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SET domain-containing protein SmydA-8, isoform A

AlphaFold DB , UniProt , Accession O46040, Species DROME (Drosophila melanogaster, Fruit fly), Gene SmydA-8, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.7	Very low	26.2	Very low	137 Å²	137	95.6 Å²	95.6	68%	0.675	54%	0.54	S	S	*	.				0	112.7	0	-79	-173.5	177.1	0	0	108.4	T3 K288 L453	M1-T3 PolarHBondContact O-N 3.15Å; M1-K288 HydrophobicContact SD-CD 4.4Å; M1-L453 HydrophobicContact CE-CD1 3.91Å; M1-L453 HydrophobicContact CE-CD2 4.07Å; M1-L453 HydrophobicContact CE-CG 4.44Å
2	S	25.8	Very low	26.4	Very low	37 Å²	37	98.9 Å²	98.9	26%	0.259	57%	0.568	S	S	.	*			trans	-67.8	109	168.2	176.9	0	0	0	0	108.2	E228 F262	S2-E228 WeakPolarHBondContact CA-O 3.5Å; S2-E228 WeakPolarHBondContact CB-O 3.44Å; S2-E228 PolarHBondContact OG-N 3.36Å; S2-E228 PolarHBondContact OG-O 2.97Å; S2-F262 VanDerWaalsContact CB-CE2 3.48Å
3	T	25.9	Very low	26.7	Very low	34 Å²	34	96.8 Å²	96.8	21%	0.209	58%	0.581	C	S	.	*			trans	-90.9	112.9	174.2	53.3	0	0	0	0	107	M1 A5 Q6 E228	M1-T3 PolarHBondContact O-N 3.15Å; T3-A5 PolarHBondContact O-N 3.24Å; T3-Q6 HydrophobicContact CG2-CG 4.49Å; T3-Q6 VanDerWaalsContact CG2-NE2 3.31Å; T3-E228 PolarHBondContact OG1-OE2 2.94Å
4	A	26.5	Very low	26.7	Very low	27 Å²	27	95.6 Å²	95.6	22%	0.223	60%	0.598	C	S	.	*			trans	-48.1	127.4	158	0	0	0	0	0	107.2	Q6	A4-Q6 PolarHBondContact O-N 3.18Å; A4-Q6 VanDerWaalsContact O-N 3.09Å
5	A	26.1	Very low	26.6	Very low	52 Å²	52	95.1 Å²	95.1	43%	0.43	62%	0.619	S	S	.	*			trans	-33.4	113.2	-166.3	0	0	0	0	0	112.4	T3 C7	T3-A5 PolarHBondContact O-N 3.24Å; A5-C7 PolarHBondContact O-N 3.18Å
6	Q	26.4	Very low	26.6	Very low	120 Å²	120	94.6 Å²	94.6	56%	0.561	64%	0.636	S	S	*	*			trans	-70	93	178.9	-68.5	-179.4	10.4	0	0	109.1	T3 A4	T3-Q6 HydrophobicContact CG2-CG 4.49Å; T3-Q6 VanDerWaalsContact CG2-NE2 3.31Å; A4-Q6 PolarHBondContact O-N 3.18Å; A4-Q6 VanDerWaalsContact O-N 3.09Å
7	C	25.5	Very low	26.6	Very low	103 Å²	103	93.1 Å²	93.1	70%	0.696	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-73.6	131.9	152	-85.7	0	0	0	0	108	A5	A5-C7 PolarHBondContact O-N 3.18Å
8	P	24.1	Very low	26.6	Very low	110 Å²	110	97.6 Å²	97.6	71%	0.714	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-61.2	145.6	173.4	26.7	-31.8	0	0	0	109.3
9	P	26.7	Very low	26.6	Very low	107 Å²	107	98.6 Å²	98.6	70%	0.695	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-60.6	137.3	177	25.9	-32.5	0	0	0	109.3	R11	P9-R11 PolarHBondContact O-N 3.31Å
10	P	27.6	Very low	26.8	Very low	91 Å²	91	98.8 Å²	98.8	59%	0.591	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-67.3	135.9	175.3	28.6	-30.5	0	0	0	108.5	M302	P10-M302 HydrophobicContact CG-CE 3.84Å
11	R	26.3	Very low	26.9	Very low	234 Å²	234	101.6 Å²	101.6	88%	0.883	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60.8	139.6	169.6	-68.1	-175.8	-178.8	-162.5	0	108.6	P9 G13	P9-R11 PolarHBondContact O-N 3.31Å; R11-G13 PolarHBondContact O-N 3.23Å
12	P	29	Very low	27.1	Very low	135 Å²	135	99.7 Å²	99.7	88%	0.877	67%	0.673	S	S	*	*			trans	-67.5	100.3	175.5	26.9	-30.6	0	0	0	108.8
13	G	29.4	Very low	27.2	Very low	72 Å²	72	101.4 Å²	101.4	74%	0.742	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-78.3	133.3	166.7	0	0	0	0	0	109.7	R11	R11-G13 PolarHBondContact O-N 3.23Å
14	G	27.1	Very low	27.4	Very low	80 Å²	80	106.3 Å²	106.3	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-54.2	149.1	-175.3	0	0	0	0	0	114.5
15	G	25.7	Very low	27.6	Very low	88 Å²	88	110.5 Å²	110.5	91%	0.907	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62.2	154.8	-174.4	0	0	0	0	0	115.1
16	G	25.7	Very low	27.7	Very low	86 Å²	86	111.8 Å²	111.8	89%	0.887	75%	0.751	S	S	*	*			trans	161.5	102.4	170.1	0	0	0	0	0	110.3
17	G	27.3	Very low	28	Very low	70 Å²	70	111.2 Å²	111.2	72%	0.722	75%	0.748	S	S	*	*			trans	133.1	76.6	164.1	0	0	0	0	0	115.6	T19	G17-T19 PolarHBondContact O-N 3.09Å
18	D	26.3	Very low	28.6	Very low	173 Å²	173	111.6 Å²	111.6	93%	0.925	74%	0.741	S	S	*	*			trans	-61.4	95.4	156	-90.4	-36.5	0	0	0	109.3
19	T	27.2	Very low	29.1	Very low	117 Å²	117	108.7 Å²	108.7	72%	0.718	73%	0.726	S	S	*	*			trans	-147.6	110.5	158.1	33.7	0	0	0	0	110	G17	G17-T19 PolarHBondContact O-N 3.09Å
20	T	29.7	Very low	29.8	Very low	102 Å²	102	106.8 Å²	106.8	63%	0.626	71%	0.714	S	S	*	*			trans	69.9	71.3	159.1	61.6	0	0	0	0	118.9	A22 A23	T20-A22 PolarHBondContact O-N 3.29Å; T20-A23 PolarHBondContact O-N 3.25Å
21	L	29.3	Very low	30.8	Very low	158 Å²	158	104.4 Å²	104.4	83%	0.827	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-68.3	-15.2	158.9	-125.9	119.6	0	0	0	112.9	A23	L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 2.87Å
22	A	31.5	Very low	32.3	Very low	98 Å²	98	103.5 Å²	103.5	81%	0.81	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-75.2	-10.7	176	0	0	0	0	0	114.3	T20	T20-A22 PolarHBondContact O-N 3.29Å
23	A	28.9	Very low	34.3	Very low	73 Å²	73	104.4 Å²	104.4	60%	0.603	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-97.9	4.4	-179.8	0	0	0	0	0	113.9	T20 L21	T20-A23 PolarHBondContact O-N 3.25Å; L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 2.87Å
24	L	29.6	Very low	37	Very low	137 Å²	137	102.1 Å²	102.1	72%	0.717	67%	0.665	S	S	*	*	S	Bend	trans	-103.4	-2.9	-175.7	-82.4	157	0	0	0	114.5
25	S	31	Very low	40	Very low	114 Å²	114	101.1 Å²	101.1	80%	0.797	64%	0.643	S	S	*	*	S	Bend	trans	-89.6	5	-178.6	-64	0	0	0	0	115.5
26	A	28.7	Very low	43.2	Very low	79 Å²	79	97.7 Å²	97.7	65%	0.653	60%	0.604	S	S	*	*	S	Bend	trans	-101	9.6	-170.4	0	0	0	0	0	116.2
27	H	32.5	Very low	46.3	Very low	108 Å²	108	98.7 Å²	98.7	50%	0.5	59%	0.586	S	S	.	*			trans	-130.7	15.7	-172.9	-81.7	-22	0	0	0	117.3	A29 A186	H27-A29 PolarHBondContact O-N 3.33Å; H27-A186 HydrophobicContact CB-CB 4.11Å
28	M	36.3	Very low	49.5	Very low	112 Å²	112	99.2 Å²	99.2	55%	0.552	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	68.8	154.7	-63	-168.5	88.6	0	0	108.7	P30	M28-P30 WeakPolarHBondContact O-CD 3.43Å
29	A	35.2	Very low	52.7	Low	48 Å²	48	91 Å²	91	40%	0.397	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	103.3	172.7	0	0	0	0	0	108.6	H27 C31 R217	H27-A29 PolarHBondContact O-N 3.33Å; A29-C31 PolarHBondContact O-N 2.96Å; A29-R217 PolarHBondContact O-NH1 2.97Å
30	P	41.9	Very low	56	Low	68 Å²	68	86.3 Å²	86.3	44%	0.442	50%	0.499	S	S	.	.			trans	-50.5	139	145.9	24.2	-30.7	0	0	0	107.2	M28 R32	M28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-R32 PolarHBondContact O-N 3.08Å
31	C	48.3	Very low	59.1	Low	40 Å²	40	87.5 Å²	87.5	27%	0.27	50%	0.497	S	S	.	.			trans	-63.3	107.4	172.9	-162.6	0	0	0	0	107.3	A29 D180 R217	A29-C31 PolarHBondContact O-N 2.96Å; C31-D180 WeakPolarHBondContact CB-O 3.36Å; C31-R217 VanDerWaalsContact CB-NH2 3.35Å; C31-R217 VanDerWaalsContact N-NH2 3.11Å
32	R	58.2	Low	62.3	Low	215 Å²	215	80.8 Å²	80.8	81%	0.811	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	25.5	98.4	148.1	-59.7	-179.9	179.8	-174	-1.1	113.4	P30 T34	P30-R32 PolarHBondContact O-N 3.08Å; R32-T34 PolarHBondContact O-N 3.33Å
33	D	70	Confident	65.4	Low	155 Å²	155	76.1 Å²	76.1	83%	0.829	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	7.8	157.4	-46.3	-32.2	0	0	0	118.8	T35 Q38	D33-T35 PolarHBondContact O-N 3.49Å; D33-Q38 PolarHBondContact O-OE1 2.92Å
34	T	87.1	Confident	68.7	Low	23 Å²	23	75.3 Å²	75.3	14%	0.141	41%	0.409	C	S	.	.			trans	-79.5	104	171.4	-52.2	0	0	0	0	110.8	R32 Q38 L39 L42 H177 A181	R32-T34 PolarHBondContact O-N 3.33Å; T34-Q38 HydrophobicContact CG2-CB 3.76Å; T34-L39 HydrophobicContact CG2-CB 4.39Å; T34-L42 HydrophobicContact CG2-CD1 4.47Å; T34-H177 PolarHBondContact OG1-NE2 3.4Å; T34-A181 HydrophobicContact CG2-CB 3.86Å
35	T	90.7	Very high	71.8	Confident	59 Å²	59	72.6 Å²	72.6	36%	0.362	40%	0.398	S	S	.	.			trans	-63.5	158.2	176	59.3	0	0	0	0	112	D33 E37 Q38 L39	D33-T35 PolarHBondContact O-N 3.49Å; T35-E37 WeakPolarHBondContact CB-OE2 3.49Å; T35-E37 PolarHBondContact O-N 3.23Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.4Å; T35-Q38 VanDerWaalsContact OG1-CD 3.29Å; T35-Q38 VanDerWaalsContact OG1-CG 3.25Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.47Å; T35-Q38 PolarHBondContact OG1-N 3.28Å; T35-Q38 PolarHBondContact OG1-OE1 3.2Å; T35-L39 PolarHBondContact O-N 3.11Å
36	P	91.3	Very high	75	Confident	16 Å²	16	68.6 Å²	68.6	10%	0.104	37%	0.367	C	S	.	.	H	α-helix	trans	-53.1	-37.3	172.6	-23.2	31.6	0	0	0	113.2	L39 A40 I59 S61 R67	P36-L39 PolarHBondContact O-N 2.82Å; P36-A40 WeakPolarHBondContact O-CB 3.25Å; P36-A40 PolarHBondContact O-N 3Å; P36-I59 HydrophobicContact CB-CG2 4.28Å; P36-S61 WeakPolarHBondContact CG-OG 3.43Å; P36-R67 HydrophobicContact CG-CG 4.34Å
37	E	92.4	Very high	78.3	Confident	108 Å²	108	65.1 Å²	65.1	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-43.9	179.8	-63.5	71.4	-156.3	0	0	111.5	T35 L39 A40 Q41	T35-E37 WeakPolarHBondContact CB-OE2 3.49Å; T35-E37 PolarHBondContact O-N 3.23Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-A40 WeakPolarHBondContact O-CB 3.44Å; E37-A40 PolarHBondContact O-N 3.44Å; E37-Q41 WeakPolarHBondContact O-CG 3.43Å; E37-Q41 PolarHBondContact O-N 2.77Å; E37-Q41 VanDerWaalsContact O-N 3.09Å
38	Q	93.6	Very high	81.3	Confident	80 Å²	80	62.2 Å²	62.2	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-38.1	174.3	-73.4	165.3	-36.2	0	0	111.6	D33 T34 T35 A40 Q41 L42	D33-Q38 PolarHBondContact O-OE1 2.92Å; T34-Q38 HydrophobicContact CG2-CB 3.76Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.4Å; T35-Q38 VanDerWaalsContact OG1-CD 3.29Å; T35-Q38 VanDerWaalsContact OG1-CG 3.25Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.47Å; T35-Q38 PolarHBondContact OG1-N 3.28Å; T35-Q38 PolarHBondContact OG1-OE1 3.2Å; Q38-A40 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 3.43Å; Q38-L42 WeakPolarHBondContact O-CG 3.43Å; Q38-L42 PolarHBondContact O-N 3.27Å; Q38-L42 VanDerWaalsContact O-N 3.08Å
39	L	94.4	Very high	84.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174.6	-178.2	60	0	0	0	111.1	T34 T35 P36 E37 Q41 L42 I43 I59 L178 A181 I249	T34-L39 HydrophobicContact CG2-CB 4.39Å; T35-L39 PolarHBondContact O-N 3.11Å; P36-L39 PolarHBondContact O-N 2.82Å; E37-L39 VanDerWaalsContact C-N 3.32Å; L39-Q41 VanDerWaalsContact C-N 3.29Å; L39-Q41 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.49Å; L39-I43 HydrophobicContact CD1-CG1 4.39Å; L39-I43 HydrophobicContact CG-CG1 4.45Å; L39-I43 VanDerWaalsContact O-CG1 3.3Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 3.32Å; L39-I59 HydrophobicContact CD2-CG2 4.36Å; L39-L178 HydrophobicContact CD1-CD1 3.57Å; L39-A181 HydrophobicContact CD1-CB 4.07Å; L39-I249 HydrophobicContact CD1-CD1 4.25Å; L39-I249 HydrophobicContact CD2-CD1 3.53Å; L39-I249 HydrophobicContact CD2-CG1 4.14Å; L39-I249 HydrophobicContact CG-CD1 3.92Å
40	A	94.9	Very high	87.2	Confident	19 Å²	19	62.1 Å²	62.1	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-42.9	175.7	0	0	0	0	0	111.7	P36 E37 Q38 I43 D44 I59	P36-A40 WeakPolarHBondContact O-CB 3.25Å; P36-A40 PolarHBondContact O-N 3Å; E37-A40 WeakPolarHBondContact O-CB 3.44Å; E37-A40 PolarHBondContact O-N 3.44Å; Q38-A40 VanDerWaalsContact C-N 3.34Å; A40-I43 PolarHBondContact O-N 3.39Å; A40-D44 PolarHBondContact O-N 3.27Å; A40-I59 HydrophobicContact CB-CB 4.18Å
41	Q	95.1	Very high	89.8	Confident	127 Å²	127	62.3 Å²	62.3	59%	0.593	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-44.4	175.8	-68.9	170.5	-3.7	0	0	112.4	E37 Q38 L39 I43 D44 V45	E37-Q41 WeakPolarHBondContact O-CG 3.43Å; E37-Q41 PolarHBondContact O-N 2.77Å; E37-Q41 VanDerWaalsContact O-N 3.09Å; Q38-Q41 PolarHBondContact O-N 3.43Å; L39-Q41 VanDerWaalsContact C-N 3.29Å; L39-Q41 PolarHBondContact O-N 3.39Å; Q41-I43 VanDerWaalsContact C-N 3.3Å; Q41-I43 PolarHBondContact O-N 2.91Å; Q41-D44 PolarHBondContact O-N 2.89Å; Q41-V45 WeakPolarHBondContact O-CG2 3.38Å; Q41-V45 PolarHBondContact O-N 3.03Å; Q41-V45 VanDerWaalsContact O-N 3.11Å
42	L	96.7	Very high	92	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-37	176.9	-69.4	169.8	0	0	0	112	T34 Q38 L39 H46 E174 H177 L178 A181	T34-L42 HydrophobicContact CG2-CD1 4.47Å; Q38-L42 WeakPolarHBondContact O-CG 3.43Å; Q38-L42 PolarHBondContact O-N 3.27Å; Q38-L42 VanDerWaalsContact O-N 3.08Å; L39-L42 PolarHBondContact O-N 3.49Å; L42-H46 WeakPolarHBondContact O-CB 3.46Å; L42-H46 PolarHBondContact O-N 2.93Å; L42-E174 HydrophobicContact CD2-CB 4.31Å; L42-H177 HydrophobicContact CD1-CB 4.46Å; L42-H177 HydrophobicContact CD2-CB 4.36Å; L42-L178 HydrophobicContact CB-CB 4.21Å; L42-L178 HydrophobicContact CB-CD1 3.92Å; L42-L178 HydrophobicContact CB-CG 4.5Å; L42-A181 HydrophobicContact CD1-CB 4.44Å
43	I	97.5	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-43.7	174.6	-68.4	-65.4	0	0	0	111.1	L39 A40 Q41 V45 H46 L47 W57 I59 L178 P245 L246 I249	L39-I43 HydrophobicContact CD1-CG1 4.39Å; L39-I43 HydrophobicContact CG-CG1 4.45Å; L39-I43 VanDerWaalsContact O-CG1 3.3Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 3.32Å; A40-I43 PolarHBondContact O-N 3.39Å; Q41-I43 VanDerWaalsContact C-N 3.3Å; Q41-I43 PolarHBondContact O-N 2.91Å; I43-V45 VanDerWaalsContact C-N 3.3Å; I43-V45 PolarHBondContact O-N 3.49Å; I43-H46 WeakPolarHBondContact O-CB 3.3Å; I43-H46 PolarHBondContact O-N 3.08Å; I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 HydrophobicContact CG2-CG 4.1Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.68Å; I43-W57 HydrophobicContact CG2-CH2 3.85Å; I43-W57 HydrophobicContact CG2-CZ3 4.4Å; I43-I59 HydrophobicContact CB-CD1 4.15Å; I43-I59 HydrophobicContact CG1-CD1 3.71Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; I43-L178 HydrophobicContact CD1-CD1 3.73Å; I43-L178 HydrophobicContact CD1-CD2 4.16Å; I43-L178 HydrophobicContact CG1-CD1 4.23Å; I43-P245 HydrophobicContact CD1-CB 3.46Å; I43-P245 VanDerWaalsContact CD1-CB 3.46Å; I43-L246 HydrophobicContact CD1-CB 4.12Å; I43-L246 HydrophobicContact CG2-CB 3.94Å; I43-L246 HydrophobicContact CG2-CD1 4.2Å; I43-L246 HydrophobicContact CG2-CD2 4.14Å; I43-L246 HydrophobicContact CG2-CG 4.31Å; I43-I249 HydrophobicContact CD1-CD1 4.08Å; I43-I249 HydrophobicContact CG1-CD1 4.14Å
44	D	96.5	Very high	94.9	Very high	55 Å²	55	62.8 Å²	62.8	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-43	178.6	-76.2	-7.3	0	0	0	111.5	A40 Q41 L47 G48 R51	A40-D44 PolarHBondContact O-N 3.27Å; Q41-D44 PolarHBondContact O-N 2.89Å; D44-L47 PolarHBondContact O-N 3.38Å; D44-G48 PolarHBondContact O-N 3.46Å; D44-R51 VanDerWaalsContact CG-NH2 3.31Å; D44-R51 IonicContact OD1-CZ 3.3Å; D44-R51 VanDerWaalsContact OD1-CZ 3.3Å; D44-R51 IonicContact OD1-NE 2.68Å; D44-R51 PolarHBondContact OD1-NE 2.87Å; D44-R51 IonicContact OD1-NH2 3.08Å; D44-R51 PolarHBondContact OD1-NH2 3.13Å; D44-R51 VanDerWaalsContact OD1-NH2 3.08Å; D44-R51 IonicContact OD2-CZ 3.68Å; D44-R51 IonicContact OD2-NE 3.77Å; D44-R51 IonicContact OD2-NH2 2.91Å; D44-R51 PolarHBondContact OD2-NH2 2.88Å
45	V	96.6	Very high	95.4	Very high	80 Å²	80	62.8 Å²	62.8	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-43.8	172.7	174.8	0	0	0	0	111.3	Q41 I43 L47 G48 E174	Q41-V45 WeakPolarHBondContact O-CG2 3.38Å; Q41-V45 PolarHBondContact O-N 3.03Å; Q41-V45 VanDerWaalsContact O-N 3.11Å; I43-V45 VanDerWaalsContact C-N 3.3Å; I43-V45 PolarHBondContact O-N 3.49Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-G48 PolarHBondContact O-N 2.87Å; V45-E174 WeakPolarHBondContact CG1-OE2 3.08Å
46	H	97.8	Very high	95.7	Very high	31 Å²	31	60.1 Å²	60.1	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-40	-179.4	174	35.6	0	0	0	113	L42 I43 G48 E84 R85 L178	L42-H46 WeakPolarHBondContact O-CB 3.46Å; L42-H46 PolarHBondContact O-N 2.93Å; I43-H46 WeakPolarHBondContact O-CB 3.3Å; I43-H46 PolarHBondContact O-N 3.08Å; H46-G48 VanDerWaalsContact C-N 3.28Å; H46-G48 PolarHBondContact O-N 3.05Å; H46-E84 IonicContact CD2-OE1 2.87Å; H46-E84 IonicContact NE2-OE1 3.82Å; H46-E84 PolarHBondContact NE2-OE1 3.4Å; H46-R85 PolarHBondContact CE1-O 3.47Å; H46-R85 PolarHBondContact NE2-O 3.43Å; H46-R85 VanDerWaalsContact NE2-O 3.17Å; H46-L178 HydrophobicContact CB-CD2 3.64Å
47	L	97.9	Very high	96.1	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-30.7	-178.2	-72	174.2	0	0	0	112.5	I43 D44 V45 D49 L50 R51 W57 Q83 E84 L246	I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 HydrophobicContact CG2-CG 4.1Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.68Å; D44-L47 PolarHBondContact O-N 3.38Å; V45-L47 PolarHBondContact O-N 3.43Å; L47-D49 PolarHBondContact O-N 3.28Å; L47-D49 VanDerWaalsContact O-N 3.16Å; L47-L50 WeakPolarHBondContact O-CB 3.25Å; L47-L50 PolarHBondContact O-N 3.16Å; L47-R51 HydrophobicContact CB-CB 3.88Å; L47-W57 HydrophobicContact CD1-CH2 3.81Å; L47-W57 HydrophobicContact CD1-CZ2 3.58Å; L47-Q83 WeakPolarHBondContact CD2-O 3.49Å; L47-E84 HydrophobicContact CD2-CB 4.06Å; L47-E84 HydrophobicContact CD2-CG 4.15Å; L47-L246 HydrophobicContact CD1-CD2 4.02Å; L47-L246 HydrophobicContact CD2-CD2 4.24Å
48	G	96.1	Very high	96.3	Very high	46 Å²	46	57.6 Å²	57.6	47%	0.474	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	53.1	-118.9	175.4	0	0	0	0	0	112.4	D44 V45 H46 L50 R51	D44-G48 PolarHBondContact O-N 3.46Å; V45-G48 PolarHBondContact O-N 2.87Å; H46-G48 VanDerWaalsContact C-N 3.28Å; H46-G48 PolarHBondContact O-N 3.05Å; G48-L50 PolarHBondContact O-N 3.19Å; G48-R51 WeakPolarHBondContact O-CB 3.49Å; G48-R51 PolarHBondContact O-N 2.93Å
49	D	96.3	Very high	96.5	Very high	123 Å²	123	54.1 Å²	54.1	66%	0.658	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.8	179.1	62.9	-48.4	0	0	0	113.9	L47 R51 R85	L47-D49 PolarHBondContact O-N 3.28Å; L47-D49 VanDerWaalsContact O-N 3.16Å; D49-R51 VanDerWaalsContact C-N 3.32Å; D49-R85 IonicContact OD1-NE 3.88Å; D49-R85 IonicContact OD1-NH2 3.5Å; D49-R85 IonicContact OD2-CZ 3.6Å; D49-R85 IonicContact OD2-NE 2.75Å; D49-R85 IonicContact OD2-NH2 3.19Å; D49-R85 PolarHBondContact OD2-NH2 3.16Å
50	L	97.6	Very high	96.5	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.183	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-85.4	-4.5	178.8	-61.1	-177.6	0	0	0	113.4	L47 G48 Q52 Q83 R85 L267	L47-L50 WeakPolarHBondContact O-CB 3.25Å; L47-L50 PolarHBondContact O-N 3.16Å; G48-L50 PolarHBondContact O-N 3.19Å; L50-Q52 PolarHBondContact O-N 3.45Å; L50-Q52 VanDerWaalsContact O-N 3.16Å; L50-Q83 HydrophobicContact CD1-CB 4.22Å; L50-R85 HydrophobicContact CD1-CG 3.72Å; L50-L267 HydrophobicContact CD1-CD1 3.56Å
51	R	96.8	Very high	96.4	Very high	73 Å²	73	59 Å²	59	28%	0.275	32%	0.317	S	S	.	.			trans	-72.8	109.5	178.1	-175.7	48	165.2	64.3	9.5	110.2	D44 L47 G48 D49 P55	D44-R51 VanDerWaalsContact CG-NH2 3.31Å; D44-R51 IonicContact OD1-CZ 3.3Å; D44-R51 VanDerWaalsContact OD1-CZ 3.3Å; D44-R51 IonicContact OD1-NE 2.68Å; D44-R51 PolarHBondContact OD1-NE 2.87Å; D44-R51 IonicContact OD1-NH2 3.08Å; D44-R51 PolarHBondContact OD1-NH2 3.13Å; D44-R51 VanDerWaalsContact OD1-NH2 3.08Å; D44-R51 IonicContact OD2-CZ 3.68Å; D44-R51 IonicContact OD2-NE 3.77Å; D44-R51 IonicContact OD2-NH2 2.91Å; D44-R51 PolarHBondContact OD2-NH2 2.88Å; L47-R51 HydrophobicContact CB-CB 3.88Å; G48-R51 WeakPolarHBondContact O-CB 3.49Å; G48-R51 PolarHBondContact O-N 2.93Å; D49-R51 VanDerWaalsContact C-N 3.32Å; R51-P55 VanDerWaalsContact NH1-CG 3.3Å
52	Q	94.7	Very high	96.2	Very high	61 Å²	61	53.5 Å²	53.5	29%	0.285	29%	0.292	S	S	.	.			trans	-57.9	143.4	173.5	-66	173.1	-18.9	0	0	111	L50 Q54 I81	L50-Q52 PolarHBondContact O-N 3.45Å; L50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-Q54 VanDerWaalsContact C-N 3.34Å; Q52-Q54 PolarHBondContact O-N 3Å; Q52-I81 PolarHBondContact NE2-O 3.34Å; Q52-I81 PolarHBondContact OE1-O 2.8Å
53	E	93.9	Very high	95.5	Very high	189 Å²	189	59.4 Å²	59.4	88%	0.883	33%	0.33	S	S	*	.	S	Bend	trans	-59.9	-44.3	177.1	-67	-177.9	173.8	0	0	112.2
54	Q	95.4	Very high	94.4	Very high	170 Å²	170	65.4 Å²	65.4	79%	0.794	37%	0.366	S	S	*	.	S	Bend	trans	-123.1	84	177	-64.5	-176	26.6	0	0	109.4	Q52 N56	Q52-Q54 VanDerWaalsContact C-N 3.34Å; Q52-Q54 PolarHBondContact O-N 3Å; Q54-N56 PolarHBondContact O-N 3.49Å
55	P	97.1	Very high	93.7	Very high	23 Å²	23	65 Å²	65	15%	0.149	37%	0.371	C	S	.	.			trans	-65.1	135.8	-178	27.9	-34.6	0	0	0	109.6	R51 W57 T72	R51-P55 VanDerWaalsContact NH1-CG 3.3Å; P55-W57 HydrophobicContact CB-CD2 4.35Å; P55-W57 HydrophobicContact CB-CG 4.37Å; P55-W57 HydrophobicContact CB-CZ2 4.36Å; P55-W57 PolarHBondContact O-N 3.02Å; P55-W57 VanDerWaalsContact O-N 3.16Å; P55-T72 PolarHBondContact O-OG1 3.48Å
56	N	98.1	Very high	93.4	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.011	37%	0.371	C	S	.	.	S	Bend	trans	-75.9	9.4	173.7	61.4	10.1	0	0	0	112.6	Q54 A71 T72 R73 I75 E79 L80 I81	Q54-N56 PolarHBondContact O-N 3.49Å; N56-A71 CarbonylContact O-C 3.56Å; N56-A71 WeakPolarHBondContact O-CA 2.93Å; N56-T72 VanDerWaalsContact CA-OG1 3.22Å; N56-T72 WeakPolarHBondContact CA-OG1 3.39Å; N56-T72 PolarHBondContact O-N 2.85Å; N56-T72 PolarHBondContact O-OG1 3.17Å; N56-R73 HydrophobicContact CB-CG 4.2Å; N56-I75 HydrophobicContact CB-CD1 4.08Å; N56-I75 HydrophobicContact CB-CG1 4.16Å; N56-E79 PolarHBondContact ND2-OE1 3.5Å; N56-L80 PolarHBondContact ND2-O 3.1Å; N56-I81 PolarHBondContact OD1-O 3.37Å; N56-I81 VanDerWaalsContact OD1-O 3.11Å
57	W	98	Very high	93.1	Very high	10 Å²	10	64 Å²	64	4%	0.038	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	161	-178.2	61.7	-89.9	0	0	0	112	I43 L47 P55 I59 V69 F70 I81 F82 L246 I282	I43-W57 HydrophobicContact CG2-CH2 3.85Å; I43-W57 HydrophobicContact CG2-CZ3 4.4Å; L47-W57 HydrophobicContact CD1-CH2 3.81Å; L47-W57 HydrophobicContact CD1-CZ2 3.58Å; P55-W57 HydrophobicContact CB-CD2 4.35Å; P55-W57 HydrophobicContact CB-CG 4.37Å; P55-W57 HydrophobicContact CB-CZ2 4.36Å; P55-W57 PolarHBondContact O-N 3.02Å; P55-W57 VanDerWaalsContact O-N 3.16Å; W57-I59 HydrophobicContact CZ3-CD1 4.21Å; W57-I59 HydrophobicContact CZ3-CG1 4.18Å; W57-V69 HydrophobicContact CB-CG1 3.87Å; W57-V69 HydrophobicContact CD2-CG1 4.47Å; W57-V69 HydrophobicContact CE3-CG1 4.13Å; W57-V69 HydrophobicContact CG-CG1 4.39Å; W57-F70 CarbonylContact C-O 3.51Å; W57-F70 WeakPolarHBondContact CA-O 3.25Å; W57-I81 HydrophobicContact CB-CG2 4.15Å; W57-I81 HydrophobicContact CG-CG2 4.27Å; W57-F82 AromaticContact CD1-CD1 3.92Å; W57-F82 HydrophobicContact CD2-CD1 4.39Å; W57-F82 HydrophobicContact CG-CD1 4.22Å; W57-F82 AromaticContact NE1-CD1 3.93Å; W57-L246 HydrophobicContact CD2-CD2 4.42Å; W57-L246 HydrophobicContact CE3-CD1 3.9Å; W57-L246 HydrophobicContact CE3-CD2 4.45Å; W57-L246 HydrophobicContact CH2-CD1 3.93Å; W57-L246 HydrophobicContact CH2-CD2 3.55Å; W57-L246 HydrophobicContact CH2-CG 4.4Å; W57-L246 HydrophobicContact CZ2-CD2 3.46Å; W57-L246 VanDerWaalsContact CZ2-CD2 3.46Å; W57-L246 HydrophobicContact CZ3-CD1 3.58Å; W57-L246 HydrophobicContact CZ3-CD2 4.05Å; W57-L246 HydrophobicContact CZ3-CG 4.49Å; W57-I282 HydrophobicContact CB-CD1 3.74Å
58	T	97.5	Very high	93	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.38	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159	172.7	-169.3	0	0	0	0	110.5	V69 F70 T72	T58-V69 CarbonylContact O-C 3.48Å; T58-V69 WeakPolarHBondContact O-CA 3.33Å; T58-F70 HydrophobicContact CG2-CB 4.21Å; T58-F70 PolarHBondContact N-O 3.29Å; T58-F70 PolarHBondContact O-N 2.93Å; T58-T72 HydrophobicContact CG2-CG2 3.95Å
59	I	96.8	Very high	93.1	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.036	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.7	173.7	-69.2	162.9	0	0	0	108.8	P36 L39 A40 I43 W57 G68 L246 I249	P36-I59 HydrophobicContact CB-CG2 4.28Å; L39-I59 HydrophobicContact CD2-CG2 4.36Å; A40-I59 HydrophobicContact CB-CB 4.18Å; I43-I59 HydrophobicContact CB-CD1 4.15Å; I43-I59 HydrophobicContact CG1-CD1 3.71Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; W57-I59 HydrophobicContact CZ3-CD1 4.21Å; W57-I59 HydrophobicContact CZ3-CG1 4.18Å; I59-G68 WeakPolarHBondContact CA-O 3.37Å; I59-L246 HydrophobicContact CD1-CD1 4.04Å; I59-L246 HydrophobicContact CG1-CD1 4.34Å; I59-I249 HydrophobicContact CD1-CD1 3.84Å
60	S	95	Very high	93.2	Very high	47 Å²	47	57.2 Å²	57.2	33%	0.329	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	178.8	177.9	-167.7	0	0	0	0	111.3	R67 G68	S60-R67 WeakPolarHBondContact O-CA 3.44Å; S60-G68 PolarHBondContact N-O 3.35Å; S60-G68 PolarHBondContact O-N 3.47Å
61	S	93.1	Very high	93.2	Very high	75 Å²	75	55.7 Å²	55.7	52%	0.524	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130	172.2	-63.3	0	0	0	0	110.6	P36 G66	P36-S61 WeakPolarHBondContact CG-OG 3.43Å; S61-G66 CarbonylContact C-O 3.55Å; S61-G66 VanDerWaalsContact CA-O 3.25Å; S61-G66 WeakPolarHBondContact CA-O 3.39Å
62	S	90.8	Very high	93.3	Very high	10 Å²	10	54.9 Å²	54.9	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.7	168.7	175.3	0	0	0	0	109.6	V64 A65 G66 E281	S62-V64 PolarHBondContact O-N 2.83Å; S62-V64 PolarHBondContact OG-N 2.81Å; S62-A65 PolarHBondContact OG-N 3.3Å; S62-G66 PolarHBondContact N-O 3.02Å; S62-G66 PolarHBondContact O-N 2.75Å; S62-E281 PolarHBondContact OG-OE2 3.35Å; S62-E281 VanDerWaalsContact OG-OE2 3.12Å
63	T	81.7	Confident	93.5	Very high	143 Å²	143	57 Å²	57	88%	0.877	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.1	179.6	53.1	0	0	0	0	113.1
64	V	75.8	Confident	93.7	Very high	125 Å²	125	53.2 Å²	53.2	76%	0.758	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-22.6	-174.8	-69	0	0	0	0	113.9	S62	S62-V64 PolarHBondContact O-N 2.83Å; S62-V64 PolarHBondContact OG-N 2.81Å
65	A	81.6	Confident	93.9	Very high	48 Å²	48	45.3 Å²	45.3	40%	0.397	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	12.8	-167.6	0	0	0	0	0	114.9	S62 R67 N251	S62-A65 PolarHBondContact OG-N 3.3Å; A65-R67 PolarHBondContact O-N 2.88Å; A65-N251 HydrophobicContact CB-CB 4.25Å; A65-N251 VanDerWaalsContact CB-CG 3.41Å; A65-N251 WeakPolarHBondContact CB-ND2 3.41Å; A65-N251 WeakPolarHBondContact CB-OD1 3.34Å
66	G	88.9	Confident	93.9	Very high	47 Å²	47	46.8 Å²	46.8	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.6	-84.7	176.7	0	0	0	0	0	112	S61 S62	S61-G66 CarbonylContact C-O 3.55Å; S61-G66 VanDerWaalsContact CA-O 3.25Å; S61-G66 WeakPolarHBondContact CA-O 3.39Å; S62-G66 PolarHBondContact N-O 3.02Å; S62-G66 PolarHBondContact O-N 2.75Å
67	R	92.8	Very high	93.9	Very high	41 Å²	41	49 Å²	49	16%	0.155	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.7	177.2	-66.3	171.1	-63.8	-170	3.1	109.5	P36 S60 A65 A181 N251	P36-R67 HydrophobicContact CG-CG 4.34Å; S60-R67 WeakPolarHBondContact O-CA 3.44Å; A65-R67 PolarHBondContact O-N 2.88Å; R67-A181 VanDerWaalsContact CZ-O 3.24Å; R67-A181 PolarHBondContact NH1-O 3.38Å; R67-A181 PolarHBondContact NH2-O 2.83Å; R67-N251 PolarHBondContact O-ND2 3.16Å
68	G	95.7	Very high	93.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	171.3	-179.8	0	0	0	0	0	112.4	I59 S60	I59-G68 WeakPolarHBondContact CA-O 3.37Å; S60-G68 PolarHBondContact N-O 3.35Å; S60-G68 PolarHBondContact O-N 3.47Å
69	V	97.9	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.3	175.3	-171.7	0	0	0	0	107.8	W57 T58 L246 I249 M250 E281 I282	W57-V69 HydrophobicContact CB-CG1 3.87Å; W57-V69 HydrophobicContact CD2-CG1 4.47Å; W57-V69 HydrophobicContact CE3-CG1 4.13Å; W57-V69 HydrophobicContact CG-CG1 4.39Å; T58-V69 CarbonylContact O-C 3.48Å; T58-V69 WeakPolarHBondContact O-CA 3.33Å; V69-L246 HydrophobicContact CG2-CD1 4.09Å; V69-I249 HydrophobicContact CG2-CB 4.19Å; V69-I249 HydrophobicContact CG2-CG2 3.84Å; V69-M250 HydrophobicContact CB-CG 4.22Å; V69-M250 HydrophobicContact CG2-CG 3.82Å; V69-E281 CarbonylContact O-C 3.5Å; V69-E281 WeakPolarHBondContact O-CA 3.48Å; V69-E281 WeakPolarHBondContact O-CG 3.48Å; V69-I282 HydrophobicContact CB-CB 4.28Å; V69-I282 HydrophobicContact CG1-CB 4.28Å; V69-I282 HydrophobicContact CG1-CD1 3.98Å; V69-I282 PolarHBondContact O-N 2.94Å
70	F	98	Very high	93.8	Very high	33 Å²	33	50.9 Å²	50.9	15%	0.145	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.4	-173.8	-64.3	-93.2	0	0	0	111.1	W57 T58 G280 E281	W57-F70 CarbonylContact C-O 3.51Å; W57-F70 WeakPolarHBondContact CA-O 3.25Å; T58-F70 HydrophobicContact CG2-CB 4.21Å; T58-F70 PolarHBondContact N-O 3.29Å; T58-F70 PolarHBondContact O-N 2.93Å; F70-G280 WeakPolarHBondContact CA-O 3.32Å; F70-E281 HydrophobicContact CD1-CB 3.88Å; F70-E281 HydrophobicContact CD1-CG 4.24Å; F70-E281 HydrophobicContact CE1-CB 3.61Å; F70-E281 HydrophobicContact CE1-CG 3.83Å; F70-E281 HydrophobicContact CZ-CB 4.31Å; F70-E281 HydrophobicContact CZ-CG 4.03Å
71	A	98.6	Very high	94	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.025	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133	178.2	0	0	0	0	0	111.5	N56 R73 I75 I276 G279 G280 I282	N56-A71 CarbonylContact O-C 3.56Å; N56-A71 WeakPolarHBondContact O-CA 2.93Å; A71-R73 WeakPolarHBondContact CB-O 3.39Å; A71-I75 HydrophobicContact CB-CD1 3.8Å; A71-I75 HydrophobicContact CB-CG1 4.24Å; A71-I276 HydrophobicContact CB-CG2 3.9Å; A71-G279 WeakPolarHBondContact O-CA 3.46Å; A71-G279 PolarHBondContact O-N 3.34Å; A71-G280 PolarHBondContact N-O 3.4Å; A71-I282 HydrophobicContact CB-CD1 4.32Å; A71-I282 HydrophobicContact CB-CG1 4.43Å
72	T	98.2	Very high	94.3	Very high	56 Å²	56	45.3 Å²	45.3	34%	0.344	28%	0.278	S	S	.	.	S	Bend	trans	-88.4	-13.8	178	56.7	0	0	0	0	112.8	P55 N56 T58 K278	P55-T72 PolarHBondContact O-OG1 3.48Å; N56-T72 VanDerWaalsContact CA-OG1 3.22Å; N56-T72 WeakPolarHBondContact CA-OG1 3.39Å; N56-T72 PolarHBondContact O-N 2.85Å; N56-T72 PolarHBondContact O-OG1 3.17Å; T58-T72 HydrophobicContact CG2-CG2 3.95Å; T72-K278 WeakPolarHBondContact O-CD 3.43Å; T72-K278 VanDerWaalsContact O-CE 3.25Å; T72-K278 WeakPolarHBondContact O-CE 3.27Å; T72-K278 WeakPolarHBondContact O-CG 3.37Å
73	R	98.4	Very high	94.6	Very high	106 Å²	106	47.8 Å²	47.8	40%	0.4	29%	0.288	S	S	.	.	S	Bend	trans	-149.4	178.7	173.3	59.2	158.8	171.5	88.4	-4.3	109.6	N56 A71 E79	N56-R73 HydrophobicContact CB-CG 4.2Å; A71-R73 WeakPolarHBondContact CB-O 3.39Å; R73-E79 IonicContact CZ-OE1 3.91Å; R73-E79 IonicContact NH1-OE1 3.61Å; R73-E79 PolarHBondContact NH1-OE1 3.42Å; R73-E79 IonicContact NH1-OE2 3.91Å; R73-E79 PolarHBondContact NH1-OE2 2.91Å; R73-E79 VanDerWaalsContact NH1-OE2 3.12Å; R73-E79 IonicContact NH2-OE1 3.73Å; R73-E79 PolarHBondContact NH2-OE1 3.25Å
74	D	98.7	Very high	95.4	Very high	110 Å²	110	41 Å²	41	59%	0.588	25%	0.246	S	C	*	.			trans	-65.5	137.7	168	-57.2	-31.6	0	0	0	109.9	I276 P277 K278	D74-I276 CarbonylContact C-O 3.58Å; D74-I276 WeakPolarHBondContact CA-O 3.28Å; D74-P277 WeakPolarHBondContact OD1-CA 3.44Å; D74-K278 PolarHBondContact OD1-N 2.72Å
75	I	98.8	Very high	96.5	Very high	3 Å²	3	41 Å²	41	2%	0.015	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-122.8	124.5	179.3	-53.1	176.1	0	0	0	107.5	N56 A71 E79 I81 A272 D275 I276 I282	N56-I75 HydrophobicContact CB-CD1 4.08Å; N56-I75 HydrophobicContact CB-CG1 4.16Å; A71-I75 HydrophobicContact CB-CD1 3.8Å; A71-I75 HydrophobicContact CB-CG1 4.24Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; I75-E79 HydrophobicContact CG2-CG 4.31Å; I75-I81 HydrophobicContact CG2-CG1 4.49Å; I75-A272 HydrophobicContact CG2-CB 3.81Å; I75-D275 CarbonylContact O-C 3.57Å; I75-D275 WeakPolarHBondContact O-CA 3.38Å; I75-I276 HydrophobicContact CB-CB 4.17Å; I75-I276 PolarHBondContact N-O 3.09Å; I75-I276 PolarHBondContact O-N 3.02Å; I75-I282 HydrophobicContact CD1-CD1 4.15Å
76	A	98.4	Very high	97.3	Very high	54 Å²	54	39.8 Å²	39.8	45%	0.446	22%	0.222	S	C	.	.			trans	-78.3	153.4	-179.6	0	0	0	0	0	111.8	G78 E79 A272 D275	A76-G78 PolarHBondContact O-N 3.14Å; A76-E79 PolarHBondContact N-OE2 2.98Å; A76-E79 VanDerWaalsContact N-OE2 3.12Å; A76-E79 WeakPolarHBondContact O-CB 3.43Å; A76-E79 PolarHBondContact O-N 3.44Å; A76-E79 VanDerWaalsContact O-N 3.1Å; A76-A272 WeakPolarHBondContact O-CB 3.34Å; A76-D275 WeakPolarHBondContact CA-OD1 3.24Å
77	A	97.1	Very high	97.7	Very high	48 Å²	48	38.1 Å²	38.1	40%	0.397	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.7	172.3	0	0	0	0	0	111.6	E79 D275	A77-E79 PolarHBondContact O-N 3.36Å; A77-D275 PolarHBondContact N-OD1 2.65Å
78	G	95.7	Very high	97.9	Very high	22 Å²	22	36.6 Å²	36.6	23%	0.227	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-15	-177.6	0	0	0	0	0	115.2	A76 R271 A272	A76-G78 PolarHBondContact O-N 3.14Å; G78-R271 PolarHBondContact O-NH1 3.45Å; G78-A272 WeakPolarHBondContact CA-O 3.42Å; G78-A272 PolarHBondContact N-O 3.17Å
79	E	97.6	Very high	97.9	Very high	55 Å²	55	37.7 Å²	37.7	26%	0.257	20%	0.204	S	C	.	.			trans	-63	145.9	-179.5	-159.7	-168.1	133.8	0	0	111.6	N56 R73 I75 A76 A77 I81 R271 A272	N56-E79 PolarHBondContact ND2-OE1 3.5Å; R73-E79 IonicContact CZ-OE1 3.91Å; R73-E79 IonicContact NH1-OE1 3.61Å; R73-E79 PolarHBondContact NH1-OE1 3.42Å; R73-E79 IonicContact NH1-OE2 3.91Å; R73-E79 PolarHBondContact NH1-OE2 2.91Å; R73-E79 VanDerWaalsContact NH1-OE2 3.12Å; R73-E79 IonicContact NH2-OE1 3.73Å; R73-E79 PolarHBondContact NH2-OE1 3.25Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; I75-E79 HydrophobicContact CG2-CG 4.31Å; A76-E79 PolarHBondContact N-OE2 2.98Å; A76-E79 VanDerWaalsContact N-OE2 3.12Å; A76-E79 WeakPolarHBondContact O-CB 3.43Å; A76-E79 PolarHBondContact O-N 3.44Å; A76-E79 VanDerWaalsContact O-N 3.1Å; A77-E79 PolarHBondContact O-N 3.36Å; E79-I81 PolarHBondContact O-N 3.36Å; E79-R271 CarbonylContact O-C 3.6Å; E79-R271 WeakPolarHBondContact O-CA 3.5Å; E79-R271 WeakPolarHBondContact O-CB 3.13Å; E79-A272 PolarHBondContact O-N 2.93Å
80	L	98	Very high	97.7	Very high	43 Å²	43	37.7 Å²	37.7	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.4	174.1	-177.6	69.9	0	0	0	110	N56 Q83 V269 R271	N56-L80 PolarHBondContact ND2-O 3.1Å; L80-Q83 HydrophobicContact CD1-CG 3.98Å; L80-Q83 HydrophobicContact CD2-CG 4.25Å; L80-V269 HydrophobicContact CD1-CG1 3.72Å; L80-R271 HydrophobicContact CD1-CG 4.21Å
81	I	98.6	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-60.1	172.4	-51.6	-176.7	0	0	0	108.3	Q52 N56 W57 I75 E79 A258 V270 A272 I276 I282	Q52-I81 PolarHBondContact NE2-O 3.34Å; Q52-I81 PolarHBondContact OE1-O 2.8Å; N56-I81 PolarHBondContact OD1-O 3.37Å; N56-I81 VanDerWaalsContact OD1-O 3.11Å; W57-I81 HydrophobicContact CB-CG2 4.15Å; W57-I81 HydrophobicContact CG-CG2 4.27Å; I75-I81 HydrophobicContact CG2-CG1 4.49Å; E79-I81 PolarHBondContact O-N 3.36Å; I81-A258 HydrophobicContact CD1-CB 3.88Å; I81-V270 HydrophobicContact CB-CG1 4.37Å; I81-V270 HydrophobicContact CD1-CG1 4.24Å; I81-V270 PolarHBondContact N-O 2.8Å; I81-A272 HydrophobicContact CD1-CB 4.33Å; I81-A272 HydrophobicContact CG1-CB 4.45Å; I81-I276 HydrophobicContact CD1-CD1 3.93Å; I81-I282 HydrophobicContact CD1-CD1 4.43Å; I81-I282 HydrophobicContact CD1-CG2 3.71Å; I81-I282 HydrophobicContact CG2-CD1 3.8Å
82	F	98.6	Very high	96.9	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	167.8	174.8	57.3	-99.9	0	0	0	112.4	W57 E84 L246 M250 V270	W57-F82 AromaticContact CD1-CD1 3.92Å; W57-F82 HydrophobicContact CD2-CD1 4.39Å; W57-F82 HydrophobicContact CG-CD1 4.22Å; W57-F82 AromaticContact NE1-CD1 3.93Å; F82-E84 HydrophobicContact CD2-CB 4.44Å; F82-L246 HydrophobicContact CB-CD2 4.19Å; F82-L246 HydrophobicContact CD1-CD2 3.76Å; F82-L246 HydrophobicContact CD1-CG 4.2Å; F82-L246 HydrophobicContact CD2-CD2 3.56Å; F82-L246 HydrophobicContact CD2-CG 4.06Å; F82-L246 HydrophobicContact CE1-CD1 4.36Å; F82-L246 HydrophobicContact CE1-CD2 3.99Å; F82-L246 HydrophobicContact CE1-CG 3.9Å; F82-L246 HydrophobicContact CE2-CB 4.38Å; F82-L246 HydrophobicContact CE2-CD2 3.78Å; F82-L246 HydrophobicContact CE2-CG 3.71Å; F82-L246 HydrophobicContact CG-CD2 3.57Å; F82-L246 HydrophobicContact CG-CG 4.3Å; F82-L246 HydrophobicContact CZ-CD1 4.44Å; F82-L246 HydrophobicContact CZ-CD2 4Å; F82-L246 HydrophobicContact CZ-CG 3.64Å; F82-M250 HydrophobicContact CE1-SD 4.27Å; F82-M250 HydrophobicContact CZ-CE 4.11Å; F82-M250 HydrophobicContact CZ-SD 4.05Å; F82-V270 HydrophobicContact CD1-CB 4.45Å; F82-V270 HydrophobicContact CD2-CB 4.13Å; F82-V270 HydrophobicContact CD2-CG2 3.94Å; F82-V270 HydrophobicContact CE1-CB 4.15Å; F82-V270 HydrophobicContact CE1-CG1 4.19Å; F82-V270 HydrophobicContact CE1-CG2 4.32Å; F82-V270 HydrophobicContact CE2-CB 3.82Å; F82-V270 HydrophobicContact CE2-CG2 3.28Å; F82-V270 HydrophobicContact CG-CB 4.43Å; F82-V270 HydrophobicContact CZ-CB 3.81Å; F82-V270 HydrophobicContact CZ-CG1 4.07Å; F82-V270 HydrophobicContact CZ-CG2 3.49Å; F82-V270 VanDerWaalsContact CZ-CG2 3.49Å; F82-V270 PolarHBondContact N-O 2.75Å; F82-V270 PolarHBondContact O-N 3.16Å
83	Q	98.3	Very high	96.3	Very high	61 Å²	61	35 Å²	35	29%	0.285	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.1	165.6	-61.2	-179.3	-72.3	0	0	108.9	L47 L50 L80 L267 A268 V269	L47-Q83 WeakPolarHBondContact CD2-O 3.49Å; L50-Q83 HydrophobicContact CD1-CB 4.22Å; L80-Q83 HydrophobicContact CD1-CG 3.98Å; L80-Q83 HydrophobicContact CD2-CG 4.25Å; Q83-L267 HydrophobicContact CB-CD1 4.22Å; Q83-A268 CarbonylContact C-O 3.56Å; Q83-A268 VanDerWaalsContact CA-O 3.27Å; Q83-A268 WeakPolarHBondContact CA-O 3.48Å; Q83-V269 HydrophobicContact CG-CG1 4.28Å; Q83-V269 HydrophobicContact CG-CG2 4.19Å
84	E	98.4	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.4	-176.6	176.6	179.6	-148.5	0	0	111	H46 L47 F82 F244 P245 L246 T247 L267 A268	H46-E84 IonicContact CD2-OE1 2.87Å; H46-E84 IonicContact NE2-OE1 3.82Å; H46-E84 PolarHBondContact NE2-OE1 3.4Å; L47-E84 HydrophobicContact CD2-CB 4.06Å; L47-E84 HydrophobicContact CD2-CG 4.15Å; F82-E84 HydrophobicContact CD2-CB 4.44Å; E84-F244 HydrophobicContact CG-CD1 4.29Å; E84-F244 WeakPolarHBondContact O-CD1 3Å; E84-F244 WeakPolarHBondContact OE2-CB 3.33Å; E84-P245 WeakPolarHBondContact OE1-CD 3.22Å; E84-L246 WeakPolarHBondContact OE1-CB 3.22Å; E84-L246 PolarHBondContact OE1-N 3.44Å; E84-L246 PolarHBondContact OE2-N 3.29Å; E84-T247 VanDerWaalsContact OE2-CB 3.31Å; E84-T247 WeakPolarHBondContact OE2-CB 3.43Å; E84-T247 PolarHBondContact OE2-N 3.31Å; E84-T247 PolarHBondContact OE2-OG1 2.86Å; E84-L267 CarbonylContact O-C 3.58Å; E84-L267 WeakPolarHBondContact O-CA 3.23Å; E84-A268 HydrophobicContact CB-CB 4.4Å; E84-A268 PolarHBondContact N-O 2.88Å; E84-A268 PolarHBondContact O-N 3.22Å
85	R	98.1	Very high	94.5	Very high	126 Å²	126	38.4 Å²	38.4	48%	0.475	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.1	170.1	-65.9	177	-160.7	-81.7	2.8	109.2	H46 D49 L50 L87 R266 L267	H46-R85 PolarHBondContact CE1-O 3.47Å; H46-R85 PolarHBondContact NE2-O 3.43Å; H46-R85 VanDerWaalsContact NE2-O 3.17Å; D49-R85 IonicContact OD1-NE 3.88Å; D49-R85 IonicContact OD1-NH2 3.5Å; D49-R85 IonicContact OD2-CZ 3.6Å; D49-R85 IonicContact OD2-NE 2.75Å; D49-R85 IonicContact OD2-NH2 3.19Å; D49-R85 PolarHBondContact OD2-NH2 3.16Å; L50-R85 HydrophobicContact CD1-CG 3.72Å; R85-L87 PolarHBondContact O-N 3.17Å; R85-R266 CarbonylContact C-O 3.6Å; R85-R266 WeakPolarHBondContact CA-O 3.33Å; R85-L267 HydrophobicContact CG-CD1 4.02Å
86	A	97.8	Very high	93.4	Very high	22 Å²	22	41.3 Å²	41.3	18%	0.182	23%	0.232	C	C	.	.			trans	-56.6	129.5	172.7	0	0	0	0	0	110.4	V88 T89 L243 F244 R266	A86-V88 VanDerWaalsContact C-N 3.29Å; A86-T89 HydrophobicContact CB-CG2 3.37Å; A86-L243 CarbonylContact C-O 3.39Å; A86-L243 WeakPolarHBondContact CA-O 3.31Å; A86-F244 HydrophobicContact CB-CD1 4.18Å; A86-F244 HydrophobicContact CB-CE1 3.62Å; A86-F244 HydrophobicContact CB-CE2 4.12Å; A86-F244 HydrophobicContact CB-CZ 3.6Å; A86-F244 VanDerWaalsContact N-CE1 3.33Å; A86-R266 PolarHBondContact N-O 3.07Å
87	L	97.9	Very high	92.4	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	22%	0.22	C	C	.	.	S	Bend	trans	-64.6	-39.3	172.9	-179.3	61.9	0	0	0	111.2	R85 L171 Q175 L178 V179 L243 P245	R85-L87 PolarHBondContact O-N 3.17Å; L87-L171 HydrophobicContact CD1-CD1 4.47Å; L87-L171 HydrophobicContact CD2-CD1 4.3Å; L87-L171 HydrophobicContact CG-CD1 4.08Å; L87-Q175 HydrophobicContact CD1-CB 3.96Å; L87-Q175 HydrophobicContact CD1-CG 3.76Å; L87-L178 HydrophobicContact CD2-CD2 4.2Å; L87-L178 HydrophobicContact CD2-CG 4.4Å; L87-V179 HydrophobicContact CD2-CG2 3.63Å; L87-L243 HydrophobicContact CD2-CD2 4.29Å; L87-L243 PolarHBondContact N-O 3.36Å; L87-P245 HydrophobicContact CB-CG 4.08Å; L87-P245 HydrophobicContact CD2-CG 3.91Å
88	V	96.9	Very high	91.7	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.5	174.3	64.2	0	0	0	0	108.8	A86 T164 R167 V168 L222 G242 L243	A86-V88 VanDerWaalsContact C-N 3.29Å; V88-T164 HydrophobicContact CG1-CG2 4.32Å; V88-T164 HydrophobicContact CG2-CG2 4.22Å; V88-R167 HydrophobicContact CG2-CB 3.49Å; V88-R167 VanDerWaalsContact CG2-CB 3.49Å; V88-R167 HydrophobicContact CG2-CG 4.48Å; V88-V168 HydrophobicContact CG1-CG2 3.91Å; V88-L222 HydrophobicContact CG1-CD2 4.3Å; V88-G242 CarbonylContact O-C 3.57Å; V88-G242 VanDerWaalsContact O-CA 3.31Å; V88-G242 WeakPolarHBondContact O-CA 3.36Å; V88-L243 HydrophobicContact CG1-CB 3.9Å; V88-L243 PolarHBondContact O-N 3.27Å
89	T	95.5	Very high	91.2	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.135	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.9	171.7	60.6	0	0	0	0	110.6	A86 R167 R241 R266	A86-T89 HydrophobicContact CB-CG2 3.37Å; T89-R167 VanDerWaalsContact O-CD 3.25Å; T89-R167 WeakPolarHBondContact O-CD 3.34Å; T89-R167 PolarHBondContact O-NH1 3.05Å; T89-R241 CarbonylContact C-O 3.59Å; T89-R241 WeakPolarHBondContact CA-O 3.27Å; T89-R266 HydrophobicContact CG2-CG 4.41Å
90	G	93.5	Very high	91	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	175.2	169.4	0	0	0	0	0	112.3	T164 R241	G90-T164 WeakPolarHBondContact CA-OG1 3.19Å; G90-R241 PolarHBondContact N-O 3.08Å; G90-R241 PolarHBondContact O-N 2.75Å
91	P	90.6	Very high	90.8	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.104	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	150.2	-178.8	29.4	-35.7	0	0	0	111.8	A93 I102 L160 L163	P91-A93 VanDerWaalsContact C-N 3.31Å; P91-I102 HydrophobicContact CG-CG2 4.13Å; P91-L160 HydrophobicContact CB-CD1 4.49Å; P91-L160 HydrophobicContact CB-CD2 4.02Å; P91-L160 HydrophobicContact CB-CG 4.19Å; P91-L160 HydrophobicContact CG-CD1 3.57Å; P91-L160 HydrophobicContact CG-CD2 3.93Å; P91-L160 HydrophobicContact CG-CG 3.55Å; P91-L163 HydrophobicContact CG-CD2 3.99Å
92	T	89.2	Confident	90.6	Very high	18 Å²	18	38 Å²	38	11%	0.11	20%	0.201	C	C	.	.			trans	-77.9	-14.7	173.4	53.5	0	0	0	0	113.9	R94 E228 L239 R241	T92-R94 PolarHBondContact O-N 3.27Å; T92-E228 HydrophobicContact CG2-CG 3.99Å; T92-L239 HydrophobicContact CG2-CB 3.94Å; T92-L239 VanDerWaalsContact CG2-O 3.31Å; T92-L239 WeakPolarHBondContact CG2-O 3.32Å; T92-L239 PolarHBondContact N-O 3.36Å; T92-L239 PolarHBondContact OG1-O 3.19Å; T92-R241 HydrophobicContact CG2-CB 4.14Å
93	A	86.5	Confident	90.4	Very high	3 Å²	3	38 Å²	38	3%	0.025	20%	0.2	C	C	.	.			trans	54.3	31.6	-178.1	0	0	0	0	0	114.4	P91 L98 L160 R161	P91-A93 VanDerWaalsContact C-N 3.31Å; A93-L98 HydrophobicContact CB-CD2 4.49Å; A93-L160 HydrophobicContact CB-CB 3.98Å; A93-L160 HydrophobicContact CB-CD2 3.9Å; A93-L160 HydrophobicContact CB-CG 4.06Å; A93-R161 HydrophobicContact CB-CG 3.73Å
94	R	83.5	Confident	90.1	Very high	79 Å²	79	36.6 Å²	36.6	30%	0.298	20%	0.197	S	C	.	.			trans	-77.8	149.9	174	-67.1	-176.7	179.6	-164.6	2.9	110.7	T92 G96 Q97 E228	T92-R94 PolarHBondContact O-N 3.27Å; R94-G96 PolarHBondContact O-N 3.23Å; R94-Q97 HydrophobicContact CB-CB 4.36Å; R94-Q97 HydrophobicContact CB-CG 4.14Å; R94-Q97 WeakPolarHBondContact O-CB 3.41Å; R94-Q97 PolarHBondContact O-N 3.29Å; R94-E228 IonicContact CZ-OE1 2.99Å; R94-E228 IonicContact CZ-OE2 3.72Å; R94-E228 VanDerWaalsContact CZ-OE2 3.3Å; R94-E228 IonicContact NE-OE1 3.34Å; R94-E228 IonicContact NH1-OE2 3.53Å; R94-E228 IonicContact NH2-OE1 2.8Å; R94-E228 PolarHBondContact NH2-OE1 2.85Å; R94-E228 IonicContact NH2-OE2 2.8Å; R94-E228 PolarHBondContact NH2-OE2 3.15Å
95	K	75.2	Confident	89.8	Confident	208 Å²	208	36.9 Å²	36.9	90%	0.904	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	130	170.6	-74.9	-174	175.2	-175.1	0	109.1
96	G	77	Confident	89.5	Confident	63 Å²	63	35.6 Å²	35.6	65%	0.649	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-0.3	-174.6	0	0	0	0	0	115.4	R94	R94-G96 PolarHBondContact O-N 3.23Å
97	Q	77.4	Confident	89.2	Confident	43 Å²	43	38.4 Å²	38.4	20%	0.201	21%	0.213	C	C	.	.			trans	-119.1	20.7	176.9	-60.5	-74.3	-69.4	0	0	111.4	R94 T238	R94-Q97 HydrophobicContact CB-CB 4.36Å; R94-Q97 HydrophobicContact CB-CG 4.14Å; R94-Q97 WeakPolarHBondContact O-CB 3.41Å; R94-Q97 PolarHBondContact O-N 3.29Å; Q97-T238 VanDerWaalsContact OE1-CA 3.28Å; Q97-T238 PolarHBondContact OE1-OG1 3.48Å
98	L	82.2	Confident	88.9	Confident	41 Å²	41	38.4 Å²	38.4	22%	0.215	21%	0.213	C	C	.	.			trans	-97.4	-3.8	-175.9	-58.1	179.5	0	0	0	113	A93 V155 P157 L160	A93-L98 HydrophobicContact CB-CD2 4.49Å; L98-V155 HydrophobicContact CB-CB 4.27Å; L98-V155 HydrophobicContact CB-CG2 4.46Å; L98-V155 HydrophobicContact CD2-CG1 4.21Å; L98-P157 HydrophobicContact CD1-CB 4.42Å; L98-P157 HydrophobicContact CD2-CB 4.42Å; L98-L160 HydrophobicContact CD2-CD2 3.72Å
99	S	85.2	Confident	88.6	Confident	57 Å²	57	41.6 Å²	41.6	40%	0.399	23%	0.234	S	C	.	.	S	Bend	trans	-99.2	23.2	-176.1	58.6	0	0	0	0	112.9	L108	S99-L108 PolarHBondContact O-N 2.86Å
100	S	91.8	Very high	88.2	Confident	8 Å²	8	49.4 Å²	49.4	6%	0.056	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-119.5	143.3	-178.9	-35.2	0	0	0	0	110.2	I102 E106 L108 H236 T238	S100-I102 PolarHBondContact O-N 3.16Å; S100-E106 CarbonylContact C-O 3.58Å; S100-E106 WeakPolarHBondContact CA-O 3.43Å; S100-L108 VanDerWaalsContact C-CD1 3.48Å; S100-H236 PolarHBondContact OG-NE2 3.3Å; S100-T238 PolarHBondContact OG-OG1 3.02Å
101	C	94.2	Very high	87.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	30%	0.301	C	S	.	.			trans	-61.9	132	173.6	-179.1	0	0	0	0	110.4	C103 C104 H105 E106 L108 C124	C101-C103 PolarHBondContact O-N 3.5Å; C101-C104 WeakPolarHBondContact CB-SG 3.47Å; C101-H105 WeakPolarHBondContact O-CA 3.47Å; C101-H105 PolarHBondContact O-N 2.81Å; C101-H105 PolarHBondContact O-ND1 3.21Å; C101-H105 VanDerWaalsContact O-ND1 3.15Å; C101-E106 PolarHBondContact N-O 2.91Å; C101-L108 HydrophobicContact CB-CD2 3.94Å; C101-L108 HydrophobicContact CB-CG 4.26Å; C101-C124 HydrophobicContact CB-CB 4.49Å; C101-C124 PolarHBondContact SG-N 3.47Å
102	I	94.4	Very high	87.5	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.7	179.4	60.5	172	0	0	0	114.5	P91 S100 H105 L121 P122 V123 E136 L160 L163 R167	P91-I102 HydrophobicContact CG-CG2 4.13Å; S100-I102 PolarHBondContact O-N 3.16Å; I102-H105 PolarHBondContact O-CE1 3.4Å; I102-L121 HydrophobicContact CD1-CB 3.73Å; I102-L121 HydrophobicContact CD1-CD1 3.81Å; I102-L121 HydrophobicContact CD1-CD2 4.27Å; I102-L121 HydrophobicContact CD1-CG 4.14Å; I102-P122 HydrophobicContact CG2-CG 3.86Å; I102-P122 PolarHBondContact N-O 3.17Å; I102-V123 HydrophobicContact CD1-CG2 3.82Å; I102-V123 HydrophobicContact CG1-CG2 3.74Å; I102-E136 WeakPolarHBondContact CD1-OE1 3.47Å; I102-L160 HydrophobicContact CG2-CD1 3.85Å; I102-L163 HydrophobicContact CB-CD2 4Å; I102-L163 HydrophobicContact CD1-CD2 3.58Å; I102-L163 HydrophobicContact CG1-CD2 4.39Å; I102-L163 HydrophobicContact CG2-CD2 3.97Å; I102-R167 PolarHBondContact O-NH2 3.36Å
103	C	94	Very high	87.6	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.02	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-66.3	179	-55.6	0	0	0	0	111.2	C101 H105 C127 R266	C101-C103 PolarHBondContact O-N 3.5Å; C103-H105 PolarHBondContact O-CE1 3.08Å; C103-H105 PolarHBondContact O-NE2 3.43Å; C103-C127 HydrophobicContact CB-CB 3.78Å; C103-R266 PolarHBondContact O-NH2 2.98Å; C103-R266 VanDerWaalsContact O-NH2 3.17Å
104	C	92.5	Very high	87.9	Confident	33 Å²	33	58.1 Å²	58.1	22%	0.223	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.1	-176.3	68.7	0	0	0	0	114.6	C101 E106 S233	C101-C104 WeakPolarHBondContact CB-SG 3.47Å; C104-E106 HydrophobicContact CB-CG 4.5Å; C104-E106 PolarHBondContact O-N 3.2Å; C104-E106 VanDerWaalsContact O-N 3.09Å; C104-S233 WeakPolarHBondContact O-CB 3.4Å; C104-S233 PolarHBondContact O-OG 3.41Å
105	H	92.8	Very high	88.5	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.028	32%	0.317	C	S	.	.			trans	64.4	8.2	178.3	-49.4	-42	0	0	0	115.9	C101 I102 C103 C231 T238 L240 R266	C101-H105 WeakPolarHBondContact O-CA 3.47Å; C101-H105 PolarHBondContact O-N 2.81Å; C101-H105 PolarHBondContact O-ND1 3.21Å; C101-H105 VanDerWaalsContact O-ND1 3.15Å; I102-H105 PolarHBondContact O-CE1 3.4Å; C103-H105 PolarHBondContact O-CE1 3.08Å; C103-H105 PolarHBondContact O-NE2 3.43Å; H105-C231 VanDerWaalsContact CD2-SG 3.59Å; H105-T238 HydrophobicContact CB-CG2 3.8Å; H105-L240 VanDerWaalsContact CE1-CD2 3.5Å; H105-L240 WeakPolarHBondContact CE1-CD2 3.38Å; H105-L240 WeakPolarHBondContact NE2-CD1 3.4Å; H105-R266 PolarHBondContact CD2-NH2 2.77Å; H105-R266 VanDerWaalsContact CD2-NH2 3.29Å; H105-R266 PolarHBondContact NE2-NH2 2.93Å
106	E	91.7	Very high	89.3	Confident	99 Å²	99	50.4 Å²	50.4	46%	0.463	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-69.1	156.1	170.3	-65	-179.6	-170.8	0	0	111.4	S100 C101 C104 L108 S233	S100-E106 CarbonylContact C-O 3.58Å; S100-E106 WeakPolarHBondContact CA-O 3.43Å; C101-E106 PolarHBondContact N-O 2.91Å; C104-E106 HydrophobicContact CB-CG 4.5Å; C104-E106 PolarHBondContact O-N 3.2Å; C104-E106 VanDerWaalsContact O-N 3.09Å; E106-L108 PolarHBondContact O-N 3.12Å; E106-S233 WeakPolarHBondContact CG-OG 3.4Å
107	T	91.9	Very high	90.1	Very high	81 Å²	81	50.7 Å²	50.7	50%	0.497	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-61.5	131.9	173.7	-54.9	0	0	0	0	110.4	H236	T107-H236 WeakPolarHBondContact OG1-CB 3.37Å; T107-H236 PolarHBondContact OG1-ND1 2.89Å
108	L	92.1	Very high	90.8	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.063	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-87.9	154.8	174.3	-68.6	168.7	0	0	0	111.5	S99 S100 C101 E106 F113 P122 C124	S99-L108 PolarHBondContact O-N 2.86Å; S100-L108 VanDerWaalsContact C-CD1 3.48Å; C101-L108 HydrophobicContact CB-CD2 3.94Å; C101-L108 HydrophobicContact CB-CG 4.26Å; E106-L108 PolarHBondContact O-N 3.12Å; L108-F113 HydrophobicContact CB-CB 3.72Å; L108-F113 HydrophobicContact CD1-CB 4.07Å; L108-F113 HydrophobicContact CD2-CB 4.48Å; L108-F113 HydrophobicContact CG-CB 4.3Å; L108-P122 HydrophobicContact CD1-CB 3.5Å; L108-P122 VanDerWaalsContact CD1-CB 3.5Å; L108-C124 HydrophobicContact CD2-CB 3.77Å
109	P	90.4	Very high	91.4	Very high	77 Å²	77	54.8 Å²	54.8	50%	0.5	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.3	166.8	171	28.2	-35.7	0	0	0	111.9	T111 F113	P109-T111 VanDerWaalsContact C-N 3.26Å; P109-T111 WeakPolarHBondContact CB-O 3.22Å; P109-T111 VanDerWaalsContact CG-O 3.26Å; P109-T111 WeakPolarHBondContact CG-O 3.34Å; P109-T111 PolarHBondContact O-N 2.9Å; P109-F113 HydrophobicContact CG-CB 4.33Å; P109-F113 WeakPolarHBondContact O-CD1 3.46Å
110	Q	85.6	Confident	91.8	Very high	186 Å²	186	52.6 Å²	52.6	87%	0.869	28%	0.275	S	S	*	.	S	Bend	trans	-69.4	-23.3	177.8	-68	-173.4	-3.4	0	0	113.4	F113	Q110-F113 WeakPolarHBondContact O-CD1 3.45Å; Q110-F113 WeakPolarHBondContact O-CE1 3.08Å
111	T	85.8	Confident	92	Very high	109 Å²	109	52.4 Å²	52.4	67%	0.669	27%	0.273	S	S	*	.	S	Bend	trans	-140.8	158.2	179	56.9	0	0	0	0	109.8	P109 F113	P109-T111 VanDerWaalsContact C-N 3.26Å; P109-T111 WeakPolarHBondContact CB-O 3.22Å; P109-T111 VanDerWaalsContact CG-O 3.26Å; P109-T111 WeakPolarHBondContact CG-O 3.34Å; P109-T111 PolarHBondContact O-N 2.9Å; T111-F113 PolarHBondContact O-N 3.11Å
112	G	85.2	Confident	92	Very high	54 Å²	54	52.4 Å²	52.4	56%	0.557	27%	0.273	S	S	*	.	S	Bend	trans	65.8	27	-175.8	0	0	0	0	0	112.5	E153	G112-E153 WeakPolarHBondContact CA-OE2 3.17Å; G112-E153 PolarHBondContact N-OE2 3.36Å
113	F	90.4	Very high	92.1	Very high	26 Å²	26	52.2 Å²	52.2	11%	0.114	27%	0.272	C	S	.	.			trans	-94.5	-5.1	-175.8	62.9	-97.7	0	0	0	113.4	L108 P109 Q110 T111 P122 V123 E153 V155	L108-F113 HydrophobicContact CB-CB 3.72Å; L108-F113 HydrophobicContact CD1-CB 4.07Å; L108-F113 HydrophobicContact CD2-CB 4.48Å; L108-F113 HydrophobicContact CG-CB 4.3Å; P109-F113 HydrophobicContact CG-CB 4.33Å; P109-F113 WeakPolarHBondContact O-CD1 3.46Å; Q110-F113 WeakPolarHBondContact O-CD1 3.45Å; Q110-F113 WeakPolarHBondContact O-CE1 3.08Å; T111-F113 PolarHBondContact O-N 3.11Å; F113-P122 HydrophobicContact CD2-CB 4.35Å; F113-P122 CarbonylContact O-C 3.59Å; F113-P122 VanDerWaalsContact O-CA 3.31Å; F113-P122 WeakPolarHBondContact O-CA 3.34Å; F113-V123 PolarHBondContact O-N 3.32Å; F113-E153 HydrophobicContact CE1-CB 3.98Å; F113-E153 HydrophobicContact CZ-CB 3.89Å; F113-V155 HydrophobicContact CD2-CG2 4.2Å; F113-V155 HydrophobicContact CE2-CG2 3.57Å
114	L	93.5	Very high	92	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.162	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-88.8	146.4	175	-62.4	-177.2	0	0	0	110.4	R116 T120 L121 E153 V155	L114-R116 PolarHBondContact O-N 3.19Å; L114-T120 WeakPolarHBondContact CD2-O 3.24Å; L114-L121 WeakPolarHBondContact CA-O 2.99Å; L114-E153 HydrophobicContact CD1-CB 3.92Å; L114-E153 HydrophobicContact CD1-CG 3.99Å; L114-E153 HydrophobicContact CG-CB 4.34Å; L114-E153 HydrophobicContact CG-CG 4.46Å; L114-V155 HydrophobicContact CD2-CG2 4.29Å
115	C	94.5	Very high	92	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.034	30%	0.304	C	S	.	.			trans	-52	131.4	178.6	172.6	0	0	0	0	112.8	H117 R118 C119 L121 V123 H133	C115-H117 PolarHBondContact O-N 3.25Å; C115-H117 PolarHBondContact SG-N 2.95Å; C115-H117 VanDerWaalsContact SG-N 3.39Å; C115-R118 PolarHBondContact O-N 3.05Å; C115-C119 WeakPolarHBondContact CB-SG 3.48Å; C115-C119 VanDerWaalsContact SG-SG 3.68Å; C115-L121 PolarHBondContact N-O 3.46Å; C115-V123 HydrophobicContact CB-CB 4.17Å; C115-V123 HydrophobicContact CB-CG2 4.05Å; C115-H133 PolarHBondContact SG-NE2 3.44Å
116	R	92.4	Very high	92	Very high	119 Å²	119	64.9 Å²	64.9	45%	0.449	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.1	179.4	66.3	175.7	152.2	-132.2	-26	114.6	L114 R118 E125 D129	L114-R116 PolarHBondContact O-N 3.19Å; R116-R118 PolarHBondContact O-N 2.62Å; R116-E125 PolarHBondContact NH2-O 3.03Å; R116-D129 IonicContact CZ-OD1 2.71Å; R116-D129 IonicContact CZ-OD2 3.53Å; R116-D129 VanDerWaalsContact NE-CG 3.31Å; R116-D129 IonicContact NE-OD1 3.45Å; R116-D129 PolarHBondContact NE-OD1 3.23Å; R116-D129 IonicContact NE-OD2 3.51Å; R116-D129 PolarHBondContact NE-OD2 3.44Å; R116-D129 IonicContact NH1-OD2 2.75Å; R116-D129 VanDerWaalsContact NH2-N 3.15Å; R116-D129 IonicContact NH2-OD1 3.59Å; R116-D129 PolarHBondContact NH2-OD1 2.71Å; R116-D129 IonicContact NH2-OD2 3.2Å; R116-D129 PolarHBondContact NH2-OD2 3.43Å
117	H	93.9	Very high	92.2	Very high	70 Å²	70	61 Å²	61	32%	0.324	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9.7	179.7	-60.1	-60	0	0	0	113.3	C115 C119 S128 D129 R141	C115-H117 PolarHBondContact O-N 3.25Å; C115-H117 PolarHBondContact SG-N 2.95Å; C115-H117 VanDerWaalsContact SG-N 3.39Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 3.29Å; H117-S128 PolarHBondContact CD2-O 3.45Å; H117-D129 IonicContact CD2-OD1 3.88Å; H117-D129 IonicContact CE1-OD1 3.11Å; H117-D129 IonicContact NE2-OD1 2.72Å; H117-D129 PolarHBondContact NE2-OD1 2.7Å; H117-R141 WeakPolarHBondContact O-CD 3.39Å; H117-R141 PolarHBondContact O-NE 2.88Å
118	R	92.4	Very high	92.3	Very high	169 Å²	169	57.4 Å²	57.4	64%	0.638	30%	0.3	S	S	*	.	S	Bend	trans	62.2	33.7	174	-59.6	-168.9	173.5	-157.1	-1.8	114	C115 R116 T120 V148	C115-R118 PolarHBondContact O-N 3.05Å; R116-R118 PolarHBondContact O-N 2.62Å; R118-T120 VanDerWaalsContact C-N 3.29Å; R118-V148 HydrophobicContact CB-CG2 3.68Å; R118-V148 HydrophobicContact CG-CG2 4.42Å
119	C	95.2	Very high	92.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.			trans	-82	-5.5	170.3	75.6	0	0	0	0	113.3	C115 H117 L121 H133 C137 F140 R141	C115-C119 WeakPolarHBondContact CB-SG 3.48Å; C115-C119 VanDerWaalsContact SG-SG 3.68Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 3.29Å; C119-L121 PolarHBondContact O-N 2.85Å; C119-H133 VanDerWaalsContact SG-CE1 3.56Å; C119-H133 PolarHBondContact SG-NE2 3.13Å; C119-H133 VanDerWaalsContact SG-NE2 3.39Å; C119-C137 HydrophobicContact CB-CB 4.39Å; C119-F140 HydrophobicContact CB-CB 3.93Å; C119-R141 HydrophobicContact CB-CG 3.85Å
120	T	94.3	Very high	92.7	Very high	12 Å²	12	59.2 Å²	59.2	7%	0.074	31%	0.308	C	S	.	.			trans	65.3	9.4	-179.4	68.9	0	0	0	0	116.1	L114 R118 P145 V148	L114-T120 WeakPolarHBondContact CD2-O 3.24Å; R118-T120 VanDerWaalsContact C-N 3.29Å; T120-P145 HydrophobicContact CG2-CB 3.7Å; T120-P145 HydrophobicContact CG2-CG 4Å; T120-P145 VanDerWaalsContact OG1-CB 3.27Å; T120-P145 WeakPolarHBondContact OG1-CB 3.32Å; T120-P145 WeakPolarHBondContact OG1-CG 3.42Å; T120-V148 HydrophobicContact CG2-CB 4.05Å; T120-V148 HydrophobicContact CG2-CG2 4.38Å
121	L	95.1	Very high	93	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	31%	0.305	C	S	.	.			trans	-82.5	145.2	173	-70.4	170.3	0	0	0	111.4	I102 L114 C115 C119 V123 F140 L160 L163	I102-L121 HydrophobicContact CD1-CB 3.73Å; I102-L121 HydrophobicContact CD1-CD1 3.81Å; I102-L121 HydrophobicContact CD1-CD2 4.27Å; I102-L121 HydrophobicContact CD1-CG 4.14Å; L114-L121 WeakPolarHBondContact CA-O 2.99Å; C115-L121 PolarHBondContact N-O 3.46Å; C119-L121 PolarHBondContact O-N 2.85Å; L121-V123 HydrophobicContact CB-CG2 4.09Å; L121-V123 PolarHBondContact O-N 3.19Å; L121-F140 HydrophobicContact CD1-CD1 3.99Å; L121-F140 HydrophobicContact CD1-CD2 4.14Å; L121-F140 HydrophobicContact CD1-CE1 4.17Å; L121-F140 HydrophobicContact CD1-CE2 4.3Å; L121-F140 HydrophobicContact CD1-CG 3.98Å; L121-F140 HydrophobicContact CD1-CZ 4.32Å; L121-F140 HydrophobicContact CD2-CD1 4Å; L121-F140 HydrophobicContact CD2-CE1 3.57Å; L121-F140 HydrophobicContact CD2-CZ 4.02Å; L121-F140 HydrophobicContact CG-CD1 3.85Å; L121-F140 HydrophobicContact CG-CE1 3.97Å; L121-F140 HydrophobicContact CG-CG 4.33Å; L121-L160 HydrophobicContact CD2-CD1 3.85Å; L121-L163 HydrophobicContact CD1-CD1 3.77Å; L121-L163 HydrophobicContact CD2-CD1 4.29Å; L121-L163 HydrophobicContact CD2-CD2 4.23Å
122	P	94.8	Very high	93.2	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-77.6	104.1	178.2	26.8	-26.5	0	0	0	110.9	I102 L108 F113 V155 L160	I102-P122 HydrophobicContact CG2-CG 3.86Å; I102-P122 PolarHBondContact N-O 3.17Å; L108-P122 HydrophobicContact CD1-CB 3.5Å; L108-P122 VanDerWaalsContact CD1-CB 3.5Å; F113-P122 HydrophobicContact CD2-CB 4.35Å; F113-P122 CarbonylContact O-C 3.59Å; F113-P122 VanDerWaalsContact O-CA 3.31Å; F113-P122 WeakPolarHBondContact O-CA 3.34Å; P122-V155 HydrophobicContact CB-CG2 3.76Å; P122-V155 HydrophobicContact CG-CG1 3.99Å; P122-V155 HydrophobicContact CG-CG2 3.83Å; P122-L160 HydrophobicContact CG-CD1 4.34Å
123	V	95.1	Very high	93.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.274	C	S	.	.			trans	-139.9	133.6	-172.4	-169.8	0	0	0	0	108.6	I102 F113 C115 L121 C127	I102-V123 HydrophobicContact CD1-CG2 3.82Å; I102-V123 HydrophobicContact CG1-CG2 3.74Å; F113-V123 PolarHBondContact O-N 3.32Å; C115-V123 HydrophobicContact CB-CB 4.17Å; C115-V123 HydrophobicContact CB-CG2 4.05Å; L121-V123 HydrophobicContact CB-CG2 4.09Å; L121-V123 PolarHBondContact O-N 3.19Å; V123-C127 VanDerWaalsContact CG1-C 3.44Å; V123-C127 HydrophobicContact CG1-CB 3.48Å; V123-C127 VanDerWaalsContact CG1-CB 3.48Å
124	C	93.1	Very high	94	Very high	27 Å²	27	61.6 Å²	61.6	18%	0.182	30%	0.298	C	S	.	.			trans	-69.2	165.8	175.8	71.1	0	0	0	0	111.3	C101 L108 T126 C127 S128	C101-C124 HydrophobicContact CB-CB 4.49Å; C101-C124 PolarHBondContact SG-N 3.47Å; L108-C124 HydrophobicContact CD2-CB 3.77Å; C124-T126 VanDerWaalsContact C-N 3.3Å; C124-T126 PolarHBondContact O-N 2.9Å; C124-C127 PolarHBondContact O-N 3.3Å; C124-C127 PolarHBondContact SG-N 2.95Å; C124-C127 VanDerWaalsContact SG-N 3.42Å; C124-S128 PolarHBondContact O-N 2.77Å; C124-S128 PolarHBondContact O-OG 3.34Å
125	E	91.7	Very high	94	Very high	156 Å²	156	61.7 Å²	61.7	73%	0.729	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-44.2	-178.4	-173.6	175.3	-175.2	0	0	112.3	R116 S128	R116-E125 PolarHBondContact NH2-O 3.03Å; E125-S128 PolarHBondContact O-N 2.81Å
126	T	92.6	Very high	94	Very high	125 Å²	125	61.6 Å²	61.6	77%	0.767	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-45.7	178.8	-46.6	0	0	0	0	112	C124 S128	C124-T126 VanDerWaalsContact C-N 3.3Å; C124-T126 PolarHBondContact O-N 2.9Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.2Å
127	C	95.6	Very high	94.2	Very high	16 Å²	16	56.1 Å²	56.1	11%	0.108	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-76.2	-12.9	-178.3	-68.3	0	0	0	0	113.3	C103 V123 C124 D129 S130 H133	C103-C127 HydrophobicContact CB-CB 3.78Å; V123-C127 VanDerWaalsContact CG1-C 3.44Å; V123-C127 HydrophobicContact CG1-CB 3.48Å; V123-C127 VanDerWaalsContact CG1-CB 3.48Å; C124-C127 PolarHBondContact O-N 3.3Å; C124-C127 PolarHBondContact SG-N 2.95Å; C124-C127 VanDerWaalsContact SG-N 3.42Å; C127-D129 PolarHBondContact O-N 3.18Å; C127-S130 PolarHBondContact O-N 3.26Å; C127-S130 VanDerWaalsContact O-N 3.08Å; C127-S130 PolarHBondContact O-OG 3.11Å; C127-H133 WeakPolarHBondContact O-CB 3.39Å
128	S	95.2	Very high	94.3	Very high	6 Å²	6	58.8 Å²	58.8	4%	0.042	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-65.7	-22.6	-178	-67.7	0	0	0	0	113.4	H117 C124 E125 T126	H117-S128 PolarHBondContact CD2-O 3.45Å; C124-S128 PolarHBondContact O-N 2.77Å; C124-S128 PolarHBondContact O-OG 3.34Å; E125-S128 PolarHBondContact O-N 2.81Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.2Å
129	D	94.2	Very high	94.4	Very high	99 Å²	99	52.9 Å²	52.9	53%	0.529	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-110.4	12.4	172.6	-70.9	-5.1	0	0	0	112.8	R116 H117 C127	R116-D129 IonicContact CZ-OD1 2.71Å; R116-D129 IonicContact CZ-OD2 3.53Å; R116-D129 VanDerWaalsContact NE-CG 3.31Å; R116-D129 IonicContact NE-OD1 3.45Å; R116-D129 PolarHBondContact NE-OD1 3.23Å; R116-D129 IonicContact NE-OD2 3.51Å; R116-D129 PolarHBondContact NE-OD2 3.44Å; R116-D129 IonicContact NH1-OD2 2.75Å; R116-D129 VanDerWaalsContact NH2-N 3.15Å; R116-D129 IonicContact NH2-OD1 3.59Å; R116-D129 PolarHBondContact NH2-OD1 2.71Å; R116-D129 IonicContact NH2-OD2 3.2Å; R116-D129 PolarHBondContact NH2-OD2 3.43Å; H117-D129 IonicContact CD2-OD1 3.88Å; H117-D129 IonicContact CE1-OD1 3.11Å; H117-D129 IonicContact NE2-OD1 2.72Å; H117-D129 PolarHBondContact NE2-OD1 2.7Å; C127-D129 PolarHBondContact O-N 3.18Å
130	S	95.2	Very high	94.5	Very high	28 Å²	28	52.9 Å²	52.9	20%	0.196	27%	0.274	C	S	.	.	S	Bend	trans	-73	149.9	178.6	73.1	0	0	0	0	111.3	C127 E132 H133 Q134	C127-S130 PolarHBondContact O-N 3.26Å; C127-S130 VanDerWaalsContact O-N 3.08Å; C127-S130 PolarHBondContact O-OG 3.11Å; S130-E132 PolarHBondContact O-N 3.41Å; S130-H133 PolarHBondContact O-N 2.89Å; S130-H133 PolarHBondContact OG-N 2.88Å; S130-Q134 PolarHBondContact O-N 3.43Å; S130-Q134 VanDerWaalsContact O-N 3.08Å
131	E	93.3	Very high	94.6	Very high	174 Å²	174	58.6 Å²	58.6	81%	0.813	29%	0.294	S	S	*	.	H	α-helix	trans	-56.7	-35.2	172.8	-66.8	-172.9	166	0	0	111.7	H133 Q134	E131-H133 PolarHBondContact O-N 3.41Å; E131-Q134 PolarHBondContact O-N 2.99Å
132	E	90.3	Very high	94.6	Very high	121 Å²	121	67.4 Å²	67.4	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-59.2	-34.5	176.9	-64.2	-176.7	164.2	0	0	112.9	S130	S130-E132 PolarHBondContact O-N 3.41Å
133	H	95.5	Very high	94.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-92.1	-26.6	-177.9	-173.8	50.7	0	0	0	113.2	C115 C119 C127 S130 E131 A135 E136 C137	C115-H133 PolarHBondContact SG-NE2 3.44Å; C119-H133 VanDerWaalsContact SG-CE1 3.56Å; C119-H133 PolarHBondContact SG-NE2 3.13Å; C119-H133 VanDerWaalsContact SG-NE2 3.39Å; C127-H133 WeakPolarHBondContact O-CB 3.39Å; S130-H133 PolarHBondContact O-N 2.89Å; S130-H133 PolarHBondContact OG-N 2.88Å; E131-H133 PolarHBondContact O-N 3.41Å; H133-A135 VanDerWaalsContact C-N 3.34Å; H133-A135 PolarHBondContact O-N 3.31Å; H133-E136 IonicContact CE1-OE1 3.5Å; H133-E136 IonicContact CG-OE1 3.73Å; H133-E136 IonicContact ND1-OE1 3.25Å; H133-E136 PolarHBondContact ND1-OE1 2.79Å; H133-E136 WeakPolarHBondContact O-CG 3.41Å; H133-E136 PolarHBondContact O-N 3.12Å; H133-C137 WeakPolarHBondContact NE2-CB 3.29Å; H133-C137 WeakPolarHBondContact O-CB 3.46Å; H133-C137 PolarHBondContact O-N 3.5Å
134	Q	95.7	Very high	94.7	Very high	131 Å²	131	71.8 Å²	71.8	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-53	-48.3	-168.5	-174.5	178.7	1.8	0	0	113.1	S130 E131 C137 E138	S130-Q134 PolarHBondContact O-N 3.43Å; S130-Q134 VanDerWaalsContact O-N 3.08Å; E131-Q134 PolarHBondContact O-N 2.99Å; Q134-C137 WeakPolarHBondContact O-CB 3.42Å; Q134-C137 PolarHBondContact O-N 2.84Å; Q134-E138 PolarHBondContact O-N 3.18Å
135	A	94.1	Very high	94.9	Very high	32 Å²	32	70.7 Å²	70.7	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-71.2	-40.5	-172.9	0	0	0	0	0	113.1	H133 H139 H170	H133-A135 VanDerWaalsContact C-N 3.34Å; H133-A135 PolarHBondContact O-N 3.31Å; A135-H139 PolarHBondContact O-N 3.19Å; A135-H139 PolarHBondContact O-ND1 3.41Å; A135-H170 VanDerWaalsContact CB-CE1 3.47Å; A135-H170 WeakPolarHBondContact CB-CE1 3.25Å; A135-H170 PolarHBondContact O-NE2 3.21Å
136	E	94.7	Very high	95	Very high	3 Å²	3	67.9 Å²	67.9	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-71.7	-35.2	175.2	56	-178.9	-146.4	0	0	111.7	I102 H133 H139 F140 L163 V166 R167	I102-E136 WeakPolarHBondContact CD1-OE1 3.47Å; H133-E136 IonicContact CE1-OE1 3.5Å; H133-E136 IonicContact CG-OE1 3.73Å; H133-E136 IonicContact ND1-OE1 3.25Å; H133-E136 PolarHBondContact ND1-OE1 2.79Å; H133-E136 WeakPolarHBondContact O-CG 3.41Å; H133-E136 PolarHBondContact O-N 3.12Å; E136-H139 PolarHBondContact O-N 2.71Å; E136-F140 VanDerWaalsContact O-CD2 3.3Å; E136-F140 WeakPolarHBondContact O-CD2 3.48Å; E136-F140 PolarHBondContact O-N 3.23Å; E136-L163 HydrophobicContact CB-CD1 3.88Å; E136-L163 HydrophobicContact CG-CD1 4.29Å; E136-L163 WeakPolarHBondContact OE2-CD1 3.36Å; E136-V166 HydrophobicContact CB-CG1 4.42Å; E136-R167 IonicContact OE1-NH2 2.65Å; E136-R167 PolarHBondContact OE1-NH2 2.94Å; E136-R167 IonicContact OE2-CZ 3.45Å; E136-R167 IonicContact OE2-NE 3.5Å; E136-R167 PolarHBondContact OE2-NE 2.88Å; E136-R167 IonicContact OE2-NH2 2.73Å; E136-R167 PolarHBondContact OE2-NH2 3.05Å
137	C	96.8	Very high	95	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-46.6	174	-171.8	0	0	0	0	111.3	C119 H133 Q134 H139 F140 R141	C119-C137 HydrophobicContact CB-CB 4.39Å; H133-C137 WeakPolarHBondContact NE2-CB 3.29Å; H133-C137 WeakPolarHBondContact O-CB 3.46Å; H133-C137 PolarHBondContact O-N 3.5Å; Q134-C137 WeakPolarHBondContact O-CB 3.42Å; Q134-C137 PolarHBondContact O-N 2.84Å; C137-H139 PolarHBondContact O-N 3.02Å; C137-F140 PolarHBondContact O-N 2.91Å; C137-R141 WeakPolarHBondContact O-CB 3.41Å; C137-R141 WeakPolarHBondContact O-CG 3.42Å; C137-R141 PolarHBondContact O-N 3.41Å
138	E	96.4	Very high	94.7	Very high	126 Å²	126	65.8 Å²	65.8	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-59.3	-46.7	177.3	-171	-175.8	163	0	0	111.7	Q134 R141 R142	Q134-E138 PolarHBondContact O-N 3.18Å; E138-R141 PolarHBondContact O-N 3.03Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 PolarHBondContact O-N 2.75Å
139	H	94.3	Very high	94.2	Very high	45 Å²	45	70.4 Å²	70.4	21%	0.208	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-52.1	177.1	-89.8	79.5	0	0	0	112.3	A135 E136 C137 R141 R142 W143 V166 H170	A135-H139 PolarHBondContact O-N 3.19Å; A135-H139 PolarHBondContact O-ND1 3.41Å; E136-H139 PolarHBondContact O-N 2.71Å; C137-H139 PolarHBondContact O-N 3.02Å; H139-R141 VanDerWaalsContact C-N 3.34Å; H139-R141 PolarHBondContact O-N 3.28Å; H139-R142 PolarHBondContact O-N 3.21Å; H139-W143 HydrophobicContact CB-CH2 4.5Å; H139-W143 HydrophobicContact CB-CZ2 4.49Å; H139-W143 AromaticContact CD2-CZ2 3.7Å; H139-W143 PolarHBondContact O-N 3.3Å; H139-V166 HydrophobicContact CB-CG1 3.92Å; H139-H170 AromaticContact CE1-CE1 3.14Å; H139-H170 PolarHBondContact CE1-CE1 3.22Å; H139-H170 AromaticContact CE1-NE2 3.36Å; H139-H170 PolarHBondContact CE1-NE2 3.49Å; H139-H170 AromaticContact CG-NE2 3.95Å; H139-H170 AromaticContact ND1-CE1 3.15Å; H139-H170 PolarHBondContact ND1-CE1 3.08Å; H139-H170 AromaticContact ND1-NE2 3.05Å; H139-H170 PolarHBondContact ND1-NE2 3.32Å
140	F	96.2	Very high	94	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-42.1	-177.3	-86.3	-120.2	0	0	0	111	C119 L121 E136 C137 R142 W143 Q144 P145 S159 I162 L163 V166 F201	C119-F140 HydrophobicContact CB-CB 3.93Å; L121-F140 HydrophobicContact CD1-CD1 3.99Å; L121-F140 HydrophobicContact CD1-CD2 4.14Å; L121-F140 HydrophobicContact CD1-CE1 4.17Å; L121-F140 HydrophobicContact CD1-CE2 4.3Å; L121-F140 HydrophobicContact CD1-CG 3.98Å; L121-F140 HydrophobicContact CD1-CZ 4.32Å; L121-F140 HydrophobicContact CD2-CD1 4Å; L121-F140 HydrophobicContact CD2-CE1 3.57Å; L121-F140 HydrophobicContact CD2-CZ 4.02Å; L121-F140 HydrophobicContact CG-CD1 3.85Å; L121-F140 HydrophobicContact CG-CE1 3.97Å; L121-F140 HydrophobicContact CG-CG 4.33Å; E136-F140 VanDerWaalsContact O-CD2 3.3Å; E136-F140 WeakPolarHBondContact O-CD2 3.48Å; E136-F140 PolarHBondContact O-N 3.23Å; C137-F140 PolarHBondContact O-N 2.91Å; F140-R142 PolarHBondContact O-N 3.13Å; F140-W143 HydrophobicContact CD2-CE3 4.41Å; F140-W143 HydrophobicContact CD2-CZ3 4.25Å; F140-W143 HydrophobicContact CE2-CZ3 4.15Å; F140-W143 PolarHBondContact O-N 2.84Å; F140-Q144 PolarHBondContact O-N 3.43Å; F140-Q144 VanDerWaalsContact O-N 3.14Å; F140-P145 VanDerWaalsContact O-CD 3.26Å; F140-P145 WeakPolarHBondContact O-CD 3.5Å; F140-S159 WeakPolarHBondContact CZ-O 3.45Å; F140-I162 HydrophobicContact CZ-CD1 4.35Å; F140-I162 HydrophobicContact CZ-CG1 4.08Å; F140-L163 HydrophobicContact CE2-CD1 3.93Å; F140-L163 HydrophobicContact CZ-CB 4.32Å; F140-L163 HydrophobicContact CZ-CD1 4.12Å; F140-V166 HydrophobicContact CE2-CB 4.33Å; F140-V166 HydrophobicContact CE2-CG1 4.44Å; F140-V166 HydrophobicContact CE2-CG2 3.77Å; F140-F201 AromaticContact CD1-CE1 3.66Å; F140-F201 HydrophobicContact CD1-CE1 3.66Å; F140-F201 AromaticContact CD1-CZ 3.77Å; F140-F201 HydrophobicContact CD1-CZ 3.77Å; F140-F201 HydrophobicContact CE1-CE1 4.07Å; F140-F201 AromaticContact CE1-CZ 3.66Å; F140-F201 HydrophobicContact CE1-CZ 3.66Å; F140-F201 HydrophobicContact CG-CE1 4.2Å; F140-F201 HydrophobicContact CG-CZ 4.5Å; F140-F201 HydrophobicContact CZ-CZ 4.31Å
141	R	96.4	Very high	93.5	Very high	132 Å²	132	76.7 Å²	76.7	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-43.2	175	-73.2	171.9	66.8	-171.5	-0.9	112.3	H117 C119 C137 E138 H139 W143 Q144	H117-R141 WeakPolarHBondContact O-CD 3.39Å; H117-R141 PolarHBondContact O-NE 2.88Å; C119-R141 HydrophobicContact CB-CG 3.85Å; C137-R141 WeakPolarHBondContact O-CB 3.41Å; C137-R141 WeakPolarHBondContact O-CG 3.42Å; C137-R141 PolarHBondContact O-N 3.41Å; E138-R141 PolarHBondContact O-N 3.03Å; H139-R141 VanDerWaalsContact C-N 3.34Å; H139-R141 PolarHBondContact O-N 3.28Å; R141-W143 VanDerWaalsContact C-N 3.29Å; R141-W143 PolarHBondContact O-N 3.4Å; R141-Q144 PolarHBondContact O-N 2.9Å
142	R	96.1	Very high	93.2	Very high	188 Å²	188	75.9 Å²	75.9	71%	0.709	36%	0.362	S	S	*	.	H	α-helix	trans	-61.1	-39.1	177.4	-179	176.3	175.8	171.1	-1.6	111.8	E138 H139 F140 Q144	E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 PolarHBondContact O-N 2.75Å; H139-R142 PolarHBondContact O-N 3.21Å; F140-R142 PolarHBondContact O-N 3.13Å; R142-Q144 PolarHBondContact O-N 3.33Å
143	W	96	Very high	92.9	Very high	11 Å²	11	74.5 Å²	74.5	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-73.4	-14.6	175.9	-60.3	-23.6	0	0	0	113.3	H139 F140 R141 I162 V166 F201 R202 N203 F204 F211	H139-W143 HydrophobicContact CB-CH2 4.5Å; H139-W143 HydrophobicContact CB-CZ2 4.49Å; H139-W143 AromaticContact CD2-CZ2 3.7Å; H139-W143 PolarHBondContact O-N 3.3Å; F140-W143 HydrophobicContact CD2-CE3 4.41Å; F140-W143 HydrophobicContact CD2-CZ3 4.25Å; F140-W143 HydrophobicContact CE2-CZ3 4.15Å; F140-W143 PolarHBondContact O-N 2.84Å; R141-W143 VanDerWaalsContact C-N 3.29Å; R141-W143 PolarHBondContact O-N 3.4Å; W143-I162 HydrophobicContact CE3-CD1 4.29Å; W143-I162 HydrophobicContact CH2-CD1 4.49Å; W143-I162 HydrophobicContact CZ3-CD1 3.65Å; W143-V166 HydrophobicContact CH2-CG2 3.53Å; W143-V166 HydrophobicContact CZ3-CG2 3.7Å; W143-F201 HydrophobicContact CB-CB 3.89Å; W143-F201 HydrophobicContact CB-CD1 3.64Å; W143-F201 HydrophobicContact CB-CE1 4.4Å; W143-F201 HydrophobicContact CB-CG 3.88Å; W143-F201 HydrophobicContact CE3-CD1 4.44Å; W143-F201 HydrophobicContact CE3-CE1 4.23Å; W143-F201 HydrophobicContact CE3-CE2 4.49Å; W143-F201 HydrophobicContact CE3-CZ 4.26Å; W143-F201 WeakPolarHBondContact O-CB 3.27Å; W143-R202 PolarHBondContact O-N 2.97Å; W143-N203 PolarHBondContact O-N 3.39Å; W143-F204 AromaticContact CD2-CD2 3.93Å; W143-F204 HydrophobicContact CD2-CD2 3.93Å; W143-F204 AromaticContact CD2-CE2 3.98Å; W143-F204 HydrophobicContact CD2-CE2 3.98Å; W143-F204 AromaticContact CE3-CD2 3.95Å; W143-F204 HydrophobicContact CE3-CD2 3.95Å; W143-F204 AromaticContact CE3-CE2 3.7Å; W143-F204 HydrophobicContact CE3-CE2 3.7Å; W143-F204 HydrophobicContact CG-CD2 4.22Å; W143-F204 HydrophobicContact CH2-CE2 4.04Å; W143-F204 HydrophobicContact CH2-CZ 4.46Å; W143-F204 HydrophobicContact CZ2-CE2 4.3Å; W143-F204 HydrophobicContact CZ3-CD2 4.46Å; W143-F204 AromaticContact CZ3-CE2 3.75Å; W143-F204 HydrophobicContact CZ3-CE2 3.75Å; W143-F211 HydrophobicContact CH2-CZ 4.12Å; W143-F211 HydrophobicContact CZ2-CE1 4.46Å; W143-F211 HydrophobicContact CZ2-CE2 4.19Å; W143-F211 AromaticContact CZ2-CZ 3.61Å; W143-F211 HydrophobicContact CZ2-CZ 3.61Å
144	Q	96.1	Very high	92.6	Very high	83 Å²	83	81.4 Å²	81.4	39%	0.388	39%	0.388	S	S	.	.			trans	57.1	85.1	179.6	-62	-176.6	5.3	0	0	112.2	F140 R141 R142 K146 F201 R202 N203	F140-Q144 PolarHBondContact O-N 3.43Å; F140-Q144 VanDerWaalsContact O-N 3.14Å; R141-Q144 PolarHBondContact O-N 2.9Å; R142-Q144 PolarHBondContact O-N 3.33Å; Q144-K146 PolarHBondContact O-N 2.72Å; Q144-F201 WeakPolarHBondContact O-CA 3.11Å; Q144-R202 HydrophobicContact CB-CB 4.07Å; Q144-R202 HydrophobicContact CB-CG 4.44Å; Q144-R202 PolarHBondContact O-N 3.34Å; Q144-N203 PolarHBondContact NE2-ND2 2.78Å; Q144-N203 VanDerWaalsContact NE2-ND2 3.19Å; Q144-N203 PolarHBondContact OE1-ND2 2.92Å
145	P	95.5	Very high	92.3	Very high	3 Å²	3	75.6 Å²	75.6	2%	0.019	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-60	135.7	178.3	-15.5	30.7	0	0	0	109.6	T120 F140 D147 V148 F201	T120-P145 HydrophobicContact CG2-CB 3.7Å; T120-P145 HydrophobicContact CG2-CG 4Å; T120-P145 VanDerWaalsContact OG1-CB 3.27Å; T120-P145 WeakPolarHBondContact OG1-CB 3.32Å; T120-P145 WeakPolarHBondContact OG1-CG 3.42Å; F140-P145 VanDerWaalsContact O-CD 3.26Å; F140-P145 WeakPolarHBondContact O-CD 3.5Å; P145-D147 PolarHBondContact O-N 3.41Å; P145-V148 WeakPolarHBondContact O-CB 3.39Å; P145-V148 WeakPolarHBondContact O-CG1 3.48Å; P145-V148 PolarHBondContact O-N 3.39Å; P145-F201 HydrophobicContact CB-CD1 4.08Å; P145-F201 HydrophobicContact CB-CE1 4.13Å; P145-F201 HydrophobicContact CG-CD1 4.04Å; P145-F201 HydrophobicContact CG-CE1 3.96Å
146	K	94.5	Very high	92.1	Very high	98 Å²	98	75.7 Å²	75.7	43%	0.426	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-68	-28.2	-177.7	-71.1	177.3	179.9	172.8	0	112.7	Q144 V148 Q199 C200 F201 R202	Q144-K146 PolarHBondContact O-N 2.72Å; K146-V148 PolarHBondContact O-N 3.25Å; K146-Q199 WeakPolarHBondContact CD-O 3.33Å; K146-Q199 WeakPolarHBondContact CE-O 3.4Å; K146-Q199 PolarHBondContact NZ-O 2.85Å; K146-C200 PolarHBondContact N-O 2.77Å; K146-F201 WeakPolarHBondContact CE-O 3.26Å; K146-R202 HydrophobicContact CG-CG 3.77Å
147	D	92.1	Very high	92	Very high	59 Å²	59	77.9 Å²	77.9	32%	0.316	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-80.4	1.4	-177.5	-51	-31.5	0	0	0	112.5	P145 D149 A150 N156	P145-D147 PolarHBondContact O-N 3.41Å; D147-D149 PolarHBondContact O-N 3.18Å; D147-A150 HydrophobicContact CB-CB 4.45Å; D147-A150 VanDerWaalsContact O-CB 3.24Å; D147-A150 WeakPolarHBondContact O-CB 3.45Å; D147-A150 PolarHBondContact O-N 2.94Å; D147-A150 VanDerWaalsContact O-N 3.11Å; D147-N156 VanDerWaalsContact OD2-CB 3.32Å; D147-N156 WeakPolarHBondContact OD2-CB 3.47Å; D147-N156 PolarHBondContact OD2-ND2 3.42Å
148	V	90.1	Very high	91.7	Very high	37 Å²	37	79.4 Å²	79.4	22%	0.224	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.5	-26.6	179.1	74.2	0	0	0	0	113.3	R118 T120 P145 K146	R118-V148 HydrophobicContact CB-CG2 3.68Å; R118-V148 HydrophobicContact CG-CG2 4.42Å; T120-V148 HydrophobicContact CG2-CB 4.05Å; T120-V148 HydrophobicContact CG2-CG2 4.38Å; P145-V148 WeakPolarHBondContact O-CB 3.39Å; P145-V148 WeakPolarHBondContact O-CG1 3.48Å; P145-V148 PolarHBondContact O-N 3.39Å; K146-V148 PolarHBondContact O-N 3.25Å
149	D	85.4	Confident	91.4	Very high	103 Å²	103	73.6 Å²	73.6	55%	0.551	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-107.2	13.7	179.6	-53.5	-54.6	0	0	0	111.5	D147 R202	D147-D149 PolarHBondContact O-N 3.18Å; D149-R202 IonicContact OD2-CZ 3.32Å; D149-R202 IonicContact OD2-NH1 3.12Å; D149-R202 PolarHBondContact OD2-NH1 3.06Å; D149-R202 IonicContact OD2-NH2 3.05Å; D149-R202 PolarHBondContact OD2-NH2 2.77Å
150	A	88.7	Confident	91.2	Very high	55 Å²	55	71.6 Å²	71.6	46%	0.455	34%	0.343	S	S	.	.			trans	-66.8	139.8	178.3	0	0	0	0	0	110.7	D147 Q152	D147-A150 HydrophobicContact CB-CB 4.45Å; D147-A150 VanDerWaalsContact O-CB 3.24Å; D147-A150 WeakPolarHBondContact O-CB 3.45Å; D147-A150 PolarHBondContact O-N 2.94Å; D147-A150 VanDerWaalsContact O-N 3.11Å; A150-Q152 PolarHBondContact O-N 3.03Å
151	E	85.4	Confident	90.9	Very high	204 Å²	204	76.9 Å²	76.9	95%	0.953	36%	0.363	S	S	*	.	S	Bend	trans	-64.7	-27.6	179.3	-65.4	-179.7	173.6	0	0	112.8
152	Q	86.3	Confident	90.6	Very high	157 Å²	157	70.9 Å²	70.9	73%	0.734	34%	0.341	S	S	*	.	S	Bend	trans	-118.2	131.6	178.6	-67.1	178.7	1.9	0	0	109.9	A150 Q154	A150-Q152 PolarHBondContact O-N 3.03Å; Q152-Q154 PolarHBondContact O-N 3.43Å
153	E	85.1	Confident	90.5	Very high	92 Å²	92	61.9 Å²	61.9	43%	0.43	31%	0.307	S	S	.	.			trans	-64.2	117.5	172.1	-68.7	-170.3	154.1	0	0	109.8	G112 F113 L114	G112-E153 WeakPolarHBondContact CA-OE2 3.17Å; G112-E153 PolarHBondContact N-OE2 3.36Å; F113-E153 HydrophobicContact CE1-CB 3.98Å; F113-E153 HydrophobicContact CZ-CB 3.89Å; L114-E153 HydrophobicContact CD1-CB 3.92Å; L114-E153 HydrophobicContact CD1-CG 3.99Å; L114-E153 HydrophobicContact CG-CB 4.34Å; L114-E153 HydrophobicContact CG-CG 4.46Å
154	Q	87.9	Confident	90.5	Very high	145 Å²	145	61.6 Å²	61.6	68%	0.678	31%	0.306	S	S	*	.			trans	-141.3	134.7	174.6	-171.4	175.2	17.4	0	0	110.1	Q152 N156	Q152-Q154 PolarHBondContact O-N 3.43Å; Q154-N156 PolarHBondContact O-N 2.95Å
155	V	90	Very high	90.4	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	29%	0.288	C	S	.	.			trans	-71.7	122.4	169.2	-176.3	0	0	0	0	109.1	L98 F113 L114 P122 P157 L160	L98-V155 HydrophobicContact CB-CB 4.27Å; L98-V155 HydrophobicContact CB-CG2 4.46Å; L98-V155 HydrophobicContact CD2-CG1 4.21Å; F113-V155 HydrophobicContact CD2-CG2 4.2Å; F113-V155 HydrophobicContact CE2-CG2 3.57Å; L114-V155 HydrophobicContact CD2-CG2 4.29Å; P122-V155 HydrophobicContact CB-CG2 3.76Å; P122-V155 HydrophobicContact CG-CG1 3.99Å; P122-V155 HydrophobicContact CG-CG2 3.83Å; V155-P157 VanDerWaalsContact O-CD 3.23Å; V155-P157 WeakPolarHBondContact O-CD 3.24Å; V155-L160 HydrophobicContact CG1-CB 4.47Å; V155-L160 HydrophobicContact CG1-CD2 4.02Å
156	N	90.9	Very high	90.4	Very high	35 Å²	35	57.6 Å²	57.6	19%	0.187	29%	0.287	C	S	.	.			trans	-79.2	110.6	169.8	-168.1	-38.3	0	0	0	110.2	D147 Q154 M158 S159 L160	D147-N156 VanDerWaalsContact OD2-CB 3.32Å; D147-N156 WeakPolarHBondContact OD2-CB 3.47Å; D147-N156 PolarHBondContact OD2-ND2 3.42Å; Q154-N156 PolarHBondContact O-N 2.95Å; N156-M158 PolarHBondContact O-N 3.49Å; N156-M158 WeakPolarHBondContact OD1-CB 3.15Å; N156-M158 PolarHBondContact OD1-N 3.05Å; N156-S159 PolarHBondContact O-N 2.85Å; N156-S159 PolarHBondContact OD1-N 2.63Å; N156-L160 PolarHBondContact O-N 2.8Å
157	P	91.4	Very high	90.4	Very high	49 Å²	49	54.8 Å²	54.8	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-25.9	-177.3	27.4	-34.9	0	0	0	112.7	L98 V155 L160 R161	L98-P157 HydrophobicContact CD1-CB 4.42Å; L98-P157 HydrophobicContact CD2-CB 4.42Å; V155-P157 VanDerWaalsContact O-CD 3.23Å; V155-P157 WeakPolarHBondContact O-CD 3.24Å; P157-L160 PolarHBondContact O-N 2.83Å; P157-R161 WeakPolarHBondContact O-CD 3.48Å; P157-R161 VanDerWaalsContact O-CG 3.24Å; P157-R161 WeakPolarHBondContact O-CG 3.38Å; P157-R161 PolarHBondContact O-N 3.27Å; P157-R161 VanDerWaalsContact O-N 3.17Å
158	M	89.9	Confident	90.7	Very high	36 Å²	36	52 Å²	52	18%	0.177	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-43.8	177.5	-65.9	-59.3	-58.4	0	0	111.3	N156 L160 R161 E193 Q196 A197	N156-M158 PolarHBondContact O-N 3.49Å; N156-M158 WeakPolarHBondContact OD1-CB 3.15Å; N156-M158 PolarHBondContact OD1-N 3.05Å; M158-L160 VanDerWaalsContact C-N 3.28Å; M158-L160 PolarHBondContact O-N 3.27Å; M158-R161 PolarHBondContact O-N 2.74Å; M158-E193 HydrophobicContact CE-CG 4.03Å; M158-Q196 HydrophobicContact CE-CB 3.57Å; M158-A197 WeakPolarHBondContact O-CB 3.45Å
159	S	90.4	Very high	90.9	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-39.1	172.2	-54.9	0	0	0	0	111.5	F140 N156 R161 I162 C200	F140-S159 WeakPolarHBondContact CZ-O 3.45Å; N156-S159 PolarHBondContact O-N 2.85Å; N156-S159 PolarHBondContact OD1-N 2.63Å; S159-R161 VanDerWaalsContact C-N 3.31Å; S159-R161 PolarHBondContact O-N 2.93Å; S159-I162 WeakPolarHBondContact O-CG1 3.3Å; S159-I162 PolarHBondContact O-N 2.72Å; S159-C200 WeakPolarHBondContact OG-CB 3.28Å
160	L	91.3	Very high	91.3	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-31	-179.6	-165.9	62.9	0	0	0	112.9	P91 A93 L98 I102 L121 P122 V155 N156 P157 M158 I162 L163	P91-L160 HydrophobicContact CB-CD1 4.49Å; P91-L160 HydrophobicContact CB-CD2 4.02Å; P91-L160 HydrophobicContact CB-CG 4.19Å; P91-L160 HydrophobicContact CG-CD1 3.57Å; P91-L160 HydrophobicContact CG-CD2 3.93Å; P91-L160 HydrophobicContact CG-CG 3.55Å; A93-L160 HydrophobicContact CB-CB 3.98Å; A93-L160 HydrophobicContact CB-CD2 3.9Å; A93-L160 HydrophobicContact CB-CG 4.06Å; L98-L160 HydrophobicContact CD2-CD2 3.72Å; I102-L160 HydrophobicContact CG2-CD1 3.85Å; L121-L160 HydrophobicContact CD2-CD1 3.85Å; P122-L160 HydrophobicContact CG-CD1 4.34Å; V155-L160 HydrophobicContact CG1-CB 4.47Å; V155-L160 HydrophobicContact CG1-CD2 4.02Å; N156-L160 PolarHBondContact O-N 2.8Å; P157-L160 PolarHBondContact O-N 2.83Å; M158-L160 VanDerWaalsContact C-N 3.28Å; M158-L160 PolarHBondContact O-N 3.27Å; L160-I162 VanDerWaalsContact C-N 3.31Å; L160-I162 PolarHBondContact O-N 3.05Å; L160-L163 HydrophobicContact CD1-CD2 3.99Å; L160-L163 WeakPolarHBondContact O-CB 3.22Å; L160-L163 PolarHBondContact O-N 3.43Å
161	R	88.6	Confident	91.6	Very high	111 Å²	111	49.1 Å²	49.1	42%	0.419	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-31.5	-179.8	-79	160.7	170	-150	10.9	113.8	A93 P157 M158 S159 L163 E193	A93-R161 HydrophobicContact CB-CG 3.73Å; P157-R161 WeakPolarHBondContact O-CD 3.48Å; P157-R161 VanDerWaalsContact O-CG 3.24Å; P157-R161 WeakPolarHBondContact O-CG 3.38Å; P157-R161 PolarHBondContact O-N 3.27Å; P157-R161 VanDerWaalsContact O-N 3.17Å; M158-R161 PolarHBondContact O-N 2.74Å; S159-R161 VanDerWaalsContact C-N 3.31Å; S159-R161 PolarHBondContact O-N 2.93Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-E193 WeakPolarHBondContact CD-OE1 3.37Å; R161-E193 IonicContact CZ-OE1 2.61Å; R161-E193 IonicContact NE-OE1 2.64Å; R161-E193 IonicContact NH1-OE1 3.81Å; R161-E193 PolarHBondContact NH1-OE1 3.41Å
162	I	91.1	Very high	92.1	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-81.9	-13.1	179.2	61.7	163.2	0	0	0	112.8	F140 W143 S159 L160 T164 A165 V166 A197 F201 F204	F140-I162 HydrophobicContact CZ-CD1 4.35Å; F140-I162 HydrophobicContact CZ-CG1 4.08Å; W143-I162 HydrophobicContact CE3-CD1 4.29Å; W143-I162 HydrophobicContact CH2-CD1 4.49Å; W143-I162 HydrophobicContact CZ3-CD1 3.65Å; S159-I162 WeakPolarHBondContact O-CG1 3.3Å; S159-I162 PolarHBondContact O-N 2.72Å; L160-I162 VanDerWaalsContact C-N 3.31Å; L160-I162 PolarHBondContact O-N 3.05Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.88Å; I162-A165 WeakPolarHBondContact O-CA 3.35Å; I162-A165 WeakPolarHBondContact O-CB 3.35Å; I162-A165 PolarHBondContact O-N 2.82Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 3.36Å; I162-A197 HydrophobicContact CG2-CB 3.42Å; I162-A197 VanDerWaalsContact CG2-CB 3.42Å; I162-F201 HydrophobicContact CD1-CE2 3.6Å; I162-F201 HydrophobicContact CD1-CZ 3.96Å; I162-F204 HydrophobicContact CD1-CE2 3.77Å; I162-F204 HydrophobicContact CD1-CZ 4.38Å
163	L	94.5	Very high	92.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.6	-46.5	-175.5	-178.9	63.1	0	0	0	112.7	P91 I102 L121 E136 F140 L160 R161 A165 V166 R167	P91-L163 HydrophobicContact CG-CD2 3.99Å; I102-L163 HydrophobicContact CB-CD2 4Å; I102-L163 HydrophobicContact CD1-CD2 3.58Å; I102-L163 HydrophobicContact CG1-CD2 4.39Å; I102-L163 HydrophobicContact CG2-CD2 3.97Å; L121-L163 HydrophobicContact CD1-CD1 3.77Å; L121-L163 HydrophobicContact CD2-CD1 4.29Å; L121-L163 HydrophobicContact CD2-CD2 4.23Å; E136-L163 HydrophobicContact CB-CD1 3.88Å; E136-L163 HydrophobicContact CG-CD1 4.29Å; E136-L163 WeakPolarHBondContact OE2-CD1 3.36Å; F140-L163 HydrophobicContact CE2-CD1 3.93Å; F140-L163 HydrophobicContact CZ-CB 4.32Å; F140-L163 HydrophobicContact CZ-CD1 4.12Å; L160-L163 HydrophobicContact CD1-CD2 3.99Å; L160-L163 WeakPolarHBondContact O-CB 3.22Å; L160-L163 PolarHBondContact O-N 3.43Å; R161-L163 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.35Å; L163-V166 WeakPolarHBondContact O-CA 3.44Å; L163-V166 WeakPolarHBondContact O-CB 3.44Å; L163-V166 PolarHBondContact O-N 3.12Å; L163-R167 PolarHBondContact O-N 2.85Å
164	T	94.6	Very high	92.9	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-35.2	179.4	-47.4	0	0	0	0	111.5	V88 G90 I162 V168 L222	V88-T164 HydrophobicContact CG1-CG2 4.32Å; V88-T164 HydrophobicContact CG2-CG2 4.22Å; G90-T164 WeakPolarHBondContact CA-OG1 3.19Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.88Å; T164-V168 PolarHBondContact O-N 2.97Å; T164-L222 HydrophobicContact CG2-CD1 4.02Å; T164-L222 HydrophobicContact CG2-CD2 4.2Å
165	A	94.6	Very high	93.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-35.5	174.9	0	0	0	0	0	111.9	I162 L163 R167 V168 F169 L215 I218 V219 L222	I162-A165 WeakPolarHBondContact O-CA 3.35Å; I162-A165 WeakPolarHBondContact O-CB 3.35Å; I162-A165 PolarHBondContact O-N 2.82Å; L163-A165 PolarHBondContact O-N 3.35Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.39Å; A165-V168 WeakPolarHBondContact O-CB 3.5Å; A165-V168 PolarHBondContact O-N 3.21Å; A165-F169 VanDerWaalsContact O-CD2 3.32Å; A165-F169 WeakPolarHBondContact O-CD2 3.31Å; A165-L215 HydrophobicContact CB-CD1 3.74Å; A165-I218 HydrophobicContact CB-CG2 3.7Å; A165-V219 HydrophobicContact CB-CG2 3.84Å; A165-L222 HydrophobicContact CB-CD1 4.16Å
166	V	94.9	Very high	93.6	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-45.4	171.8	179.3	0	0	0	0	111	E136 H139 F140 W143 I162 L163 V168 F169 H170	E136-V166 HydrophobicContact CB-CG1 4.42Å; H139-V166 HydrophobicContact CB-CG1 3.92Å; F140-V166 HydrophobicContact CE2-CB 4.33Å; F140-V166 HydrophobicContact CE2-CG1 4.44Å; F140-V166 HydrophobicContact CE2-CG2 3.77Å; W143-V166 HydrophobicContact CH2-CG2 3.53Å; W143-V166 HydrophobicContact CZ3-CG2 3.7Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 3.36Å; L163-V166 WeakPolarHBondContact O-CA 3.44Å; L163-V166 WeakPolarHBondContact O-CB 3.44Å; L163-V166 PolarHBondContact O-N 3.12Å; V166-V168 PolarHBondContact O-N 2.94Å; V166-F169 WeakPolarHBondContact O-CB 3.41Å; V166-F169 PolarHBondContact O-N 2.79Å; V166-H170 PolarHBondContact O-CD2 3.01Å; V166-H170 VanDerWaalsContact O-CD2 3.27Å
167	R	96.1	Very high	93.8	Very high	39 Å²	39	46.4 Å²	46.4	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-56.3	-33.7	176.3	-71	177.8	176.6	-174.8	-5.9	112.7	V88 T89 I102 E136 L163 A165 F169 H170	V88-R167 HydrophobicContact CG2-CB 3.49Å; V88-R167 VanDerWaalsContact CG2-CB 3.49Å; V88-R167 HydrophobicContact CG2-CG 4.48Å; T89-R167 VanDerWaalsContact O-CD 3.25Å; T89-R167 WeakPolarHBondContact O-CD 3.34Å; T89-R167 PolarHBondContact O-NH1 3.05Å; I102-R167 PolarHBondContact O-NH2 3.36Å; E136-R167 IonicContact OE1-NH2 2.65Å; E136-R167 PolarHBondContact OE1-NH2 2.94Å; E136-R167 IonicContact OE2-CZ 3.45Å; E136-R167 IonicContact OE2-NE 3.5Å; E136-R167 PolarHBondContact OE2-NE 2.88Å; E136-R167 IonicContact OE2-NH2 2.73Å; E136-R167 PolarHBondContact OE2-NH2 3.05Å; L163-R167 PolarHBondContact O-N 2.85Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.39Å; R167-F169 VanDerWaalsContact C-N 3.34Å; R167-F169 PolarHBondContact O-N 3.39Å; R167-H170 PolarHBondContact O-N 3.49Å; R167-H170 VanDerWaalsContact O-N 3.17Å
168	V	96.6	Very high	94	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-35.9	175.9	173.1	0	0	0	0	112.5	V88 T164 A165 V166 H170 L171 R176 V179 I218	V88-V168 HydrophobicContact CG1-CG2 3.91Å; T164-V168 PolarHBondContact O-N 2.97Å; A165-V168 WeakPolarHBondContact O-CB 3.5Å; A165-V168 PolarHBondContact O-N 3.21Å; V166-V168 PolarHBondContact O-N 2.94Å; V168-H170 PolarHBondContact O-N 2.86Å; V168-L171 HydrophobicContact CB-CD1 4.35Å; V168-L171 HydrophobicContact CG1-CD1 4.25Å; V168-L171 HydrophobicContact CG2-CD1 4.3Å; V168-L171 WeakPolarHBondContact O-CB 3.01Å; V168-L171 PolarHBondContact O-N 3Å; V168-L171 VanDerWaalsContact O-N 3.16Å; V168-R176 WeakPolarHBondContact O-CG 3.17Å; V168-V179 HydrophobicContact CG1-CB 4.29Å; V168-V179 HydrophobicContact CG1-CG1 4.03Å; V168-V179 HydrophobicContact CG1-CG2 4.05Å; V168-I218 HydrophobicContact CB-CD1 4.17Å; V168-I218 HydrophobicContact CB-CG1 4.49Å; V168-I218 HydrophobicContact CB-CG2 3.83Å; V168-I218 HydrophobicContact CG1-CD1 3.69Å; V168-I218 HydrophobicContact CG1-CG1 3.83Å; V168-I218 HydrophobicContact CG1-CG2 3.96Å; V168-I218 HydrophobicContact CG2-CG2 3.85Å
169	F	95	Very high	94.3	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-26.7	176.6	-73.7	-78.8	0	0	0	112.5	A165 V166 R167 R176 F211 Q214 L215 I218	A165-F169 VanDerWaalsContact O-CD2 3.32Å; A165-F169 WeakPolarHBondContact O-CD2 3.31Å; V166-F169 WeakPolarHBondContact O-CB 3.41Å; V166-F169 PolarHBondContact O-N 2.79Å; R167-F169 VanDerWaalsContact C-N 3.34Å; R167-F169 PolarHBondContact O-N 3.39Å; F169-R176 PolarHBondContact O-NH1 3.3Å; F169-F211 HydrophobicContact CD2-CE2 4.37Å; F169-F211 HydrophobicContact CE1-CD2 4.02Å; F169-F211 HydrophobicContact CE1-CE2 4.05Å; F169-F211 HydrophobicContact CE2-CD2 4.49Å; F169-F211 AromaticContact CE2-CE2 3.76Å; F169-F211 HydrophobicContact CE2-CE2 3.76Å; F169-F211 HydrophobicContact CE2-CZ 4.29Å; F169-F211 AromaticContact CZ-CD2 3.85Å; F169-F211 HydrophobicContact CZ-CD2 3.85Å; F169-F211 AromaticContact CZ-CE2 3.57Å; F169-F211 HydrophobicContact CZ-CE2 3.57Å; F169-F211 HydrophobicContact CZ-CZ 4.32Å; F169-Q214 HydrophobicContact CE1-CB 3.96Å; F169-Q214 HydrophobicContact CZ-CB 4.15Å; F169-L215 HydrophobicContact CE2-CB 4.4Å; F169-L215 HydrophobicContact CE2-CD1 4.11Å; F169-L215 HydrophobicContact CZ-CB 4.15Å; F169-I218 HydrophobicContact CD1-CD1 4.38Å; F169-I218 HydrophobicContact CD2-CD1 4.13Å; F169-I218 HydrophobicContact CE1-CD1 4.01Å; F169-I218 HydrophobicContact CE2-CD1 3.75Å; F169-I218 HydrophobicContact CG-CD1 4.45Å; F169-I218 HydrophobicContact CZ-CD1 3.69Å
170	H	94.4	Very high	94.5	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.2	179.5	-63.7	-65	0	0	0	114.6	A135 H139 V166 R167 V168	A135-H170 VanDerWaalsContact CB-CE1 3.47Å; A135-H170 WeakPolarHBondContact CB-CE1 3.25Å; A135-H170 PolarHBondContact O-NE2 3.21Å; H139-H170 AromaticContact CE1-CE1 3.14Å; H139-H170 PolarHBondContact CE1-CE1 3.22Å; H139-H170 AromaticContact CE1-NE2 3.36Å; H139-H170 PolarHBondContact CE1-NE2 3.49Å; H139-H170 AromaticContact CG-NE2 3.95Å; H139-H170 AromaticContact ND1-CE1 3.15Å; H139-H170 PolarHBondContact ND1-CE1 3.08Å; H139-H170 AromaticContact ND1-NE2 3.05Å; H139-H170 PolarHBondContact ND1-NE2 3.32Å; V166-H170 PolarHBondContact O-CD2 3.01Å; V166-H170 VanDerWaalsContact O-CD2 3.27Å; R167-H170 PolarHBondContact O-N 3.49Å; R167-H170 VanDerWaalsContact O-N 3.17Å; V168-H170 PolarHBondContact O-N 2.86Å
171	L	95.5	Very high	94.6	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.12	21%	0.208	C	C	.	.	S	Bend	trans	-67	158.7	176.2	-65.8	176.6	0	0	0	111.9	L87 V168 Q175 R176 V179	L87-L171 HydrophobicContact CD1-CD1 4.47Å; L87-L171 HydrophobicContact CD2-CD1 4.3Å; L87-L171 HydrophobicContact CG-CD1 4.08Å; V168-L171 HydrophobicContact CB-CD1 4.35Å; V168-L171 HydrophobicContact CG1-CD1 4.25Å; V168-L171 HydrophobicContact CG2-CD1 4.3Å; V168-L171 WeakPolarHBondContact O-CB 3.01Å; V168-L171 PolarHBondContact O-N 3Å; V168-L171 VanDerWaalsContact O-N 3.16Å; L171-Q175 HydrophobicContact CB-CB 3.75Å; L171-Q175 HydrophobicContact CD1-CB 4.22Å; L171-Q175 HydrophobicContact CG-CB 4.4Å; L171-R176 HydrophobicContact CB-CG 3.88Å; L171-R176 PolarHBondContact O-NH1 3.42Å; L171-V179 HydrophobicContact CD1-CG2 4.23Å
172	G	95	Very high	94.9	Very high	36 Å²	36	39.6 Å²	39.6	37%	0.371	19%	0.188	S	C	.	.			trans	-62.6	168.1	173.1	0	0	0	0	0	113	E174 Q175 R176	G172-E174 PolarHBondContact O-N 3.37Å; G172-Q175 PolarHBondContact O-N 2.68Å; G172-R176 PolarHBondContact O-N 2.8Å
173	K	94.1	Very high	94.9	Very high	178 Å²	178	41.3 Å²	41.3	77%	0.774	20%	0.196	S	C	*	.	H	α-helix	trans	-56.4	-48.3	-178.3	-176.2	-177.4	174.6	-172.9	0	112.5	R176 H177	K173-R176 PolarHBondContact O-N 3.38Å; K173-H177 PolarHBondContact O-N 3.25Å
174	E	93.9	Very high	94.7	Very high	113 Å²	113	41.6 Å²	41.6	53%	0.528	20%	0.198	S	C	.	.	H	α-helix	trans	-67.5	-40.8	-178.9	-65.1	179.6	146.3	0	0	111.8	L42 V45 G172 R176 H177 L178	L42-E174 HydrophobicContact CD2-CB 4.31Å; V45-E174 WeakPolarHBondContact CG1-OE2 3.08Å; G172-E174 PolarHBondContact O-N 3.37Å; E174-R176 PolarHBondContact O-N 2.99Å; E174-H177 WeakPolarHBondContact O-CB 3.36Å; E174-H177 PolarHBondContact O-N 3Å; E174-L178 PolarHBondContact O-N 3.01Å
175	Q	96.8	Very high	94.1	Very high	72 Å²	72	41.7 Å²	41.7	34%	0.336	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-42	175.9	-68.8	178.4	-48.8	0	0	112.2	L87 L171 G172 L178 V179	L87-Q175 HydrophobicContact CD1-CB 3.96Å; L87-Q175 HydrophobicContact CD1-CG 3.76Å; L171-Q175 HydrophobicContact CB-CB 3.75Å; L171-Q175 HydrophobicContact CD1-CB 4.22Å; L171-Q175 HydrophobicContact CG-CB 4.4Å; G172-Q175 PolarHBondContact O-N 2.68Å; Q175-L178 WeakPolarHBondContact O-CB 3.35Å; Q175-L178 PolarHBondContact O-N 3.03Å; Q175-V179 WeakPolarHBondContact O-CG2 3.41Å; Q175-V179 PolarHBondContact O-N 3.17Å
176	R	95.5	Very high	93.1	Very high	101 Å²	101	43.9 Å²	43.9	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-38.8	173.7	-71.8	-169.2	-61.1	-111.1	-12.8	112	V168 F169 L171 G172 K173 E174 L178 V179 D180	V168-R176 WeakPolarHBondContact O-CG 3.17Å; F169-R176 PolarHBondContact O-NH1 3.3Å; L171-R176 HydrophobicContact CB-CG 3.88Å; L171-R176 PolarHBondContact O-NH1 3.42Å; G172-R176 PolarHBondContact O-N 2.8Å; K173-R176 PolarHBondContact O-N 3.38Å; E174-R176 PolarHBondContact O-N 2.99Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 2.74Å; R176-V179 PolarHBondContact O-N 3.05Å; R176-D180 PolarHBondContact O-N 3.43Å
177	H	95.2	Very high	92.2	Very high	85 Å²	85	45.8 Å²	45.8	39%	0.394	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-42	172.8	-172.4	179.3	0	0	0	110.8	T34 L42 K173 E174 V179 D180 A181	T34-H177 PolarHBondContact OG1-NE2 3.4Å; L42-H177 HydrophobicContact CD1-CB 4.46Å; L42-H177 HydrophobicContact CD2-CB 4.36Å; K173-H177 PolarHBondContact O-N 3.25Å; E174-H177 WeakPolarHBondContact O-CB 3.36Å; E174-H177 PolarHBondContact O-N 3Å; H177-V179 VanDerWaalsContact C-N 3.35Å; H177-V179 PolarHBondContact O-N 2.81Å; H177-D180 PolarHBondContact O-N 3.3Å; H177-A181 WeakPolarHBondContact O-CB 3.1Å; H177-A181 PolarHBondContact O-N 2.86Å
178	L	96.3	Very high	91.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-46.1	174.1	179.6	54.8	0	0	0	111.7	L39 L42 I43 H46 L87 E174 Q175 R176 D180 A181 M182 P245	L39-L178 HydrophobicContact CD1-CD1 3.57Å; L42-L178 HydrophobicContact CB-CB 4.21Å; L42-L178 HydrophobicContact CB-CD1 3.92Å; L42-L178 HydrophobicContact CB-CG 4.5Å; I43-L178 HydrophobicContact CD1-CD1 3.73Å; I43-L178 HydrophobicContact CD1-CD2 4.16Å; I43-L178 HydrophobicContact CG1-CD1 4.23Å; H46-L178 HydrophobicContact CB-CD2 3.64Å; L87-L178 HydrophobicContact CD2-CD2 4.2Å; L87-L178 HydrophobicContact CD2-CG 4.4Å; E174-L178 PolarHBondContact O-N 3.01Å; Q175-L178 WeakPolarHBondContact O-CB 3.35Å; Q175-L178 PolarHBondContact O-N 3.03Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 2.74Å; L178-D180 PolarHBondContact O-N 3.47Å; L178-A181 PolarHBondContact O-N 3.17Å; L178-M182 WeakPolarHBondContact O-CG 3.27Å; L178-M182 PolarHBondContact O-N 2.89Å; L178-P245 HydrophobicContact CD1-CB 4.03Å; L178-P245 HydrophobicContact CD2-CB 3.9Å; L178-P245 HydrophobicContact CD2-CG 3.77Å; L178-P245 HydrophobicContact CG-CB 4.02Å; L178-P245 HydrophobicContact CG-CG 4.03Å
179	V	96.4	Very high	90.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-47.8	174.3	177.8	0	0	0	0	111.2	L87 V168 L171 Q175 R176 H177 A181 M182 V221 L243	L87-V179 HydrophobicContact CD2-CG2 3.63Å; V168-V179 HydrophobicContact CG1-CB 4.29Å; V168-V179 HydrophobicContact CG1-CG1 4.03Å; V168-V179 HydrophobicContact CG1-CG2 4.05Å; L171-V179 HydrophobicContact CD1-CG2 4.23Å; Q175-V179 WeakPolarHBondContact O-CG2 3.41Å; Q175-V179 PolarHBondContact O-N 3.17Å; R176-V179 PolarHBondContact O-N 3.05Å; H177-V179 VanDerWaalsContact C-N 3.35Å; H177-V179 PolarHBondContact O-N 2.81Å; V179-A181 VanDerWaalsContact C-N 3.28Å; V179-A181 PolarHBondContact O-N 2.64Å; V179-M182 WeakPolarHBondContact O-CB 3.44Å; V179-M182 PolarHBondContact O-N 2.83Å; V179-M182 VanDerWaalsContact O-N 3.16Å; V179-V221 HydrophobicContact CG1-CB 4.24Å; V179-V221 HydrophobicContact CG1-CG1 3.91Å; V179-V221 HydrophobicContact CG1-CG2 4.4Å; V179-V221 WeakPolarHBondContact O-CG2 3.36Å; V179-L243 HydrophobicContact CG2-CD2 3.93Å
180	D	93.8	Very high	90.1	Very high	55 Å²	55	56.3 Å²	56.3	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-36.9	-180	-81.7	-24.3	0	0	0	112.2	C31 R176 H177 L178 M182 R217	C31-D180 WeakPolarHBondContact CB-O 3.36Å; R176-D180 PolarHBondContact O-N 3.43Å; H177-D180 PolarHBondContact O-N 3.3Å; L178-D180 PolarHBondContact O-N 3.47Å; D180-M182 PolarHBondContact O-N 2.99Å; D180-R217 PolarHBondContact O-NH2 2.83Å
181	A	94.1	Very high	89.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-22.1	178.5	0	0	0	0	0	113.4	T34 L39 L42 R67 H177 L178 V179	T34-A181 HydrophobicContact CG2-CB 3.86Å; L39-A181 HydrophobicContact CD1-CB 4.07Å; L42-A181 HydrophobicContact CD1-CB 4.44Å; R67-A181 VanDerWaalsContact CZ-O 3.24Å; R67-A181 PolarHBondContact NH1-O 3.38Å; R67-A181 PolarHBondContact NH2-O 2.83Å; H177-A181 WeakPolarHBondContact O-CB 3.1Å; H177-A181 PolarHBondContact O-N 2.86Å; L178-A181 PolarHBondContact O-N 3.17Å; V179-A181 VanDerWaalsContact C-N 3.28Å; V179-A181 PolarHBondContact O-N 2.64Å
182	M	94.6	Very high	89.3	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.299	C	S	.	.	S	Bend	trans	-66.7	159.1	179.5	-62.6	-59.5	-73.7	0	0	112.8	L178 V179 D180 R217 V221 N225 P245 A248 I249	L178-M182 WeakPolarHBondContact O-CG 3.27Å; L178-M182 PolarHBondContact O-N 2.89Å; V179-M182 WeakPolarHBondContact O-CB 3.44Å; V179-M182 PolarHBondContact O-N 2.83Å; V179-M182 VanDerWaalsContact O-N 3.16Å; D180-M182 PolarHBondContact O-N 2.99Å; M182-R217 PolarHBondContact O-NH2 3.13Å; M182-V221 HydrophobicContact CB-CG1 3.6Å; M182-V221 HydrophobicContact CB-CG2 4.25Å; M182-V221 HydrophobicContact CG-CG1 4.11Å; M182-N225 HydrophobicContact CE-CB 4.06Å; M182-P245 HydrophobicContact CE-CB 4.42Å; M182-P245 WeakPolarHBondContact CE-O 3.48Å; M182-P245 HydrophobicContact SD-CB 4.07Å; M182-A248 HydrophobicContact CE-CB 3.59Å; M182-I249 HydrophobicContact CE-CG1 4.22Å; M182-I249 HydrophobicContact SD-CG1 4.34Å
183	Q	90.9	Very high	88.9	Confident	42 Å²	42	64.9 Å²	64.9	20%	0.196	29%	0.292	C	S	.	.			trans	-65.7	136	174.3	178.8	64.1	14.8	0	0	110.3	N185 T224 N225	Q183-N185 PolarHBondContact NE2-OD1 3.44Å; Q183-T224 HydrophobicContact CB-CG2 4.29Å; Q183-T224 HydrophobicContact CG-CG2 4.01Å; Q183-N225 PolarHBondContact O-ND2 3.16Å
184	A	89.4	Confident	88.7	Confident	6 Å²	6	56.6 Å²	56.6	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	108.2	172.5	0	0	0	0	0	109.9	A186 R217 V221	A184-A186 PolarHBondContact O-N 3.38Å; A184-R217 VanDerWaalsContact CB-NH1 3.32Å; A184-V221 HydrophobicContact CB-CG2 3.72Å
185	N	82.9	Confident	88.6	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112.8	173.8	-64.2	-23.5	0	0	0	108.5	Q183 E187 T224 H305	Q183-N185 PolarHBondContact NE2-OD1 3.44Å; N185-E187 PolarHBondContact O-N 2.87Å; N185-T224 PolarHBondContact N-OG1 3.4Å; N185-H305 PolarHBondContact ND2-CD2 2.84Å
186	A	73.4	Confident	88.3	Confident	45 Å²	45	56.7 Å²	56.7	37%	0.372	26%	0.258	S	S	.	.			trans	-80.5	81.3	-176.8	0	0	0	0	0	111.1	H27 A184	H27-A186 HydrophobicContact CB-CB 4.11Å; A184-A186 PolarHBondContact O-N 3.38Å
187	E	75.9	Confident	88.2	Confident	42 Å²	42	51.9 Å²	51.9	20%	0.196	24%	0.24	C	C	.	.			trans	-83.8	137.1	175.8	-63.1	-171.8	-164	0	0	112.4	N185 A189 Y190 H305	N185-E187 PolarHBondContact O-N 2.87Å; E187-A189 PolarHBondContact O-N 2.78Å; E187-Y190 HydrophobicContact CB-CD2 3.7Å; E187-Y190 HydrophobicContact CB-CE2 3.72Å; E187-Y190 HydrophobicContact CB-CG 4.16Å; E187-Y190 HydrophobicContact CG-CD2 4.28Å; E187-Y190 HydrophobicContact CG-CE2 3.8Å; E187-Y190 PolarHBondContact O-N 2.93Å; E187-H305 IonicContact OE1-CD2 2.72Å; E187-H305 IonicContact OE1-CE1 2.62Å; E187-H305 IonicContact OE1-NE2 2.9Å; E187-H305 PolarHBondContact OE1-NE2 2.72Å
188	R	78.2	Confident	88.1	Confident	209 Å²	209	48.1 Å²	48.1	79%	0.789	22%	0.224	S	C	*	.	H	α-helix	trans	-58.7	-28.8	175.1	-67.3	-177.3	-179	-179.7	0.7	112.5	R192	R188-R192 PolarHBondContact O-N 3.42Å
189	A	83.2	Confident	88	Confident	43 Å²	43	53.9 Å²	53.9	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-44.9	178.6	0	0	0	0	0	112.1	E187 R191 R192 E193	E187-A189 PolarHBondContact O-N 2.78Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 2.98Å; A189-R192 WeakPolarHBondContact O-CB 3.37Å; A189-R192 PolarHBondContact O-N 3.19Å; A189-R192 VanDerWaalsContact O-N 3.15Å; A189-E193 PolarHBondContact O-N 3.35Å; A189-E193 VanDerWaalsContact O-N 3.09Å
190	Y	82.8	Confident	87.9	Confident	42 Å²	42	54.5 Å²	54.5	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-36.2	-178.1	-53.7	-29.3	0	0	0	112.5	E187 R192 E193 I194 N223	E187-Y190 HydrophobicContact CB-CD2 3.7Å; E187-Y190 HydrophobicContact CB-CE2 3.72Å; E187-Y190 HydrophobicContact CB-CG 4.16Å; E187-Y190 HydrophobicContact CG-CD2 4.28Å; E187-Y190 HydrophobicContact CG-CE2 3.8Å; E187-Y190 PolarHBondContact O-N 2.93Å; Y190-R192 VanDerWaalsContact C-N 3.32Å; Y190-R192 PolarHBondContact O-N 2.75Å; Y190-E193 PolarHBondContact O-N 2.87Å; Y190-I194 PolarHBondContact O-N 3.29Å; Y190-N223 HydrophobicContact CD1-CB 4.42Å; Y190-N223 WeakPolarHBondContact CD1-ND2 3.47Å; Y190-N223 HydrophobicContact CD2-CB 3.89Å; Y190-N223 VanDerWaalsContact CD2-ND2 3.3Å; Y190-N223 WeakPolarHBondContact CD2-ND2 3.34Å; Y190-N223 HydrophobicContact CE1-CB 3.98Å; Y190-N223 VanDerWaalsContact CE1-ND2 3.31Å; Y190-N223 WeakPolarHBondContact CE1-ND2 3.32Å; Y190-N223 HydrophobicContact CE2-CB 3.36Å; Y190-N223 HydrophobicContact CG-CB 4.4Å; Y190-N223 VanDerWaalsContact CZ-CB 3.42Å
191	R	85.6	Confident	87.9	Confident	109 Å²	109	52.2 Å²	52.2	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-42.5	173.9	-66.6	-171.1	172.6	155.5	1	111.7	A189 E193 I194 I195 F216	A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 2.98Å; R191-E193 VanDerWaalsContact C-N 3.34Å; R191-I194 PolarHBondContact O-N 3.14Å; R191-I195 VanDerWaalsContact O-CG1 3.28Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 3.29Å; R191-F216 HydrophobicContact CB-CD1 4.16Å; R191-F216 HydrophobicContact CB-CE1 3.84Å; R191-F216 HydrophobicContact CG-CD1 3.7Å; R191-F216 HydrophobicContact CG-CE1 3.85Å; R191-F216 HydrophobicContact CG-CG 4.31Å
192	R	88.1	Confident	88	Confident	160 Å²	160	57.8 Å²	57.8	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-63.1	-41	176.7	-72.6	-173.5	-71.6	-148	-0	111.9	R188 A189 Y190 I195 Q196	R188-R192 PolarHBondContact O-N 3.42Å; A189-R192 WeakPolarHBondContact O-CB 3.37Å; A189-R192 PolarHBondContact O-N 3.19Å; A189-R192 VanDerWaalsContact O-N 3.15Å; Y190-R192 VanDerWaalsContact C-N 3.32Å; Y190-R192 PolarHBondContact O-N 2.75Å; R192-I195 PolarHBondContact O-N 3.2Å; R192-Q196 WeakPolarHBondContact O-CG 3.42Å; R192-Q196 PolarHBondContact O-N 3.49Å
193	E	86.8	Confident	88.1	Confident	48 Å²	48	61.9 Å²	61.9	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-43.4	177.4	-176.6	174.1	-162.2	0	0	112.3	M158 R161 A189 Y190 R191 Q196 A197	M158-E193 HydrophobicContact CE-CG 4.03Å; R161-E193 WeakPolarHBondContact CD-OE1 3.37Å; R161-E193 IonicContact CZ-OE1 2.61Å; R161-E193 IonicContact NE-OE1 2.64Å; R161-E193 IonicContact NH1-OE1 3.81Å; R161-E193 PolarHBondContact NH1-OE1 3.41Å; A189-E193 PolarHBondContact O-N 3.35Å; A189-E193 VanDerWaalsContact O-N 3.09Å; Y190-E193 PolarHBondContact O-N 2.87Å; R191-E193 VanDerWaalsContact C-N 3.34Å; E193-Q196 PolarHBondContact O-N 2.88Å; E193-A197 PolarHBondContact O-N 3.26Å
194	I	90.1	Very high	88.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-43.8	174.5	-70.8	163.7	0	0	0	111.2	Y190 R191 Q196 A197 A198 M212 L215 F216 V219	Y190-I194 PolarHBondContact O-N 3.29Å; R191-I194 PolarHBondContact O-N 3.14Å; I194-Q196 VanDerWaalsContact C-N 3.27Å; I194-Q196 PolarHBondContact O-N 3.1Å; I194-A197 PolarHBondContact O-N 2.79Å; I194-A198 WeakPolarHBondContact O-CB 3.05Å; I194-A198 PolarHBondContact O-N 2.83Å; I194-M212 HydrophobicContact CG2-CE 4.13Å; I194-L215 HydrophobicContact CD1-CG 4.22Å; I194-L215 HydrophobicContact CG2-CD2 3.62Å; I194-L215 HydrophobicContact CG2-CG 4.16Å; I194-F216 HydrophobicContact CB-CD1 4.33Å; I194-F216 HydrophobicContact CB-CE1 3.88Å; I194-F216 HydrophobicContact CD1-CD1 3.35Å; I194-F216 HydrophobicContact CD1-CE1 3.82Å; I194-F216 HydrophobicContact CD1-CG 4.34Å; I194-F216 HydrophobicContact CG1-CD1 4.44Å; I194-F216 HydrophobicContact CG1-CE1 4.48Å; I194-F216 HydrophobicContact CG2-CD1 4.41Å; I194-F216 HydrophobicContact CG2-CE1 3.88Å; I194-V219 HydrophobicContact CD1-CB 3.64Å; I194-V219 HydrophobicContact CD1-CG1 3.89Å; I194-V219 HydrophobicContact CD1-CG2 3.64Å; I194-V219 HydrophobicContact CG1-CB 4.38Å; I194-V219 HydrophobicContact CG1-CG1 4.3Å; I194-V219 HydrophobicContact CG1-CG2 4.02Å
195	I	90.4	Very high	88.5	Confident	86 Å²	86	61.9 Å²	61.9	44%	0.441	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-40.2	178.1	-68.3	165.2	0	0	0	110.5	R191 R192 A198 Q199	R191-I195 VanDerWaalsContact O-CG1 3.28Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 3.29Å; R192-I195 PolarHBondContact O-N 3.2Å; I195-A198 WeakPolarHBondContact O-CB 3.38Å; I195-A198 PolarHBondContact O-N 3.24Å; I195-Q199 WeakPolarHBondContact O-CG 3.44Å; I195-Q199 PolarHBondContact O-N 2.93Å
196	Q	91.5	Very high	89	Confident	101 Å²	101	65.6 Å²	65.6	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-41.7	175.1	-71.8	172.4	-6.8	0	0	111.9	M158 R192 E193 I194 A198 Q199	M158-Q196 HydrophobicContact CE-CB 3.57Å; R192-Q196 WeakPolarHBondContact O-CG 3.42Å; R192-Q196 PolarHBondContact O-N 3.49Å; E193-Q196 PolarHBondContact O-N 2.88Å; I194-Q196 VanDerWaalsContact C-N 3.27Å; I194-Q196 PolarHBondContact O-N 3.1Å; Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.42Å; Q196-Q199 WeakPolarHBondContact O-CB 3.41Å; Q196-Q199 PolarHBondContact O-N 2.74Å
197	A	92.1	Very high	89.9	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-38.5	175	0	0	0	0	0	112	M158 I162 E193 I194 Q199 C200 F201	M158-A197 WeakPolarHBondContact O-CB 3.45Å; I162-A197 HydrophobicContact CG2-CB 3.42Å; I162-A197 VanDerWaalsContact CG2-CB 3.42Å; E193-A197 PolarHBondContact O-N 3.26Å; I194-A197 PolarHBondContact O-N 2.79Å; A197-Q199 PolarHBondContact O-N 3.4Å; A197-C200 VanDerWaalsContact O-CB 3.22Å; A197-C200 WeakPolarHBondContact O-CB 3.46Å; A197-C200 PolarHBondContact O-N 3.35Å; A197-F201 WeakPolarHBondContact O-CD2 3.39Å; A197-F201 WeakPolarHBondContact O-CE2 3.36Å
198	A	93	Very high	90.7	Very high	7 Å²	7	71.6 Å²	71.6	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-33.2	175	0	0	0	0	0	112.2	I194 I195 Q196 C200 F201 F204 T206	I194-A198 WeakPolarHBondContact O-CB 3.05Å; I194-A198 PolarHBondContact O-N 2.83Å; I195-A198 WeakPolarHBondContact O-CB 3.38Å; I195-A198 PolarHBondContact O-N 3.24Å; Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.42Å; A198-C200 PolarHBondContact O-N 2.91Å; A198-F201 PolarHBondContact O-N 2.96Å; A198-F204 HydrophobicContact CB-CB 4.09Å; A198-F204 HydrophobicContact CB-CD1 3.38Å; A198-F204 HydrophobicContact CB-CD2 4.15Å; A198-F204 HydrophobicContact CB-CE1 3.74Å; A198-F204 HydrophobicContact CB-CE2 4.46Å; A198-F204 HydrophobicContact CB-CG 3.59Å; A198-F204 HydrophobicContact CB-CZ 4.27Å; A198-T206 HydrophobicContact CB-CG2 3.95Å
199	Q	94.1	Very high	91.5	Very high	122 Å²	122	70.8 Å²	70.8	57%	0.57	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.2	176.8	-68.4	170	-8.8	0	0	113.5	K146 I195 Q196 A197 F201	K146-Q199 WeakPolarHBondContact CD-O 3.33Å; K146-Q199 WeakPolarHBondContact CE-O 3.4Å; K146-Q199 PolarHBondContact NZ-O 2.85Å; I195-Q199 WeakPolarHBondContact O-CG 3.44Å; I195-Q199 PolarHBondContact O-N 2.93Å; Q196-Q199 WeakPolarHBondContact O-CB 3.41Å; Q196-Q199 PolarHBondContact O-N 2.74Å; A197-Q199 PolarHBondContact O-N 3.4Å; Q199-F201 PolarHBondContact O-N 3.39Å
200	C	94.3	Very high	92	Very high	14 Å²	14	73.3 Å²	73.3	10%	0.095	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.7	174.5	-57.3	0	0	0	0	113.2	K146 S159 A197 A198	K146-C200 PolarHBondContact N-O 2.77Å; S159-C200 WeakPolarHBondContact OG-CB 3.28Å; A197-C200 VanDerWaalsContact O-CB 3.22Å; A197-C200 WeakPolarHBondContact O-CB 3.46Å; A197-C200 PolarHBondContact O-N 3.35Å; A198-C200 PolarHBondContact O-N 2.91Å
201	F	95.6	Very high	92.5	Very high	6 Å²	6	72.4 Å²	72.4	3%	0.026	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-121.7	149.7	-175.8	-57.1	-86.7	0	0	0	110.6	F140 W143 Q144 P145 K146 I162 A197 A198 Q199 F204	F140-F201 AromaticContact CD1-CE1 3.66Å; F140-F201 HydrophobicContact CD1-CE1 3.66Å; F140-F201 AromaticContact CD1-CZ 3.77Å; F140-F201 HydrophobicContact CD1-CZ 3.77Å; F140-F201 HydrophobicContact CE1-CE1 4.07Å; F140-F201 AromaticContact CE1-CZ 3.66Å; F140-F201 HydrophobicContact CE1-CZ 3.66Å; F140-F201 HydrophobicContact CG-CE1 4.2Å; F140-F201 HydrophobicContact CG-CZ 4.5Å; F140-F201 HydrophobicContact CZ-CZ 4.31Å; W143-F201 HydrophobicContact CB-CB 3.89Å; W143-F201 HydrophobicContact CB-CD1 3.64Å; W143-F201 HydrophobicContact CB-CE1 4.4Å; W143-F201 HydrophobicContact CB-CG 3.88Å; W143-F201 HydrophobicContact CE3-CD1 4.44Å; W143-F201 HydrophobicContact CE3-CE1 4.23Å; W143-F201 HydrophobicContact CE3-CE2 4.49Å; W143-F201 HydrophobicContact CE3-CZ 4.26Å; W143-F201 WeakPolarHBondContact O-CB 3.27Å; Q144-F201 WeakPolarHBondContact O-CA 3.11Å; P145-F201 HydrophobicContact CB-CD1 4.08Å; P145-F201 HydrophobicContact CB-CE1 4.13Å; P145-F201 HydrophobicContact CG-CD1 4.04Å; P145-F201 HydrophobicContact CG-CE1 3.96Å; K146-F201 WeakPolarHBondContact CE-O 3.26Å; I162-F201 HydrophobicContact CD1-CE2 3.6Å; I162-F201 HydrophobicContact CD1-CZ 3.96Å; A197-F201 WeakPolarHBondContact O-CD2 3.39Å; A197-F201 WeakPolarHBondContact O-CE2 3.36Å; A198-F201 PolarHBondContact O-N 2.96Å; Q199-F201 PolarHBondContact O-N 3.39Å; F201-F204 HydrophobicContact CB-CB 4.08Å; F201-F204 HydrophobicContact CB-CD2 4.18Å; F201-F204 AromaticContact CD2-CD2 3.62Å; F201-F204 HydrophobicContact CD2-CD2 3.62Å; F201-F204 HydrophobicContact CD2-CE2 4.15Å; F201-F204 HydrophobicContact CE2-CD2 4.28Å; F201-F204 HydrophobicContact CE2-CE2 4.38Å; F201-F204 HydrophobicContact CG-CD2 4.07Å
202	R	95.9	Very high	92.8	Very high	118 Å²	118	68 Å²	68	45%	0.445	33%	0.331	S	S	.	.	S	Bend	trans	-78.9	-40	179.1	-60.9	175.2	-177.8	143.7	3	111.4	W143 Q144 K146 D149	W143-R202 PolarHBondContact O-N 2.97Å; Q144-R202 HydrophobicContact CB-CB 4.07Å; Q144-R202 HydrophobicContact CB-CG 4.44Å; Q144-R202 PolarHBondContact O-N 3.34Å; K146-R202 HydrophobicContact CG-CG 3.77Å; D149-R202 IonicContact OD2-CZ 3.32Å; D149-R202 IonicContact OD2-NH1 3.12Å; D149-R202 PolarHBondContact OD2-NH1 3.06Å; D149-R202 IonicContact OD2-NH2 3.05Å; D149-R202 PolarHBondContact OD2-NH2 2.77Å
203	N	95.8	Very high	93	Very high	88 Å²	88	64.5 Å²	64.5	47%	0.471	33%	0.325	S	S	.	.	S	Bend	trans	-117.7	37.6	-173.1	-63.3	-21.5	0	0	0	112.1	W143 Q144	W143-N203 PolarHBondContact O-N 3.39Å; Q144-N203 PolarHBondContact NE2-ND2 2.78Å; Q144-N203 VanDerWaalsContact NE2-ND2 3.19Å; Q144-N203 PolarHBondContact OE1-ND2 2.92Å
204	F	95.4	Very high	93.3	Very high	15 Å²	15	66.6 Å²	66.6	7%	0.066	34%	0.335	C	S	.	.			trans	-64.8	132.9	172.6	-155.8	-90	0	0	0	109.8	W143 I162 A198 F201 T206 F211 M212 L215	W143-F204 AromaticContact CD2-CD2 3.93Å; W143-F204 HydrophobicContact CD2-CD2 3.93Å; W143-F204 AromaticContact CD2-CE2 3.98Å; W143-F204 HydrophobicContact CD2-CE2 3.98Å; W143-F204 AromaticContact CE3-CD2 3.95Å; W143-F204 HydrophobicContact CE3-CD2 3.95Å; W143-F204 AromaticContact CE3-CE2 3.7Å; W143-F204 HydrophobicContact CE3-CE2 3.7Å; W143-F204 HydrophobicContact CG-CD2 4.22Å; W143-F204 HydrophobicContact CH2-CE2 4.04Å; W143-F204 HydrophobicContact CH2-CZ 4.46Å; W143-F204 HydrophobicContact CZ2-CE2 4.3Å; W143-F204 HydrophobicContact CZ3-CD2 4.46Å; W143-F204 AromaticContact CZ3-CE2 3.75Å; W143-F204 HydrophobicContact CZ3-CE2 3.75Å; I162-F204 HydrophobicContact CD1-CE2 3.77Å; I162-F204 HydrophobicContact CD1-CZ 4.38Å; A198-F204 HydrophobicContact CB-CB 4.09Å; A198-F204 HydrophobicContact CB-CD1 3.38Å; A198-F204 HydrophobicContact CB-CD2 4.15Å; A198-F204 HydrophobicContact CB-CE1 3.74Å; A198-F204 HydrophobicContact CB-CE2 4.46Å; A198-F204 HydrophobicContact CB-CG 3.59Å; A198-F204 HydrophobicContact CB-CZ 4.27Å; F201-F204 HydrophobicContact CB-CB 4.08Å; F201-F204 HydrophobicContact CB-CD2 4.18Å; F201-F204 AromaticContact CD2-CD2 3.62Å; F201-F204 HydrophobicContact CD2-CD2 3.62Å; F201-F204 HydrophobicContact CD2-CE2 4.15Å; F201-F204 HydrophobicContact CE2-CD2 4.28Å; F201-F204 HydrophobicContact CE2-CE2 4.38Å; F201-F204 HydrophobicContact CG-CD2 4.07Å; F204-T206 HydrophobicContact CB-CG2 4.3Å; F204-T206 HydrophobicContact CD1-CG2 3.81Å; F204-T206 PolarHBondContact O-N 3.34Å; F204-F211 AromaticContact CE1-CE1 3.88Å; F204-F211 HydrophobicContact CE1-CE1 3.88Å; F204-F211 HydrophobicContact CZ-CE1 4.05Å; F204-F211 HydrophobicContact CZ-CZ 4.44Å; F204-M212 HydrophobicContact CD1-SD 4.4Å; F204-M212 HydrophobicContact CE1-SD 3.84Å; F204-L215 HydrophobicContact CE1-CD2 4.06Å; F204-L215 HydrophobicContact CZ-CD2 3.75Å
205	P	94.1	Very high	93.4	Very high	33 Å²	33	66.5 Å²	66.5	21%	0.214	33%	0.334	C	S	.	.			trans	-77.1	57.1	-173.6	33.5	-39.5	0	0	0	112.5	T207 D208 F211	P205-T207 PolarHBondContact O-N 2.84Å; P205-D208 HydrophobicContact CB-CB 4.16Å; P205-D208 PolarHBondContact O-N 2.92Å; P205-F211 HydrophobicContact CB-CD1 4.29Å; P205-F211 HydrophobicContact CG-CD1 3.49Å; P205-F211 VanDerWaalsContact CG-CD1 3.49Å; P205-F211 HydrophobicContact CG-CE1 3.47Å; P205-F211 VanDerWaalsContact CG-CE1 3.47Å; P205-F211 HydrophobicContact CG-CG 4.16Å; P205-F211 HydrophobicContact CG-CZ 4.12Å
206	T	92	Very high	93.5	Very high	86 Å²	86	64.6 Å²	64.6	53%	0.528	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.7	-177.3	53.9	0	0	0	0	113.7	A198 F204	A198-T206 HydrophobicContact CB-CG2 3.95Å; F204-T206 HydrophobicContact CB-CG2 4.3Å; F204-T206 HydrophobicContact CD1-CG2 3.81Å; F204-T206 PolarHBondContact O-N 3.34Å
207	T	92.3	Very high	93.6	Very high	137 Å²	137	61.9 Å²	61.9	84%	0.84	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.2	177	54.8	0	0	0	0	113.4	P205 R209	P205-T207 PolarHBondContact O-N 2.84Å; T207-R209 PolarHBondContact O-N 3.08Å; T207-R209 VanDerWaalsContact O-N 3.13Å
208	D	94.6	Very high	93.7	Very high	75 Å²	75	62.2 Å²	62.2	40%	0.401	31%	0.31	S	S	.	.			trans	-78	97.4	172.9	-175.8	-20.5	0	0	0	109.3	P205 V210 F211 M212	P205-D208 HydrophobicContact CB-CB 4.16Å; P205-D208 PolarHBondContact O-N 2.92Å; D208-V210 VanDerWaalsContact C-N 3.3Å; D208-V210 PolarHBondContact O-N 3.16Å; D208-V210 PolarHBondContact OD1-N 3.1Å; D208-F211 HydrophobicContact CB-CB 3.92Å; D208-F211 VanDerWaalsContact CG-CB 3.46Å; D208-F211 PolarHBondContact O-N 2.9Å; D208-F211 PolarHBondContact OD1-N 3.29Å; D208-M212 WeakPolarHBondContact O-CB 3.4Å; D208-M212 VanDerWaalsContact O-CG 3.24Å; D208-M212 WeakPolarHBondContact O-CG 3.38Å; D208-M212 PolarHBondContact O-N 3.17Å
209	R	93.2	Very high	93.7	Very high	193 Å²	193	62.6 Å²	62.6	73%	0.728	31%	0.312	S	S	*	.	H	α-helix	trans	-61.3	-37.9	-178.1	-174.6	177.7	175.4	178	1.5	112.6	T207 M212 D213	T207-R209 PolarHBondContact O-N 3.08Å; T207-R209 VanDerWaalsContact O-N 3.13Å; R209-M212 PolarHBondContact O-N 2.92Å; R209-D213 IonicContact NE-OD2 3.77Å; R209-D213 WeakPolarHBondContact O-CB 3.36Å; R209-D213 VanDerWaalsContact O-CG 3.31Å; R209-D213 PolarHBondContact O-N 2.79Å
210	V	93.8	Very high	93.6	Very high	96 Å²	96	57 Å²	57	58%	0.582	29%	0.287	S	S	*	.	H	α-helix	trans	-67.9	-47.9	-177.2	177.8	0	0	0	0	109.5	D208 M212 D213 Q214	D208-V210 VanDerWaalsContact C-N 3.3Å; D208-V210 PolarHBondContact O-N 3.16Å; D208-V210 PolarHBondContact OD1-N 3.1Å; V210-M212 PolarHBondContact O-N 3.03Å; V210-D213 PolarHBondContact O-N 3.07Å; V210-Q214 WeakPolarHBondContact O-CG 3.45Å; V210-Q214 PolarHBondContact O-N 2.98Å; V210-Q214 VanDerWaalsContact O-N 3.1Å
211	F	93.4	Very high	93.6	Very high	23 Å²	23	56.3 Å²	56.3	10%	0.101	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-47.1	175.6	173	-96.8	0	0	0	111.8	W143 F169 F204 P205 D208 Q214 L215	W143-F211 HydrophobicContact CH2-CZ 4.12Å; W143-F211 HydrophobicContact CZ2-CE1 4.46Å; W143-F211 HydrophobicContact CZ2-CE2 4.19Å; W143-F211 AromaticContact CZ2-CZ 3.61Å; W143-F211 HydrophobicContact CZ2-CZ 3.61Å; F169-F211 HydrophobicContact CD2-CE2 4.37Å; F169-F211 HydrophobicContact CE1-CD2 4.02Å; F169-F211 HydrophobicContact CE1-CE2 4.05Å; F169-F211 HydrophobicContact CE2-CD2 4.49Å; F169-F211 AromaticContact CE2-CE2 3.76Å; F169-F211 HydrophobicContact CE2-CE2 3.76Å; F169-F211 HydrophobicContact CE2-CZ 4.29Å; F169-F211 AromaticContact CZ-CD2 3.85Å; F169-F211 HydrophobicContact CZ-CD2 3.85Å; F169-F211 AromaticContact CZ-CE2 3.57Å; F169-F211 HydrophobicContact CZ-CE2 3.57Å; F169-F211 HydrophobicContact CZ-CZ 4.32Å; F204-F211 AromaticContact CE1-CE1 3.88Å; F204-F211 HydrophobicContact CE1-CE1 3.88Å; F204-F211 HydrophobicContact CZ-CE1 4.05Å; F204-F211 HydrophobicContact CZ-CZ 4.44Å; P205-F211 HydrophobicContact CB-CD1 4.29Å; P205-F211 HydrophobicContact CG-CD1 3.49Å; P205-F211 VanDerWaalsContact CG-CD1 3.49Å; P205-F211 HydrophobicContact CG-CE1 3.47Å; P205-F211 VanDerWaalsContact CG-CE1 3.47Å; P205-F211 HydrophobicContact CG-CG 4.16Å; P205-F211 HydrophobicContact CG-CZ 4.12Å; D208-F211 HydrophobicContact CB-CB 3.92Å; D208-F211 VanDerWaalsContact CG-CB 3.46Å; D208-F211 PolarHBondContact O-N 2.9Å; D208-F211 PolarHBondContact OD1-N 3.29Å; F211-Q214 PolarHBondContact O-N 3.15Å; F211-L215 HydrophobicContact CE1-CB 4.49Å; F211-L215 HydrophobicContact CE1-CD2 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.17Å; F211-L215 WeakPolarHBondContact O-CB 3.39Å; F211-L215 PolarHBondContact O-N 3.45Å
212	M	92.8	Very high	93.5	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-42.2	-178	-71.7	-61.2	-63.8	0	0	112.3	I194 F204 D208 R209 V210 Q214 L215 F216	I194-M212 HydrophobicContact CG2-CE 4.13Å; F204-M212 HydrophobicContact CD1-SD 4.4Å; F204-M212 HydrophobicContact CE1-SD 3.84Å; D208-M212 WeakPolarHBondContact O-CB 3.4Å; D208-M212 VanDerWaalsContact O-CG 3.24Å; D208-M212 WeakPolarHBondContact O-CG 3.38Å; D208-M212 PolarHBondContact O-N 3.17Å; R209-M212 PolarHBondContact O-N 2.92Å; V210-M212 PolarHBondContact O-N 3.03Å; M212-Q214 VanDerWaalsContact C-N 3.33Å; M212-Q214 PolarHBondContact O-N 3.21Å; M212-L215 PolarHBondContact O-N 3.42Å; M212-L215 HydrophobicContact SD-CD2 4.47Å; M212-F216 HydrophobicContact CB-CE2 4.18Å; M212-F216 HydrophobicContact CE-CE1 4.31Å; M212-F216 HydrophobicContact CE-CE2 3.88Å; M212-F216 HydrophobicContact CE-CZ 3.57Å; M212-F216 WeakPolarHBondContact O-CD2 3.32Å; M212-F216 WeakPolarHBondContact O-CG 3.43Å; M212-F216 PolarHBondContact O-N 3.49Å
213	D	91.7	Very high	93.3	Very high	88 Å²	88	52 Å²	52	47%	0.471	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.8	-76.5	-17.9	0	0	0	111.2	R209 V210 R217	R209-D213 IonicContact NE-OD2 3.77Å; R209-D213 WeakPolarHBondContact O-CB 3.36Å; R209-D213 VanDerWaalsContact O-CG 3.31Å; R209-D213 PolarHBondContact O-N 2.79Å; V210-D213 PolarHBondContact O-N 3.07Å; D213-R217 WeakPolarHBondContact O-CB 3.29Å; D213-R217 PolarHBondContact O-N 3.37Å
214	Q	92.4	Very high	93.1	Very high	92 Å²	92	48.5 Å²	48.5	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-64.7	-45.6	173.5	-74.6	179.2	-9.5	0	0	112.2	F169 V210 F211 M212 F216 R217 I218	F169-Q214 HydrophobicContact CE1-CB 3.96Å; F169-Q214 HydrophobicContact CZ-CB 4.15Å; V210-Q214 WeakPolarHBondContact O-CG 3.45Å; V210-Q214 PolarHBondContact O-N 2.98Å; V210-Q214 VanDerWaalsContact O-N 3.1Å; F211-Q214 PolarHBondContact O-N 3.15Å; M212-Q214 VanDerWaalsContact C-N 3.33Å; M212-Q214 PolarHBondContact O-N 3.21Å; Q214-F216 PolarHBondContact O-N 3.45Å; Q214-R217 WeakPolarHBondContact O-CB 3.2Å; Q214-R217 PolarHBondContact O-N 2.85Å; Q214-R217 VanDerWaalsContact O-N 3.13Å; Q214-I218 VanDerWaalsContact O-CG1 3.29Å; Q214-I218 WeakPolarHBondContact O-CG1 3.41Å; Q214-I218 PolarHBondContact O-N 3.09Å
215	L	93.4	Very high	93.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-43.8	178.2	178.3	60.4	0	0	0	111.6	A165 F169 I194 F204 F211 M212 R217 I218 V219	A165-L215 HydrophobicContact CB-CD1 3.74Å; F169-L215 HydrophobicContact CE2-CB 4.4Å; F169-L215 HydrophobicContact CE2-CD1 4.11Å; F169-L215 HydrophobicContact CZ-CB 4.15Å; I194-L215 HydrophobicContact CD1-CG 4.22Å; I194-L215 HydrophobicContact CG2-CD2 3.62Å; I194-L215 HydrophobicContact CG2-CG 4.16Å; F204-L215 HydrophobicContact CE1-CD2 4.06Å; F204-L215 HydrophobicContact CZ-CD2 3.75Å; F211-L215 HydrophobicContact CE1-CB 4.49Å; F211-L215 HydrophobicContact CE1-CD2 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.17Å; F211-L215 WeakPolarHBondContact O-CB 3.39Å; F211-L215 PolarHBondContact O-N 3.45Å; M212-L215 PolarHBondContact O-N 3.42Å; M212-L215 HydrophobicContact SD-CD2 4.47Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.35Å; L215-I218 PolarHBondContact O-N 2.87Å; L215-V219 HydrophobicContact CD1-CG2 4.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 3.02Å
216	F	92.7	Very high	93.1	Very high	45 Å²	45	47.5 Å²	47.5	20%	0.197	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-40.2	174.5	-70.8	-50.3	0	0	0	111.9	R191 I194 M212 Q214 G220	R191-F216 HydrophobicContact CB-CD1 4.16Å; R191-F216 HydrophobicContact CB-CE1 3.84Å; R191-F216 HydrophobicContact CG-CD1 3.7Å; R191-F216 HydrophobicContact CG-CE1 3.85Å; R191-F216 HydrophobicContact CG-CG 4.31Å; I194-F216 HydrophobicContact CB-CD1 4.33Å; I194-F216 HydrophobicContact CB-CE1 3.88Å; I194-F216 HydrophobicContact CD1-CD1 3.35Å; I194-F216 HydrophobicContact CD1-CE1 3.82Å; I194-F216 HydrophobicContact CD1-CG 4.34Å; I194-F216 HydrophobicContact CG1-CD1 4.44Å; I194-F216 HydrophobicContact CG1-CE1 4.48Å; I194-F216 HydrophobicContact CG2-CD1 4.41Å; I194-F216 HydrophobicContact CG2-CE1 3.88Å; M212-F216 HydrophobicContact CB-CE2 4.18Å; M212-F216 HydrophobicContact CE-CE1 4.31Å; M212-F216 HydrophobicContact CE-CE2 3.88Å; M212-F216 HydrophobicContact CE-CZ 3.57Å; M212-F216 WeakPolarHBondContact O-CD2 3.32Å; M212-F216 WeakPolarHBondContact O-CG 3.43Å; M212-F216 PolarHBondContact O-N 3.49Å; Q214-F216 PolarHBondContact O-N 3.45Å; F216-G220 PolarHBondContact O-N 3.32Å
217	R	92.3	Very high	93.3	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-52.3	176.3	178	62.9	-179.5	-177.5	9.6	111.2	A29 C31 D180 M182 A184 D213 Q214 L215 V219 G220 V221	A29-R217 PolarHBondContact O-NH1 2.97Å; C31-R217 VanDerWaalsContact CB-NH2 3.35Å; C31-R217 VanDerWaalsContact N-NH2 3.11Å; D180-R217 PolarHBondContact O-NH2 2.83Å; M182-R217 PolarHBondContact O-NH2 3.13Å; A184-R217 VanDerWaalsContact CB-NH1 3.32Å; D213-R217 WeakPolarHBondContact O-CB 3.29Å; D213-R217 PolarHBondContact O-N 3.37Å; Q214-R217 WeakPolarHBondContact O-CB 3.2Å; Q214-R217 PolarHBondContact O-N 2.85Å; Q214-R217 VanDerWaalsContact O-N 3.13Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.35Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.4Å; R217-G220 WeakPolarHBondContact O-CA 3.48Å; R217-G220 PolarHBondContact O-N 3.36Å; R217-G220 VanDerWaalsContact O-N 3.11Å; R217-V221 WeakPolarHBondContact O-CG2 3.47Å; R217-V221 PolarHBondContact O-N 3.1Å
218	I	94.4	Very high	93.4	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-57.2	-48.1	-179.3	-68.6	165.1	0	0	0	110.5	A165 V168 F169 Q214 L215 G220 V221 L222	A165-I218 HydrophobicContact CB-CG2 3.7Å; V168-I218 HydrophobicContact CB-CD1 4.17Å; V168-I218 HydrophobicContact CB-CG1 4.49Å; V168-I218 HydrophobicContact CB-CG2 3.83Å; V168-I218 HydrophobicContact CG1-CD1 3.69Å; V168-I218 HydrophobicContact CG1-CG1 3.83Å; V168-I218 HydrophobicContact CG1-CG2 3.96Å; V168-I218 HydrophobicContact CG2-CG2 3.85Å; F169-I218 HydrophobicContact CD1-CD1 4.38Å; F169-I218 HydrophobicContact CD2-CD1 4.13Å; F169-I218 HydrophobicContact CE1-CD1 4.01Å; F169-I218 HydrophobicContact CE2-CD1 3.75Å; F169-I218 HydrophobicContact CG-CD1 4.45Å; F169-I218 HydrophobicContact CZ-CD1 3.69Å; Q214-I218 VanDerWaalsContact O-CG1 3.29Å; Q214-I218 WeakPolarHBondContact O-CG1 3.41Å; Q214-I218 PolarHBondContact O-N 3.09Å; L215-I218 PolarHBondContact O-N 2.87Å; I218-G220 VanDerWaalsContact C-N 3.32Å; I218-G220 PolarHBondContact O-N 3.38Å; I218-V221 WeakPolarHBondContact O-CB 3.35Å; I218-V221 PolarHBondContact O-N 3.47Å; I218-V221 VanDerWaalsContact O-N 3.17Å; I218-L222 HydrophobicContact CG2-CD1 3.93Å; I218-L222 HydrophobicContact CG2-CG 4.37Å; I218-L222 WeakPolarHBondContact O-CG 3.36Å; I218-L222 PolarHBondContact O-N 3.18Å
219	V	93.3	Very high	93.3	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-38.3	178.4	169.6	0	0	0	0	111.6	A165 I194 L215 R217 V221 L222 N223	A165-V219 HydrophobicContact CB-CG2 3.84Å; I194-V219 HydrophobicContact CD1-CB 3.64Å; I194-V219 HydrophobicContact CD1-CG1 3.89Å; I194-V219 HydrophobicContact CD1-CG2 3.64Å; I194-V219 HydrophobicContact CG1-CB 4.38Å; I194-V219 HydrophobicContact CG1-CG1 4.3Å; I194-V219 HydrophobicContact CG1-CG2 4.02Å; L215-V219 HydrophobicContact CD1-CG2 4.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 3.02Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.4Å; V219-V221 VanDerWaalsContact C-N 3.33Å; V219-V221 PolarHBondContact O-N 2.75Å; V219-L222 PolarHBondContact O-N 3.22Å; V219-N223 WeakPolarHBondContact CG1-ND2 3.36Å; V219-N223 WeakPolarHBondContact O-CB 3.42Å; V219-N223 VanDerWaalsContact O-CG 3.3Å; V219-N223 PolarHBondContact O-N 3.15Å; V219-N223 PolarHBondContact O-ND2 3.45Å
220	G	92.4	Very high	93.2	Very high	4 Å²	4	28.4 Å²	28.4	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-42.3	172.3	0	0	0	0	0	112.7	F216 R217 I218 T224	F216-G220 PolarHBondContact O-N 3.32Å; R217-G220 WeakPolarHBondContact O-CA 3.48Å; R217-G220 PolarHBondContact O-N 3.36Å; R217-G220 VanDerWaalsContact O-N 3.11Å; I218-G220 VanDerWaalsContact C-N 3.32Å; I218-G220 PolarHBondContact O-N 3.38Å; G220-T224 WeakPolarHBondContact O-CB 3.41Å; G220-T224 PolarHBondContact O-N 3.42Å; G220-T224 PolarHBondContact O-OG1 3.26Å
221	V	94.1	Very high	93.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-50.7	174.7	170.2	0	0	0	0	110.5	V179 M182 A184 R217 I218 V219 N223 T224 N225 L243	V179-V221 HydrophobicContact CG1-CB 4.24Å; V179-V221 HydrophobicContact CG1-CG1 3.91Å; V179-V221 HydrophobicContact CG1-CG2 4.4Å; V179-V221 WeakPolarHBondContact O-CG2 3.36Å; M182-V221 HydrophobicContact CB-CG1 3.6Å; M182-V221 HydrophobicContact CB-CG2 4.25Å; M182-V221 HydrophobicContact CG-CG1 4.11Å; A184-V221 HydrophobicContact CB-CG2 3.72Å; R217-V221 WeakPolarHBondContact O-CG2 3.47Å; R217-V221 PolarHBondContact O-N 3.1Å; I218-V221 WeakPolarHBondContact O-CB 3.35Å; I218-V221 PolarHBondContact O-N 3.47Å; I218-V221 VanDerWaalsContact O-N 3.17Å; V219-V221 VanDerWaalsContact C-N 3.33Å; V219-V221 PolarHBondContact O-N 2.75Å; V221-N223 VanDerWaalsContact C-N 3.33Å; V221-N223 PolarHBondContact O-N 3.5Å; V221-T224 PolarHBondContact O-N 3.28Å; V221-T224 VanDerWaalsContact O-N 3.16Å; V221-N225 WeakPolarHBondContact O-CB 3.44Å; V221-N225 PolarHBondContact O-N 3.41Å; V221-N225 PolarHBondContact O-ND2 3.17Å; V221-L243 HydrophobicContact CG1-CD2 4.3Å
222	L	94.3	Very high	93	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-42.8	-179.7	-68.7	172.2	0	0	0	111.3	V88 T164 A165 I218 V219 T224 A226 R241 L243	V88-L222 HydrophobicContact CG1-CD2 4.3Å; T164-L222 HydrophobicContact CG2-CD1 4.02Å; T164-L222 HydrophobicContact CG2-CD2 4.2Å; A165-L222 HydrophobicContact CB-CD1 4.16Å; I218-L222 HydrophobicContact CG2-CD1 3.93Å; I218-L222 HydrophobicContact CG2-CG 4.37Å; I218-L222 WeakPolarHBondContact O-CG 3.36Å; I218-L222 PolarHBondContact O-N 3.18Å; V219-L222 PolarHBondContact O-N 3.22Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.04Å; L222-A226 HydrophobicContact CD2-CB 4.38Å; L222-A226 WeakPolarHBondContact O-CB 3.33Å; L222-A226 PolarHBondContact O-N 2.98Å; L222-R241 PolarHBondContact O-NH2 3.34Å; L222-L243 HydrophobicContact CD2-CB 4.15Å; L222-L243 HydrophobicContact CD2-CD2 4.35Å
223	N	91.4	Very high	92.8	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-66.5	-30.9	177.5	-71.7	-23.8	0	0	0	113.6	Y190 V219 V221 R241	Y190-N223 HydrophobicContact CD1-CB 4.42Å; Y190-N223 WeakPolarHBondContact CD1-ND2 3.47Å; Y190-N223 HydrophobicContact CD2-CB 3.89Å; Y190-N223 VanDerWaalsContact CD2-ND2 3.3Å; Y190-N223 WeakPolarHBondContact CD2-ND2 3.34Å; Y190-N223 HydrophobicContact CE1-CB 3.98Å; Y190-N223 VanDerWaalsContact CE1-ND2 3.31Å; Y190-N223 WeakPolarHBondContact CE1-ND2 3.32Å; Y190-N223 HydrophobicContact CE2-CB 3.36Å; Y190-N223 HydrophobicContact CG-CB 4.4Å; Y190-N223 VanDerWaalsContact CZ-CB 3.42Å; V219-N223 WeakPolarHBondContact CG1-ND2 3.36Å; V219-N223 WeakPolarHBondContact O-CB 3.42Å; V219-N223 VanDerWaalsContact O-CG 3.3Å; V219-N223 PolarHBondContact O-N 3.15Å; V219-N223 PolarHBondContact O-ND2 3.45Å; V221-N223 VanDerWaalsContact C-N 3.33Å; V221-N223 PolarHBondContact O-N 3.5Å; N223-R241 VanDerWaalsContact N-NH2 3.17Å; N223-R241 PolarHBondContact OD1-NH1 3.41Å; N223-R241 VanDerWaalsContact OD1-NH1 3.07Å; N223-R241 PolarHBondContact OD1-NH2 2.7Å
224	T	91.1	Very high	92.3	Very high	14 Å²	14	30.6 Å²	30.6	9%	0.086	17%	0.167	C	C	.	.	H	α-helix	trans	-81.1	-39.4	178.9	-53.7	0	0	0	0	112.1	Q183 N185 G220 V221 L222 K304	Q183-T224 HydrophobicContact CB-CG2 4.29Å; Q183-T224 HydrophobicContact CG-CG2 4.01Å; N185-T224 PolarHBondContact N-OG1 3.4Å; G220-T224 WeakPolarHBondContact O-CB 3.41Å; G220-T224 PolarHBondContact O-N 3.42Å; G220-T224 PolarHBondContact O-OG1 3.26Å; V221-T224 PolarHBondContact O-N 3.28Å; V221-T224 VanDerWaalsContact O-N 3.16Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.04Å; T224-K304 PolarHBondContact O-NZ 2.92Å
225	N	94.8	Very high	91.9	Very high	16 Å²	16	30.6 Å²	30.6	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-120	-17.4	-161.5	-56.5	-76.5	0	0	0	115.4	M182 Q183 V221 F227 L243 A248	M182-N225 HydrophobicContact CE-CB 4.06Å; Q183-N225 PolarHBondContact O-ND2 3.16Å; V221-N225 WeakPolarHBondContact O-CB 3.44Å; V221-N225 PolarHBondContact O-N 3.41Å; V221-N225 PolarHBondContact O-ND2 3.17Å; N225-F227 WeakPolarHBondContact O-CD2 3.29Å; N225-F227 VanDerWaalsContact O-CE2 3.32Å; N225-F227 WeakPolarHBondContact O-CE2 3.47Å; N225-L243 HydrophobicContact CB-CD1 3.67Å; N225-A248 HydrophobicContact CB-CB 3.76Å
226	A	95.5	Very high	91.5	Very high	12 Å²	12	32.3 Å²	32.3	10%	0.099	20%	0.2	C	C	.	.			trans	-76.9	148.2	-176.8	0	0	0	0	0	111.8	L222 R241 G242	L222-A226 HydrophobicContact CD2-CB 4.38Å; L222-A226 WeakPolarHBondContact O-CB 3.33Å; L222-A226 PolarHBondContact O-N 2.98Å; A226-R241 HydrophobicContact CB-CG 3.86Å; A226-G242 CarbonylContact C-O 3.35Å; A226-G242 VanDerWaalsContact CA-O 3.29Å; A226-G242 WeakPolarHBondContact CA-O 3.22Å; A226-G242 WeakPolarHBondContact CB-O 3.24Å
227	F	95.1	Very high	91.4	Very high	27 Å²	27	34.3 Å²	34.3	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.2	179	-64.1	-93.4	0	0	0	110.2	N225 R241 G242 F244 T247 A248 F262	N225-F227 WeakPolarHBondContact O-CD2 3.29Å; N225-F227 VanDerWaalsContact O-CE2 3.32Å; N225-F227 WeakPolarHBondContact O-CE2 3.47Å; F227-R241 CarbonylContact O-C 3.56Å; F227-R241 WeakPolarHBondContact O-CA 3.34Å; F227-G242 PolarHBondContact N-O 3.22Å; F227-G242 PolarHBondContact O-N 3.07Å; F227-F244 HydrophobicContact CB-CD2 4.31Å; F227-F244 HydrophobicContact CD2-CB 4.27Å; F227-F244 AromaticContact CD2-CD2 3.98Å; F227-F244 HydrophobicContact CD2-CD2 3.98Å; F227-F244 HydrophobicContact CE2-CB 4.41Å; F227-T247 HydrophobicContact CE2-CG2 3.99Å; F227-T247 HydrophobicContact CZ-CG2 3.86Å; F227-A248 HydrophobicContact CE2-CB 3.92Å; F227-A248 HydrophobicContact CZ-CB 4.46Å; F227-F262 HydrophobicContact CB-CE1 4.07Å; F227-F262 HydrophobicContact CB-CE2 3.94Å; F227-F262 HydrophobicContact CB-CZ 3.43Å; F227-F262 VanDerWaalsContact CB-CZ 3.43Å; F227-F262 HydrophobicContact CD1-CE2 4.1Å; F227-F262 AromaticContact CD1-CZ 3.68Å; F227-F262 HydrophobicContact CD1-CZ 3.68Å; F227-F262 HydrophobicContact CD2-CZ 4.09Å; F227-F262 HydrophobicContact CE1-CZ 4.44Å; F227-F262 HydrophobicContact CG-CE1 4.27Å; F227-F262 HydrophobicContact CG-CE2 4.19Å; F227-F262 AromaticContact CG-CZ 3.47Å; F227-F262 HydrophobicContact CG-CZ 3.47Å; F227-F262 VanDerWaalsContact CG-CZ 3.47Å
228	E	93.8	Very high	91.3	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.1	168.7	-64.6	-179.1	168	0	0	109.7	S2 T3 T92 R94 L240	S2-E228 WeakPolarHBondContact CA-O 3.5Å; S2-E228 WeakPolarHBondContact CB-O 3.44Å; S2-E228 PolarHBondContact OG-N 3.36Å; S2-E228 PolarHBondContact OG-O 2.97Å; T3-E228 PolarHBondContact OG1-OE2 2.94Å; T92-E228 HydrophobicContact CG2-CG 3.99Å; R94-E228 IonicContact CZ-OE1 2.99Å; R94-E228 IonicContact CZ-OE2 3.72Å; R94-E228 VanDerWaalsContact CZ-OE2 3.3Å; R94-E228 IonicContact NE-OE1 3.34Å; R94-E228 IonicContact NH1-OE2 3.53Å; R94-E228 IonicContact NH2-OE1 2.8Å; R94-E228 PolarHBondContact NH2-OE1 2.85Å; R94-E228 IonicContact NH2-OE2 2.8Å; R94-E228 PolarHBondContact NH2-OE2 3.15Å; E228-L240 CarbonylContact C-O 3.6Å; E228-L240 VanDerWaalsContact CA-O 3.23Å; E228-L240 WeakPolarHBondContact CA-O 3.5Å
229	A	92.7	Very high	91.2	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.6	-179.9	0	0	0	0	0	111.5	L240 F262	A229-L240 PolarHBondContact N-O 3.24Å; A229-L240 PolarHBondContact O-N 3.34Å; A229-F262 HydrophobicContact CB-CB 3.52Å; A229-F262 HydrophobicContact CB-CD1 4.37Å; A229-F262 HydrophobicContact CB-CD2 3.79Å; A229-F262 HydrophobicContact CB-CG 3.63Å
230	P	91.4	Very high	91.2	Very high	49 Å²	49	33.6 Å²	33.6	32%	0.318	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.3	176.3	28	-32.3	0	0	0	110.7	E237 T238 L239 N264 G265	P230-E237 HydrophobicContact CB-CG 3.87Å; P230-T238 CarbonylContact C-O 3.51Å; P230-L239 HydrophobicContact CB-CD2 4.34Å; P230-N264 CarbonylContact O-C 3.6Å; P230-G265 PolarHBondContact O-N 2.94Å; P230-G265 VanDerWaalsContact O-N 3.07Å
231	C	92.7	Very high	91.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.7	170	178.1	0	0	0	0	107.9	H105 E237 T238 L240 N264	H105-C231 VanDerWaalsContact CD2-SG 3.59Å; C231-E237 WeakPolarHBondContact O-CA 3.45Å; C231-T238 HydrophobicContact CB-CG2 4.2Å; C231-T238 PolarHBondContact N-O 3.06Å; C231-T238 PolarHBondContact O-N 3.19Å; C231-L240 HydrophobicContact CB-CD1 3.5Å; C231-L240 HydrophobicContact CB-CD2 4.49Å; C231-L240 HydrophobicContact CB-CG 3.58Å; C231-N264 VanDerWaalsContact CA-OD1 3.24Å; C231-N264 WeakPolarHBondContact CA-OD1 3.17Å; C231-N264 PolarHBondContact SG-OD1 2.88Å
232	R	91.2	Very high	91.5	Very high	165 Å²	165	35.7 Å²	35.7	62%	0.623	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106	120.6	178.2	-65.3	-178.3	179.5	173.9	3.1	108.8	H236 E237 N264	R232-H236 CarbonylContact C-O 3.38Å; R232-H236 VanDerWaalsContact CA-O 3.28Å; R232-H236 WeakPolarHBondContact CA-O 3.47Å; R232-E237 HydrophobicContact CG-CB 4.22Å; R232-E237 HydrophobicContact CG-CG 4.08Å; R232-E237 IonicContact CZ-OE2 3.96Å; R232-E237 IonicContact NE-OE2 2.66Å; R232-E237 PolarHBondContact NE-OE2 3.3Å; R232-E237 IonicContact NH2-OE2 3.5Å; R232-E237 PolarHBondContact NH2-OE2 3.26Å; R232-N264 PolarHBondContact N-OD1 3.46Å; R232-N264 PolarHBondContact O-OD1 3.23Å
233	S	88.6	Confident	91.7	Very high	27 Å²	27	35.4 Å²	35.4	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.4	179.1	-165.5	0	0	0	0	109.3	C104 E106 G235 H236	C104-S233 WeakPolarHBondContact O-CB 3.4Å; C104-S233 PolarHBondContact O-OG 3.41Å; E106-S233 WeakPolarHBondContact CG-OG 3.4Å; S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 2.83Å; S233-H236 PolarHBondContact N-O 3.28Å; S233-H236 WeakPolarHBondContact O-CB 3.28Å; S233-H236 PolarHBondContact O-N 3.2Å
234	G	81.9	Confident	92	Very high	72 Å²	72	34.2 Å²	34.2	74%	0.742	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	33.3	178.5	0	0	0	0	0	115.1	H236	G234-H236 PolarHBondContact O-N 3.39Å
235	G	82.3	Confident	92.3	Very high	93 Å²	93	33.5 Å²	33.5	96%	0.959	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	2.7	-176.2	0	0	0	0	0	115.1	S233	S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 2.83Å
236	H	86.4	Confident	92.5	Very high	38 Å²	38	32.8 Å²	32.8	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.6	174.6	179.8	67.2	0	0	0	111.1	S100 T107 R232 S233 G234	S100-H236 PolarHBondContact OG-NE2 3.3Å; T107-H236 WeakPolarHBondContact OG1-CB 3.37Å; T107-H236 PolarHBondContact OG1-ND1 2.89Å; R232-H236 CarbonylContact C-O 3.38Å; R232-H236 VanDerWaalsContact CA-O 3.28Å; R232-H236 WeakPolarHBondContact CA-O 3.47Å; S233-H236 PolarHBondContact N-O 3.28Å; S233-H236 WeakPolarHBondContact O-CB 3.28Å; S233-H236 PolarHBondContact O-N 3.2Å; G234-H236 PolarHBondContact O-N 3.39Å
237	E	89.6	Confident	92.6	Very high	86 Å²	86	32.2 Å²	32.2	40%	0.402	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.2	173.5	-171.8	176.7	106.4	0	0	110	P230 C231 R232	P230-E237 HydrophobicContact CB-CG 3.87Å; C231-E237 WeakPolarHBondContact O-CA 3.45Å; R232-E237 HydrophobicContact CG-CB 4.22Å; R232-E237 HydrophobicContact CG-CG 4.08Å; R232-E237 IonicContact CZ-OE2 3.96Å; R232-E237 IonicContact NE-OE2 2.66Å; R232-E237 PolarHBondContact NE-OE2 3.3Å; R232-E237 IonicContact NH2-OE2 3.5Å; R232-E237 PolarHBondContact NH2-OE2 3.26Å
238	T	91	Very high	92.7	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.5	172.9	-163.3	0	0	0	0	110.6	Q97 S100 H105 P230 C231 L240	Q97-T238 VanDerWaalsContact OE1-CA 3.28Å; Q97-T238 PolarHBondContact OE1-OG1 3.48Å; S100-T238 PolarHBondContact OG-OG1 3.02Å; H105-T238 HydrophobicContact CB-CG2 3.8Å; P230-T238 CarbonylContact C-O 3.51Å; C231-T238 HydrophobicContact CB-CG2 4.2Å; C231-T238 PolarHBondContact N-O 3.06Å; C231-T238 PolarHBondContact O-N 3.19Å; T238-L240 HydrophobicContact CG2-CD2 4.07Å
239	L	92.3	Very high	92.8	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.1	175.1	-71.9	174.6	0	0	0	110.4	T92 P230	T92-L239 HydrophobicContact CG2-CB 3.94Å; T92-L239 VanDerWaalsContact CG2-O 3.31Å; T92-L239 WeakPolarHBondContact CG2-O 3.32Å; T92-L239 PolarHBondContact N-O 3.36Å; T92-L239 PolarHBondContact OG1-O 3.19Å; P230-L239 HydrophobicContact CB-CD2 4.34Å
240	L	93.6	Very high	93	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	150.1	170	-59.2	-174.3	0	0	0	110.6	H105 E228 A229 C231 T238 R266	H105-L240 VanDerWaalsContact CE1-CD2 3.5Å; H105-L240 WeakPolarHBondContact CE1-CD2 3.38Å; H105-L240 WeakPolarHBondContact NE2-CD1 3.4Å; E228-L240 CarbonylContact C-O 3.6Å; E228-L240 VanDerWaalsContact CA-O 3.23Å; E228-L240 WeakPolarHBondContact CA-O 3.5Å; A229-L240 PolarHBondContact N-O 3.24Å; A229-L240 PolarHBondContact O-N 3.34Å; C231-L240 HydrophobicContact CB-CD1 3.5Å; C231-L240 HydrophobicContact CB-CD2 4.49Å; C231-L240 HydrophobicContact CB-CG 3.58Å; T238-L240 HydrophobicContact CG2-CD2 4.07Å; L240-R266 HydrophobicContact CD1-CG 4.43Å
241	R	95	Very high	93.2	Very high	47 Å²	47	30.3 Å²	30.3	18%	0.177	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.3	167.7	-172.7	179.4	-174.9	-177.5	4.7	108.4	T89 G90 T92 L222 N223 A226 F227	T89-R241 CarbonylContact C-O 3.59Å; T89-R241 WeakPolarHBondContact CA-O 3.27Å; G90-R241 PolarHBondContact N-O 3.08Å; G90-R241 PolarHBondContact O-N 2.75Å; T92-R241 HydrophobicContact CG2-CB 4.14Å; L222-R241 PolarHBondContact O-NH2 3.34Å; N223-R241 VanDerWaalsContact N-NH2 3.17Å; N223-R241 PolarHBondContact OD1-NH1 3.41Å; N223-R241 VanDerWaalsContact OD1-NH1 3.07Å; N223-R241 PolarHBondContact OD1-NH2 2.7Å; A226-R241 HydrophobicContact CB-CG 3.86Å; F227-R241 CarbonylContact O-C 3.56Å; F227-R241 WeakPolarHBondContact O-CA 3.34Å
242	G	96.3	Very high	93.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.9	-177.4	0	0	0	0	0	112.5	V88 A226 F227 F244	V88-G242 CarbonylContact O-C 3.57Å; V88-G242 VanDerWaalsContact O-CA 3.31Å; V88-G242 WeakPolarHBondContact O-CA 3.36Å; A226-G242 CarbonylContact C-O 3.35Å; A226-G242 VanDerWaalsContact CA-O 3.29Å; A226-G242 WeakPolarHBondContact CA-O 3.22Å; A226-G242 WeakPolarHBondContact CB-O 3.24Å; F227-G242 PolarHBondContact N-O 3.22Å; F227-G242 PolarHBondContact O-N 3.07Å; G242-F244 WeakPolarHBondContact O-CD2 3.36Å
243	L	98.2	Very high	93.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.2	168.1	-176.7	62.6	0	0	0	109.3	A86 L87 V88 V179 V221 L222 N225 P245	A86-L243 CarbonylContact C-O 3.39Å; A86-L243 WeakPolarHBondContact CA-O 3.31Å; L87-L243 HydrophobicContact CD2-CD2 4.29Å; L87-L243 PolarHBondContact N-O 3.36Å; V88-L243 HydrophobicContact CG1-CB 3.9Å; V88-L243 PolarHBondContact O-N 3.27Å; V179-L243 HydrophobicContact CG2-CD2 3.93Å; V221-L243 HydrophobicContact CG1-CD2 4.3Å; L222-L243 HydrophobicContact CD2-CB 4.15Å; L222-L243 HydrophobicContact CD2-CD2 4.35Å; N225-L243 HydrophobicContact CB-CD1 3.67Å; L243-P245 HydrophobicContact CG-CG 4.25Å
244	F	98.4	Very high	93.9	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	16%	0.162	C	C	.	.			trans	-124	83.3	179	-64.1	-92.3	0	0	0	107.2	E84 A86 F227 G242 L246 T247 A248 F262 A268	E84-F244 HydrophobicContact CG-CD1 4.29Å; E84-F244 WeakPolarHBondContact O-CD1 3Å; E84-F244 WeakPolarHBondContact OE2-CB 3.33Å; A86-F244 HydrophobicContact CB-CD1 4.18Å; A86-F244 HydrophobicContact CB-CE1 3.62Å; A86-F244 HydrophobicContact CB-CE2 4.12Å; A86-F244 HydrophobicContact CB-CZ 3.6Å; A86-F244 VanDerWaalsContact N-CE1 3.33Å; F227-F244 HydrophobicContact CB-CD2 4.31Å; F227-F244 HydrophobicContact CD2-CB 4.27Å; F227-F244 AromaticContact CD2-CD2 3.98Å; F227-F244 HydrophobicContact CD2-CD2 3.98Å; F227-F244 HydrophobicContact CE2-CB 4.41Å; G242-F244 WeakPolarHBondContact O-CD2 3.36Å; F244-L246 PolarHBondContact O-N 3.43Å; F244-T247 PolarHBondContact O-N 3.47Å; F244-A248 VanDerWaalsContact O-CB 3.28Å; F244-A248 WeakPolarHBondContact O-CB 3.3Å; F244-A248 PolarHBondContact O-N 3.37Å; F244-F262 HydrophobicContact CD1-CE1 4.25Å; F244-F262 HydrophobicContact CD2-CD1 4.32Å; F244-F262 AromaticContact CD2-CE1 3.58Å; F244-F262 HydrophobicContact CD2-CE1 3.58Å; F244-F262 HydrophobicContact CD2-CZ 4.39Å; F244-F262 HydrophobicContact CE1-CD1 4.09Å; F244-F262 HydrophobicContact CE1-CE1 4.11Å; F244-F262 AromaticContact CE2-CD1 3.73Å; F244-F262 HydrophobicContact CE2-CD1 3.73Å; F244-F262 AromaticContact CE2-CE1 3.42Å; F244-F262 HydrophobicContact CE2-CE1 3.42Å; F244-F262 VanDerWaalsContact CE2-CE1 3.42Å; F244-F262 HydrophobicContact CE2-CZ 4.41Å; F244-F262 AromaticContact CG-CE1 3.99Å; F244-F262 HydrophobicContact CG-CE1 3.99Å; F244-F262 AromaticContact CZ-CD1 3.58Å; F244-F262 HydrophobicContact CZ-CD1 3.58Å; F244-F262 AromaticContact CZ-CE1 3.69Å; F244-F262 HydrophobicContact CZ-CE1 3.69Å; F244-A268 HydrophobicContact CD1-CB 3.59Å; F244-A268 HydrophobicContact CE1-CB 3.9Å; F244-A268 HydrophobicContact CG-CB 4.17Å
245	P	97.8	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-49.5	-50.4	-171	-31.2	37.8	0	0	0	115.5	I43 E84 L87 L178 M182 L243 A248 I249	I43-P245 HydrophobicContact CD1-CB 3.46Å; I43-P245 VanDerWaalsContact CD1-CB 3.46Å; E84-P245 WeakPolarHBondContact OE1-CD 3.22Å; L87-P245 HydrophobicContact CB-CG 4.08Å; L87-P245 HydrophobicContact CD2-CG 3.91Å; L178-P245 HydrophobicContact CD1-CB 4.03Å; L178-P245 HydrophobicContact CD2-CB 3.9Å; L178-P245 HydrophobicContact CD2-CG 3.77Å; L178-P245 HydrophobicContact CG-CB 4.02Å; L178-P245 HydrophobicContact CG-CG 4.03Å; M182-P245 HydrophobicContact CE-CB 4.42Å; M182-P245 WeakPolarHBondContact CE-O 3.48Å; M182-P245 HydrophobicContact SD-CB 4.07Å; L243-P245 HydrophobicContact CG-CG 4.25Å; P245-A248 PolarHBondContact O-N 3.32Å; P245-I249 WeakPolarHBondContact O-CD1 3.37Å; P245-I249 VanDerWaalsContact O-CG1 3.24Å; P245-I249 WeakPolarHBondContact O-CG1 3.22Å; P245-I249 PolarHBondContact O-N 2.73Å; P245-I249 VanDerWaalsContact O-N 3.13Å
246	L	98.3	Very high	95.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-45.9	179	176.4	57.5	0	0	0	111.2	I43 L47 W57 I59 V69 F82 E84 F244 A248 I249	I43-L246 HydrophobicContact CD1-CB 4.12Å; I43-L246 HydrophobicContact CG2-CB 3.94Å; I43-L246 HydrophobicContact CG2-CD1 4.2Å; I43-L246 HydrophobicContact CG2-CD2 4.14Å; I43-L246 HydrophobicContact CG2-CG 4.31Å; L47-L246 HydrophobicContact CD1-CD2 4.02Å; L47-L246 HydrophobicContact CD2-CD2 4.24Å; W57-L246 HydrophobicContact CD2-CD2 4.42Å; W57-L246 HydrophobicContact CE3-CD1 3.9Å; W57-L246 HydrophobicContact CE3-CD2 4.45Å; W57-L246 HydrophobicContact CH2-CD1 3.93Å; W57-L246 HydrophobicContact CH2-CD2 3.55Å; W57-L246 HydrophobicContact CH2-CG 4.4Å; W57-L246 HydrophobicContact CZ2-CD2 3.46Å; W57-L246 VanDerWaalsContact CZ2-CD2 3.46Å; W57-L246 HydrophobicContact CZ3-CD1 3.58Å; W57-L246 HydrophobicContact CZ3-CD2 4.05Å; W57-L246 HydrophobicContact CZ3-CG 4.49Å; I59-L246 HydrophobicContact CD1-CD1 4.04Å; I59-L246 HydrophobicContact CG1-CD1 4.34Å; V69-L246 HydrophobicContact CG2-CD1 4.09Å; F82-L246 HydrophobicContact CB-CD2 4.19Å; F82-L246 HydrophobicContact CD1-CD2 3.76Å; F82-L246 HydrophobicContact CD1-CG 4.2Å; F82-L246 HydrophobicContact CD2-CD2 3.56Å; F82-L246 HydrophobicContact CD2-CG 4.06Å; F82-L246 HydrophobicContact CE1-CD1 4.36Å; F82-L246 HydrophobicContact CE1-CD2 3.99Å; F82-L246 HydrophobicContact CE1-CG 3.9Å; F82-L246 HydrophobicContact CE2-CB 4.38Å; F82-L246 HydrophobicContact CE2-CD2 3.78Å; F82-L246 HydrophobicContact CE2-CG 3.71Å; F82-L246 HydrophobicContact CG-CD2 3.57Å; F82-L246 HydrophobicContact CG-CG 4.3Å; F82-L246 HydrophobicContact CZ-CD1 4.44Å; F82-L246 HydrophobicContact CZ-CD2 4Å; F82-L246 HydrophobicContact CZ-CG 3.64Å; E84-L246 WeakPolarHBondContact OE1-CB 3.22Å; E84-L246 PolarHBondContact OE1-N 3.44Å; E84-L246 PolarHBondContact OE2-N 3.29Å; F244-L246 PolarHBondContact O-N 3.43Å; L246-A248 PolarHBondContact O-N 3.34Å; L246-I249 PolarHBondContact O-N 2.93Å
247	T	98.3	Very high	95.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-37.4	177.3	-53.8	0	0	0	0	111.4	E84 F227 F244 M250 A268 V270	E84-T247 VanDerWaalsContact OE2-CB 3.31Å; E84-T247 WeakPolarHBondContact OE2-CB 3.43Å; E84-T247 PolarHBondContact OE2-N 3.31Å; E84-T247 PolarHBondContact OE2-OG1 2.86Å; F227-T247 HydrophobicContact CE2-CG2 3.99Å; F227-T247 HydrophobicContact CZ-CG2 3.86Å; F244-T247 PolarHBondContact O-N 3.47Å; T247-M250 HydrophobicContact CG2-CE 3.83Å; T247-M250 WeakPolarHBondContact O-CE 3.45Å; T247-A268 HydrophobicContact CG2-CB 4.44Å; T247-A268 WeakPolarHBondContact OG1-CB 3.39Å; T247-V270 HydrophobicContact CG2-CG2 4.27Å
248	A	96.9	Very high	96	Very high	11 Å²	11	12.5 Å²	12.5	9%	0.091	6%	0.064	C	C	.	.	H	α-helix	trans	-74.9	-21.8	-179.9	0	0	0	0	0	114.3	M182 N225 F227 F244 P245 L246 M250	M182-A248 HydrophobicContact CE-CB 3.59Å; N225-A248 HydrophobicContact CB-CB 3.76Å; F227-A248 HydrophobicContact CE2-CB 3.92Å; F227-A248 HydrophobicContact CZ-CB 4.46Å; F244-A248 VanDerWaalsContact O-CB 3.28Å; F244-A248 WeakPolarHBondContact O-CB 3.3Å; F244-A248 PolarHBondContact O-N 3.37Å; P245-A248 PolarHBondContact O-N 3.32Å; L246-A248 PolarHBondContact O-N 3.34Å; A248-M250 VanDerWaalsContact C-N 3.32Å
249	I	95.5	Very high	96.3	Very high	13 Å²	13	13.2 Å²	13.2	7%	0.067	7%	0.069	C	C	.	.	H	α-helix	trans	-73.3	-24.8	176.8	-69.4	159.1	0	0	0	111.6	L39 I43 I59 V69 M182 P245 L246 N251	L39-I249 HydrophobicContact CD1-CD1 4.25Å; L39-I249 HydrophobicContact CD2-CD1 3.53Å; L39-I249 HydrophobicContact CD2-CG1 4.14Å; L39-I249 HydrophobicContact CG-CD1 3.92Å; I43-I249 HydrophobicContact CD1-CD1 4.08Å; I43-I249 HydrophobicContact CG1-CD1 4.14Å; I59-I249 HydrophobicContact CD1-CD1 3.84Å; V69-I249 HydrophobicContact CG2-CB 4.19Å; V69-I249 HydrophobicContact CG2-CG2 3.84Å; M182-I249 HydrophobicContact CE-CG1 4.22Å; M182-I249 HydrophobicContact SD-CG1 4.34Å; P245-I249 WeakPolarHBondContact O-CD1 3.37Å; P245-I249 VanDerWaalsContact O-CG1 3.24Å; P245-I249 WeakPolarHBondContact O-CG1 3.22Å; P245-I249 PolarHBondContact O-N 2.73Å; P245-I249 VanDerWaalsContact O-N 3.13Å; L246-I249 PolarHBondContact O-N 2.93Å; I249-N251 PolarHBondContact O-N 2.83Å
250	M	97.2	Very high	96.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-58.5	124.8	176.9	-68.1	-170.6	-67.4	0	0	110.8	V69 F82 T247 A248 A258 V270 I282 T284 Y286	V69-M250 HydrophobicContact CB-CG 4.22Å; V69-M250 HydrophobicContact CG2-CG 3.82Å; F82-M250 HydrophobicContact CE1-SD 4.27Å; F82-M250 HydrophobicContact CZ-CE 4.11Å; F82-M250 HydrophobicContact CZ-SD 4.05Å; T247-M250 HydrophobicContact CG2-CE 3.83Å; T247-M250 WeakPolarHBondContact O-CE 3.45Å; A248-M250 VanDerWaalsContact C-N 3.32Å; M250-A258 HydrophobicContact SD-CB 4.44Å; M250-V270 HydrophobicContact CE-CG1 3.84Å; M250-V270 HydrophobicContact CE-CG2 3.91Å; M250-V270 HydrophobicContact SD-CG1 3.81Å; M250-I282 HydrophobicContact CG-CG2 4.48Å; M250-I282 HydrophobicContact SD-CG2 3.8Å; M250-T284 HydrophobicContact CB-CG2 3.82Å; M250-T284 HydrophobicContact CE-CG2 4.38Å; M250-Y286 WeakPolarHBondContact O-CE1 3.48Å; M250-Y286 PolarHBondContact O-OH 3.18Å
251	N	96.1	Very high	96.4	Very high	25 Å²	25	16.1 Å²	16.1	13%	0.134	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-76.6	165.1	-179.5	-75	-49.4	0	0	0	112.9	A65 R67 I249 E281 T283 T284 Y286	A65-N251 HydrophobicContact CB-CB 4.25Å; A65-N251 VanDerWaalsContact CB-CG 3.41Å; A65-N251 WeakPolarHBondContact CB-ND2 3.41Å; A65-N251 WeakPolarHBondContact CB-OD1 3.34Å; R67-N251 PolarHBondContact O-ND2 3.16Å; I249-N251 PolarHBondContact O-N 2.83Å; N251-E281 WeakPolarHBondContact CB-OE1 3.4Å; N251-E281 PolarHBondContact ND2-OE1 3.47Å; N251-T283 WeakPolarHBondContact O-CA 3.4Å; N251-T284 PolarHBondContact O-N 3.32Å; N251-Y286 WeakPolarHBondContact CA-OH 3.3Å
252	H	95.8	Very high	96.4	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.069	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-85.3	133.5	-178.3	177.9	54.6	0	0	0	113.5	C254 T284 T285 Y286 L300 F306	H252-C254 PolarHBondContact NE2-SG 3.49Å; H252-T284 CarbonylContact C-O 3.44Å; H252-T284 VanDerWaalsContact CA-O 3.25Å; H252-T284 WeakPolarHBondContact CA-O 3.25Å; H252-T285 PolarHBondContact CE1-OG1 2.93Å; H252-T285 WeakPolarHBondContact ND1-CA 3.24Å; H252-Y286 HydrophobicContact CB-CD1 4.26Å; H252-Y286 HydrophobicContact CB-CD2 3.59Å; H252-Y286 HydrophobicContact CB-CE1 4.31Å; H252-Y286 HydrophobicContact CB-CE2 3.67Å; H252-Y286 HydrophobicContact CB-CG 3.9Å; H252-Y286 PolarHBondContact ND1-N 3.32Å; H252-L300 WeakPolarHBondContact NE2-CD1 3.31Å; H252-F306 HydrophobicContact CB-CE2 4.31Å; H252-F306 HydrophobicContact CB-CZ 3.63Å; H252-F306 AromaticContact CD2-CZ 3.75Å; H252-F306 AromaticContact CG-CZ 3.96Å
253	E	95.4	Very high	96.3	Very high	60 Å²	60	19 Å²	19	28%	0.28	9%	0.093	S	C	.	.			trans	-129.9	150	151.9	-75.6	-174.2	158.1	0	0	110.8	T255 R274 T283 T284 C310	E253-T255 PolarHBondContact O-N 3.4Å; E253-R274 IonicContact OE2-NH2 3.7Å; E253-T283 HydrophobicContact CG-CG2 3.87Å; E253-T283 PolarHBondContact OE2-OG1 2.92Å; E253-T283 VanDerWaalsContact OE2-OG1 3.1Å; E253-T284 PolarHBondContact N-O 3.17Å; E253-C310 HydrophobicContact CB-CB 4.45Å; E253-C310 HydrophobicContact CG-CB 4.24Å
254	C	95.1	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-73.3	-12.2	176.3	-60.2	0	0	0	0	113.2	H252 R296 C310 R312	H252-C254 PolarHBondContact NE2-SG 3.49Å; C254-R296 PolarHBondContact SG-NE 3.11Å; C254-C310 VanDerWaalsContact CB-SG 3.58Å; C254-R312 HydrophobicContact CB-CB 4.3Å; C254-R312 HydrophobicContact CB-CG 4.44Å; C254-R312 PolarHBondContact O-NH1 3.04Å
255	T	93.7	Very high	95.7	Very high	13 Å²	13	22.9 Å²	22.9	8%	0.08	11%	0.114	C	C	.	.	S	Bend	trans	-132.8	69.1	175.8	51.8	0	0	0	0	107.6	E253 R274 R312 L446	E253-T255 PolarHBondContact O-N 3.4Å; T255-R274 VanDerWaalsContact O-CZ 3.23Å; T255-R274 PolarHBondContact O-NH1 3.24Å; T255-R274 PolarHBondContact O-NH2 3.44Å; T255-R312 HydrophobicContact CG2-CB 3.82Å; T255-R312 HydrophobicContact CG2-CG 4.31Å; T255-L446 WeakPolarHBondContact CB-O 3.15Å; T255-L446 WeakPolarHBondContact CG2-O 3.36Å
256	P	96.5	Very high	95.5	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.052	13%	0.132	C	C	.	.			trans	-68.2	158	-169.2	31.3	-37.8	0	0	0	112	T283 T284 T285	P256-T283 WeakPolarHBondContact CB-O 3.25Å; P256-T284 VanDerWaalsContact CB-C 3.48Å; P256-T285 HydrophobicContact CG-CG2 4.03Å
257	N	97.5	Very high	95.5	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.064	14%	0.138	C	C	.	.	S	Bend	trans	-97.8	-8.5	173.5	65.9	11	0	0	0	114.3	A272 A273 R274 I276 E281 I282 T283	N257-A272 CarbonylContact O-C 3.57Å; N257-A273 PolarHBondContact O-N 3.27Å; N257-R274 HydrophobicContact CB-CG 3.73Å; N257-R274 PolarHBondContact O-N 2.66Å; N257-I276 HydrophobicContact CB-CD1 4.15Å; N257-I276 HydrophobicContact CB-CG1 4.03Å; N257-E281 PolarHBondContact ND2-O 3.32Å; N257-I282 WeakPolarHBondContact OD1-CA 3.43Å; N257-T283 PolarHBondContact N-O 3.42Å; N257-T283 PolarHBondContact N-OG1 2.67Å; N257-T283 PolarHBondContact OD1-N 3.49Å; N257-T283 PolarHBondContact OD1-O 2.98Å; N257-T283 PolarHBondContact OD1-OG1 3.02Å
258	A	98	Very high	95.5	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.6	171.5	0	0	0	0	0	112.1	I81 M250 V270 R271 I282 T283	I81-A258 HydrophobicContact CD1-CB 3.88Å; M250-A258 HydrophobicContact SD-CB 4.44Å; A258-V270 HydrophobicContact CB-CG1 4.06Å; A258-R271 CarbonylContact C-O 3.37Å; A258-R271 WeakPolarHBondContact CA-O 3.18Å; A258-I282 HydrophobicContact CB-CG2 3.75Å; A258-T283 WeakPolarHBondContact CB-O 3.44Å; A258-T283 PolarHBondContact N-O 3.47Å
259	S	96.3	Very high	95.5	Very high	19 Å²	19	28.2 Å²	28.2	13%	0.133	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.6	172.4	-169.8	0	0	0	0	109.3	R271 C451 T452	S259-R271 PolarHBondContact N-O 3.21Å; S259-R271 PolarHBondContact O-N 3.21Å; S259-C451 WeakPolarHBondContact OG-CA 3.24Å; S259-T452 PolarHBondContact OG-N 3.4Å; S259-T452 PolarHBondContact OG-OG1 2.88Å
260	H	94.8	Very high	95.6	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.153	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.5	178.6	69.5	-84.6	0	0	0	111.5	F262 V269 V270 T284 T452	H260-F262 AromaticContact CD2-CE2 3.43Å; H260-F262 VanDerWaalsContact CD2-CE2 3.43Å; H260-F262 WeakPolarHBondContact CD2-CE2 3.43Å; H260-F262 AromaticContact CD2-CZ 3.72Å; H260-F262 AromaticContact NE2-CE2 3.7Å; H260-V269 VanDerWaalsContact CA-O 3.24Å; H260-V269 WeakPolarHBondContact CA-O 3.48Å; H260-V270 HydrophobicContact CB-CG2 3.92Å; H260-T284 PolarHBondContact ND1-OG1 2.86Å; H260-T452 PolarHBondContact O-OG1 3.39Å; H260-T452 VanDerWaalsContact O-OG1 3.07Å
261	Y	93.6	Very high	95.7	Very high	77 Å²	77	31.6 Å²	31.6	30%	0.302	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.6	166.3	67.7	-87.1	0	0	0	109.3	E263 V269	Y261-E263 HydrophobicContact CD2-CG 4.14Å; Y261-E263 HydrophobicContact CE2-CG 3.55Å; Y261-E263 WeakPolarHBondContact CE2-OE1 3.07Å; Y261-E263 PolarHBondContact OH-OE1 2.8Å; Y261-E263 VanDerWaalsContact OH-OE1 3.13Å; Y261-V269 HydrophobicContact CD1-CB 4.12Å; Y261-V269 HydrophobicContact CD1-CG1 4.49Å; Y261-V269 HydrophobicContact CD2-CB 4.46Å; Y261-V269 HydrophobicContact CE1-CB 3.58Å; Y261-V269 HydrophobicContact CE1-CG1 3.61Å; Y261-V269 HydrophobicContact CE1-CG2 4.4Å; Y261-V269 HydrophobicContact CE2-CB 3.96Å; Y261-V269 HydrophobicContact CE2-CG2 3.96Å; Y261-V269 VanDerWaalsContact CZ-CB 3.48Å; Y261-V269 PolarHBondContact N-O 3.25Å; Y261-V269 VanDerWaalsContact N-O 3.08Å; Y261-V269 PolarHBondContact O-N 3.39Å; Y261-V269 WeakPolarHBondContact OH-CG1 3.2Å
262	F	94.2	Very high	95.8	Very high	26 Å²	26	30.4 Å²	30.4	11%	0.114	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.7	-178.8	-63.8	-81.8	0	0	0	109.8	S2 F227 A229 F244 H260 L267 A268	S2-F262 VanDerWaalsContact CB-CE2 3.48Å; F227-F262 HydrophobicContact CB-CE1 4.07Å; F227-F262 HydrophobicContact CB-CE2 3.94Å; F227-F262 HydrophobicContact CB-CZ 3.43Å; F227-F262 VanDerWaalsContact CB-CZ 3.43Å; F227-F262 HydrophobicContact CD1-CE2 4.1Å; F227-F262 AromaticContact CD1-CZ 3.68Å; F227-F262 HydrophobicContact CD1-CZ 3.68Å; F227-F262 HydrophobicContact CD2-CZ 4.09Å; F227-F262 HydrophobicContact CE1-CZ 4.44Å; F227-F262 HydrophobicContact CG-CE1 4.27Å; F227-F262 HydrophobicContact CG-CE2 4.19Å; F227-F262 AromaticContact CG-CZ 3.47Å; F227-F262 HydrophobicContact CG-CZ 3.47Å; F227-F262 VanDerWaalsContact CG-CZ 3.47Å; A229-F262 HydrophobicContact CB-CB 3.52Å; A229-F262 HydrophobicContact CB-CD1 4.37Å; A229-F262 HydrophobicContact CB-CD2 3.79Å; A229-F262 HydrophobicContact CB-CG 3.63Å; F244-F262 HydrophobicContact CD1-CE1 4.25Å; F244-F262 HydrophobicContact CD2-CD1 4.32Å; F244-F262 AromaticContact CD2-CE1 3.58Å; F244-F262 HydrophobicContact CD2-CE1 3.58Å; F244-F262 HydrophobicContact CD2-CZ 4.39Å; F244-F262 HydrophobicContact CE1-CD1 4.09Å; F244-F262 HydrophobicContact CE1-CE1 4.11Å; F244-F262 AromaticContact CE2-CD1 3.73Å; F244-F262 HydrophobicContact CE2-CD1 3.73Å; F244-F262 AromaticContact CE2-CE1 3.42Å; F244-F262 HydrophobicContact CE2-CE1 3.42Å; F244-F262 VanDerWaalsContact CE2-CE1 3.42Å; F244-F262 HydrophobicContact CE2-CZ 4.41Å; F244-F262 AromaticContact CG-CE1 3.99Å; F244-F262 HydrophobicContact CG-CE1 3.99Å; F244-F262 AromaticContact CZ-CD1 3.58Å; F244-F262 HydrophobicContact CZ-CD1 3.58Å; F244-F262 AromaticContact CZ-CE1 3.69Å; F244-F262 HydrophobicContact CZ-CE1 3.69Å; H260-F262 AromaticContact CD2-CE2 3.43Å; H260-F262 VanDerWaalsContact CD2-CE2 3.43Å; H260-F262 WeakPolarHBondContact CD2-CE2 3.43Å; H260-F262 AromaticContact CD2-CZ 3.72Å; H260-F262 AromaticContact NE2-CE2 3.7Å; F262-L267 CarbonylContact C-O 3.57Å; F262-L267 VanDerWaalsContact CA-O 3.29Å; F262-L267 WeakPolarHBondContact CA-O 3.31Å; F262-A268 HydrophobicContact CD1-CB 3.91Å; F262-A268 HydrophobicContact CE1-CB 3.67Å
263	E	94.1	Very high	95.8	Very high	83 Å²	83	29.9 Å²	29.9	39%	0.388	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.8	170	-61.5	179.5	-172.8	0	0	108.6	Y261 G265 R266 L267 V269	Y261-E263 HydrophobicContact CD2-CG 4.14Å; Y261-E263 HydrophobicContact CE2-CG 3.55Å; Y261-E263 WeakPolarHBondContact CE2-OE1 3.07Å; Y261-E263 PolarHBondContact OH-OE1 2.8Å; Y261-E263 VanDerWaalsContact OH-OE1 3.13Å; E263-G265 PolarHBondContact O-N 3.24Å; E263-R266 PolarHBondContact O-N 2.77Å; E263-L267 HydrophobicContact CB-CB 4.21Å; E263-L267 PolarHBondContact N-O 2.97Å; E263-L267 PolarHBondContact O-N 2.99Å; E263-L267 VanDerWaalsContact O-N 3.16Å; E263-L267 WeakPolarHBondContact OE2-CD2 3.31Å; E263-V269 HydrophobicContact CG-CG2 4.21Å
264	N	91.7	Very high	95.9	Very high	81 Å²	81	30.7 Å²	30.7	43%	0.433	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	30.4	178.8	-157.1	20.8	0	0	0	114.9	P230 C231 R232 R266	P230-N264 CarbonylContact O-C 3.6Å; C231-N264 VanDerWaalsContact CA-OD1 3.24Å; C231-N264 WeakPolarHBondContact CA-OD1 3.17Å; C231-N264 PolarHBondContact SG-OD1 2.88Å; R232-N264 PolarHBondContact N-OD1 3.46Å; R232-N264 PolarHBondContact O-OD1 3.23Å; N264-R266 PolarHBondContact O-N 2.92Å; N264-R266 VanDerWaalsContact O-N 3.1Å
265	G	92.3	Very high	96	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	9.2	-178.6	0	0	0	0	0	116.1	P230 E263	P230-G265 PolarHBondContact O-N 2.94Å; P230-G265 VanDerWaalsContact O-N 3.07Å; E263-G265 PolarHBondContact O-N 3.24Å
266	R	94.8	Very high	96.3	Very high	97 Å²	97	35.7 Å²	35.7	37%	0.366	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-19.4	-173.9	-67.9	-174.5	177.9	-155.1	0.9	114.3	R85 A86 T89 C103 H105 L240 E263 N264	R85-R266 CarbonylContact C-O 3.6Å; R85-R266 WeakPolarHBondContact CA-O 3.33Å; A86-R266 PolarHBondContact N-O 3.07Å; T89-R266 HydrophobicContact CG2-CG 4.41Å; C103-R266 PolarHBondContact O-NH2 2.98Å; C103-R266 VanDerWaalsContact O-NH2 3.17Å; H105-R266 PolarHBondContact CD2-NH2 2.77Å; H105-R266 VanDerWaalsContact CD2-NH2 3.29Å; H105-R266 PolarHBondContact NE2-NH2 2.93Å; L240-R266 HydrophobicContact CD1-CG 4.43Å; E263-R266 PolarHBondContact O-N 2.77Å; N264-R266 PolarHBondContact O-N 2.92Å; N264-R266 VanDerWaalsContact O-N 3.1Å
267	L	97.5	Very high	96.4	Very high	26 Å²	26	39.2 Å²	39.2	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.2	177.6	-178.9	73.1	0	0	0	109.5	L50 Q83 E84 R85 F262 E263 V269	L50-L267 HydrophobicContact CD1-CD1 3.56Å; Q83-L267 HydrophobicContact CB-CD1 4.22Å; E84-L267 CarbonylContact O-C 3.58Å; E84-L267 WeakPolarHBondContact O-CA 3.23Å; R85-L267 HydrophobicContact CG-CD1 4.02Å; F262-L267 CarbonylContact C-O 3.57Å; F262-L267 VanDerWaalsContact CA-O 3.29Å; F262-L267 WeakPolarHBondContact CA-O 3.31Å; E263-L267 HydrophobicContact CB-CB 4.21Å; E263-L267 PolarHBondContact N-O 2.97Å; E263-L267 PolarHBondContact O-N 2.99Å; E263-L267 VanDerWaalsContact O-N 3.16Å; E263-L267 WeakPolarHBondContact OE2-CD2 3.31Å; L267-V269 HydrophobicContact CD2-CG2 4.39Å; L267-V269 HydrophobicContact CG-CG2 4.38Å
268	A	97.8	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.4	169.2	0	0	0	0	0	109.3	Q83 E84 F244 T247 F262	Q83-A268 CarbonylContact C-O 3.56Å; Q83-A268 VanDerWaalsContact CA-O 3.27Å; Q83-A268 WeakPolarHBondContact CA-O 3.48Å; E84-A268 HydrophobicContact CB-CB 4.4Å; E84-A268 PolarHBondContact N-O 2.88Å; E84-A268 PolarHBondContact O-N 3.22Å; F244-A268 HydrophobicContact CD1-CB 3.59Å; F244-A268 HydrophobicContact CE1-CB 3.9Å; F244-A268 HydrophobicContact CG-CB 4.17Å; T247-A268 HydrophobicContact CG2-CB 4.44Å; T247-A268 WeakPolarHBondContact OG1-CB 3.39Å; F262-A268 HydrophobicContact CD1-CB 3.91Å; F262-A268 HydrophobicContact CE1-CB 3.67Å
269	V	97.4	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	172.4	-177	0	0	0	0	108.3	L80 Q83 H260 Y261 E263 L267 R271	L80-V269 HydrophobicContact CD1-CG1 3.72Å; Q83-V269 HydrophobicContact CG-CG1 4.28Å; Q83-V269 HydrophobicContact CG-CG2 4.19Å; H260-V269 VanDerWaalsContact CA-O 3.24Å; H260-V269 WeakPolarHBondContact CA-O 3.48Å; Y261-V269 HydrophobicContact CD1-CB 4.12Å; Y261-V269 HydrophobicContact CD1-CG1 4.49Å; Y261-V269 HydrophobicContact CD2-CB 4.46Å; Y261-V269 HydrophobicContact CE1-CB 3.58Å; Y261-V269 HydrophobicContact CE1-CG1 3.61Å; Y261-V269 HydrophobicContact CE1-CG2 4.4Å; Y261-V269 HydrophobicContact CE2-CB 3.96Å; Y261-V269 HydrophobicContact CE2-CG2 3.96Å; Y261-V269 VanDerWaalsContact CZ-CB 3.48Å; Y261-V269 PolarHBondContact N-O 3.25Å; Y261-V269 VanDerWaalsContact N-O 3.08Å; Y261-V269 PolarHBondContact O-N 3.39Å; Y261-V269 WeakPolarHBondContact OH-CG1 3.2Å; E263-V269 HydrophobicContact CG-CG2 4.21Å; L267-V269 HydrophobicContact CD2-CG2 4.39Å; L267-V269 HydrophobicContact CG-CG2 4.38Å; V269-R271 HydrophobicContact CG1-CG 4.45Å
270	V	98.2	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.7	-176.8	-174.7	0	0	0	0	109.6	I81 F82 T247 M250 A258 H260	I81-V270 HydrophobicContact CB-CG1 4.37Å; I81-V270 HydrophobicContact CD1-CG1 4.24Å; I81-V270 PolarHBondContact N-O 2.8Å; F82-V270 HydrophobicContact CD1-CB 4.45Å; F82-V270 HydrophobicContact CD2-CB 4.13Å; F82-V270 HydrophobicContact CD2-CG2 3.94Å; F82-V270 HydrophobicContact CE1-CB 4.15Å; F82-V270 HydrophobicContact CE1-CG1 4.19Å; F82-V270 HydrophobicContact CE1-CG2 4.32Å; F82-V270 HydrophobicContact CE2-CB 3.82Å; F82-V270 HydrophobicContact CE2-CG2 3.28Å; F82-V270 HydrophobicContact CG-CB 4.43Å; F82-V270 HydrophobicContact CZ-CB 3.81Å; F82-V270 HydrophobicContact CZ-CG1 4.07Å; F82-V270 HydrophobicContact CZ-CG2 3.49Å; F82-V270 VanDerWaalsContact CZ-CG2 3.49Å; F82-V270 PolarHBondContact N-O 2.75Å; F82-V270 PolarHBondContact O-N 3.16Å; T247-V270 HydrophobicContact CG2-CG2 4.27Å; M250-V270 HydrophobicContact CE-CG1 3.84Å; M250-V270 HydrophobicContact CE-CG2 3.91Å; M250-V270 HydrophobicContact SD-CG1 3.81Å; A258-V270 HydrophobicContact CB-CG1 4.06Å; H260-V270 HydrophobicContact CB-CG2 3.92Å
271	R	98	Very high	96.6	Very high	85 Å²	85	48.2 Å²	48.2	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.5	-179.9	-68.4	-179	173.4	-84	-3.1	110.7	G78 E79 L80 A258 S259 V269 A273	G78-R271 PolarHBondContact O-NH1 3.45Å; E79-R271 CarbonylContact O-C 3.6Å; E79-R271 WeakPolarHBondContact O-CA 3.5Å; E79-R271 WeakPolarHBondContact O-CB 3.13Å; L80-R271 HydrophobicContact CD1-CG 4.21Å; A258-R271 CarbonylContact C-O 3.37Å; A258-R271 WeakPolarHBondContact CA-O 3.18Å; S259-R271 PolarHBondContact N-O 3.21Å; S259-R271 PolarHBondContact O-N 3.21Å; V269-R271 HydrophobicContact CG1-CG 4.45Å; R271-A273 PolarHBondContact O-N 2.91Å
272	A	98.4	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.2	170.8	0	0	0	0	0	109.3	I75 A76 G78 E79 I81 N257 I276	I75-A272 HydrophobicContact CG2-CB 3.81Å; A76-A272 WeakPolarHBondContact O-CB 3.34Å; G78-A272 WeakPolarHBondContact CA-O 3.42Å; G78-A272 PolarHBondContact N-O 3.17Å; E79-A272 PolarHBondContact O-N 2.93Å; I81-A272 HydrophobicContact CD1-CB 4.33Å; I81-A272 HydrophobicContact CG1-CB 4.45Å; N257-A272 CarbonylContact O-C 3.57Å; A272-I276 HydrophobicContact CB-CD1 4.06Å; A272-I276 HydrophobicContact CB-CG1 4.32Å
273	A	97.3	Very high	96.9	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	22%	0.223	C	C	.	.	S	Bend	trans	-82	-30.2	171.7	0	0	0	0	0	110.9	N257 R271 G449 E450	N257-A273 PolarHBondContact O-N 3.27Å; R271-A273 PolarHBondContact O-N 2.91Å; A273-G449 CarbonylContact O-C 3.55Å; A273-G449 WeakPolarHBondContact O-CA 3.48Å; A273-E450 PolarHBondContact O-N 3.3Å
274	R	96.8	Very high	97	Very high	77 Å²	77	39.6 Å²	39.6	29%	0.291	21%	0.205	S	C	.	.	S	Bend	trans	-142	170.2	175.1	65.2	-171.7	-177.8	-144.8	-7	109	E253 T255 N257 I276	E253-R274 IonicContact OE2-NH2 3.7Å; T255-R274 VanDerWaalsContact O-CZ 3.23Å; T255-R274 PolarHBondContact O-NH1 3.24Å; T255-R274 PolarHBondContact O-NH2 3.44Å; N257-R274 HydrophobicContact CB-CG 3.73Å; N257-R274 PolarHBondContact O-N 2.66Å; R274-I276 WeakPolarHBondContact O-CG1 3.37Å; R274-I276 PolarHBondContact O-N 3.35Å
275	D	98.1	Very high	97.2	Very high	116 Å²	116	37.3 Å²	37.3	62%	0.62	19%	0.194	S	C	*	.			trans	-57.2	134.5	175	-61	-20.7	0	0	0	110.7	I75 A76 A77	I75-D275 CarbonylContact O-C 3.57Å; I75-D275 WeakPolarHBondContact O-CA 3.38Å; A76-D275 WeakPolarHBondContact CA-OD1 3.24Å; A77-D275 PolarHBondContact N-OD1 2.65Å
276	I	98.5	Very high	97.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-118.6	115.3	179.5	-46.9	-177.5	0	0	0	107.4	A71 D74 I75 I81 N257 A272 R274 I282	A71-I276 HydrophobicContact CB-CG2 3.9Å; D74-I276 CarbonylContact C-O 3.58Å; D74-I276 WeakPolarHBondContact CA-O 3.28Å; I75-I276 HydrophobicContact CB-CB 4.17Å; I75-I276 PolarHBondContact N-O 3.09Å; I75-I276 PolarHBondContact O-N 3.02Å; I81-I276 HydrophobicContact CD1-CD1 3.93Å; N257-I276 HydrophobicContact CB-CD1 4.15Å; N257-I276 HydrophobicContact CB-CG1 4.03Å; A272-I276 HydrophobicContact CB-CD1 4.06Å; A272-I276 HydrophobicContact CB-CG1 4.32Å; R274-I276 WeakPolarHBondContact O-CG1 3.37Å; R274-I276 PolarHBondContact O-N 3.35Å; I276-I282 HydrophobicContact CD1-CG1 4.09Å; I276-I282 HydrophobicContact CG2-CG1 4.39Å
277	P	98.4	Very high	97.3	Very high	82 Å²	82	35.4 Å²	35.4	53%	0.532	19%	0.188	S	C	.	.			trans	-69.9	153.4	177.3	30.1	-34.8	0	0	0	110.8	D74 G279 G280	D74-P277 WeakPolarHBondContact OD1-CA 3.44Å; P277-G279 PolarHBondContact O-N 3.22Å; P277-G280 WeakPolarHBondContact O-CA 3.34Å; P277-G280 PolarHBondContact O-N 3.03Å
278	K	98.4	Very high	97.1	Very high	149 Å²	149	37.3 Å²	37.3	65%	0.648	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	132.4	170.6	-180	173.7	179	177	0	110.9	T72 D74 G280	T72-K278 WeakPolarHBondContact O-CD 3.43Å; T72-K278 VanDerWaalsContact O-CE 3.25Å; T72-K278 WeakPolarHBondContact O-CE 3.27Å; T72-K278 WeakPolarHBondContact O-CG 3.37Å; D74-K278 PolarHBondContact OD1-N 2.72Å; K278-G280 PolarHBondContact O-N 3.11Å
279	G	97.7	Very high	97	Very high	50 Å²	50	38 Å²	38	52%	0.515	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-6.7	-176.9	0	0	0	0	0	114.2	A71 P277	A71-G279 WeakPolarHBondContact O-CA 3.46Å; A71-G279 PolarHBondContact O-N 3.34Å; P277-G279 PolarHBondContact O-N 3.22Å
280	G	97	Very high	96.9	Very high	18 Å²	18	38.2 Å²	38.2	19%	0.186	20%	0.2	C	C	.	.			trans	-65.9	139	172.4	0	0	0	0	0	111.5	F70 A71 P277 K278	F70-G280 WeakPolarHBondContact CA-O 3.32Å; A71-G280 PolarHBondContact N-O 3.4Å; P277-G280 WeakPolarHBondContact O-CA 3.34Å; P277-G280 PolarHBondContact O-N 3.03Å; K278-G280 PolarHBondContact O-N 3.11Å
281	E	97.5	Very high	96.7	Very high	39 Å²	39	40.3 Å²	40.3	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.2	173.4	-167.5	165.2	-179.1	0	0	109.7	S62 V69 F70 N251 N257 T283	S62-E281 PolarHBondContact OG-OE2 3.35Å; S62-E281 VanDerWaalsContact OG-OE2 3.12Å; V69-E281 CarbonylContact O-C 3.5Å; V69-E281 WeakPolarHBondContact O-CA 3.48Å; V69-E281 WeakPolarHBondContact O-CG 3.48Å; F70-E281 HydrophobicContact CD1-CB 3.88Å; F70-E281 HydrophobicContact CD1-CG 4.24Å; F70-E281 HydrophobicContact CE1-CB 3.61Å; F70-E281 HydrophobicContact CE1-CG 3.83Å; F70-E281 HydrophobicContact CZ-CB 4.31Å; F70-E281 HydrophobicContact CZ-CG 4.03Å; N251-E281 WeakPolarHBondContact CB-OE1 3.4Å; N251-E281 PolarHBondContact ND2-OE1 3.47Å; N257-E281 PolarHBondContact ND2-O 3.32Å; E281-T283 HydrophobicContact CB-CG2 4.25Å; E281-T283 HydrophobicContact CG-CG2 4.03Å; E281-T283 PolarHBondContact O-N 2.91Å
282	I	98.2	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.4	174.6	-63.7	164.7	0	0	0	107.1	W57 V69 A71 I75 I81 M250 N257 A258 I276	W57-I282 HydrophobicContact CB-CD1 3.74Å; V69-I282 HydrophobicContact CB-CB 4.28Å; V69-I282 HydrophobicContact CG1-CB 4.28Å; V69-I282 HydrophobicContact CG1-CD1 3.98Å; V69-I282 PolarHBondContact O-N 2.94Å; A71-I282 HydrophobicContact CB-CD1 4.32Å; A71-I282 HydrophobicContact CB-CG1 4.43Å; I75-I282 HydrophobicContact CD1-CD1 4.15Å; I81-I282 HydrophobicContact CD1-CD1 4.43Å; I81-I282 HydrophobicContact CD1-CG2 3.71Å; I81-I282 HydrophobicContact CG2-CD1 3.8Å; M250-I282 HydrophobicContact CG-CG2 4.48Å; M250-I282 HydrophobicContact SD-CG2 3.8Å; N257-I282 WeakPolarHBondContact OD1-CA 3.43Å; A258-I282 HydrophobicContact CB-CG2 3.75Å; I276-I282 HydrophobicContact CD1-CG1 4.09Å; I276-I282 HydrophobicContact CG2-CG1 4.39Å
283	T	97.4	Very high	96.2	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	19%	0.194	C	C	.	.			trans	-114.4	146.5	-171.9	63.6	0	0	0	0	111.1	N251 E253 P256 N257 A258 E281	N251-T283 WeakPolarHBondContact O-CA 3.4Å; E253-T283 HydrophobicContact CG-CG2 3.87Å; E253-T283 PolarHBondContact OE2-OG1 2.92Å; E253-T283 VanDerWaalsContact OE2-OG1 3.1Å; P256-T283 WeakPolarHBondContact CB-O 3.25Å; N257-T283 PolarHBondContact N-O 3.42Å; N257-T283 PolarHBondContact N-OG1 2.67Å; N257-T283 PolarHBondContact OD1-N 3.49Å; N257-T283 PolarHBondContact OD1-O 2.98Å; N257-T283 PolarHBondContact OD1-OG1 3.02Å; A258-T283 WeakPolarHBondContact CB-O 3.44Å; A258-T283 PolarHBondContact N-O 3.47Å; E281-T283 HydrophobicContact CB-CG2 4.25Å; E281-T283 HydrophobicContact CG-CG2 4.03Å; E281-T283 PolarHBondContact O-N 2.91Å
284	T	96.7	Very high	95.9	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-120.3	175.2	174.7	-172.3	0	0	0	0	109.8	M250 N251 H252 E253 P256 H260 Y286	M250-T284 HydrophobicContact CB-CG2 3.82Å; M250-T284 HydrophobicContact CE-CG2 4.38Å; N251-T284 PolarHBondContact O-N 3.32Å; H252-T284 CarbonylContact C-O 3.44Å; H252-T284 VanDerWaalsContact CA-O 3.25Å; H252-T284 WeakPolarHBondContact CA-O 3.25Å; E253-T284 PolarHBondContact N-O 3.17Å; P256-T284 VanDerWaalsContact CB-C 3.48Å; H260-T284 PolarHBondContact ND1-OG1 2.86Å; T284-Y286 HydrophobicContact CG2-CD1 3.96Å; T284-Y286 HydrophobicContact CG2-CE1 3.56Å
285	T	95.3	Very high	95.7	Very high	33 Å²	33	35.9 Å²	35.9	20%	0.202	20%	0.197	C	C	.	.			trans	-108.9	128.1	172.5	-177.9	0	0	0	0	111.5	H252 P256 T287	H252-T285 PolarHBondContact CE1-OG1 2.93Å; H252-T285 WeakPolarHBondContact ND1-CA 3.24Å; P256-T285 HydrophobicContact CG-CG2 4.03Å; T285-T287 WeakPolarHBondContact CG2-O 3.21Å; T285-T287 PolarHBondContact OG1-N 3.2Å; T285-T287 PolarHBondContact OG1-O 3.3Å; T285-T287 PolarHBondContact OG1-OG1 2.91Å
286	Y	94.6	Very high	95.6	Very high	49 Å²	49	30.3 Å²	30.3	19%	0.192	17%	0.168	C	C	.	.	S	Bend	trans	-87.4	-13.6	173.2	-59.1	-12.2	0	0	0	112.2	M250 N251 H252 T284 F299 L300 K304 F306	M250-Y286 WeakPolarHBondContact O-CE1 3.48Å; M250-Y286 PolarHBondContact O-OH 3.18Å; N251-Y286 WeakPolarHBondContact CA-OH 3.3Å; H252-Y286 HydrophobicContact CB-CD1 4.26Å; H252-Y286 HydrophobicContact CB-CD2 3.59Å; H252-Y286 HydrophobicContact CB-CE1 4.31Å; H252-Y286 HydrophobicContact CB-CE2 3.67Å; H252-Y286 HydrophobicContact CB-CG 3.9Å; H252-Y286 PolarHBondContact ND1-N 3.32Å; T284-Y286 HydrophobicContact CG2-CD1 3.96Å; T284-Y286 HydrophobicContact CG2-CE1 3.56Å; Y286-F299 VanDerWaalsContact O-CE1 3.3Å; Y286-F299 WeakPolarHBondContact O-CE1 3.23Å; Y286-L300 HydrophobicContact CD2-CD2 4.33Å; Y286-K304 HydrophobicContact CD2-CD 4.17Å; Y286-K304 HydrophobicContact CD2-CG 3.95Å; Y286-F306 HydrophobicContact CD2-CE1 4.07Å; Y286-F306 HydrophobicContact CD2-CZ 4.25Å; Y286-F306 HydrophobicContact CE2-CE1 4.15Å; Y286-F306 HydrophobicContact CE2-CZ 4.41Å
287	T	94.8	Very high	95.3	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-105.8	164.4	177.3	70.4	0	0	0	0	110.3	T285 I289 R296 F299 L300	T285-T287 WeakPolarHBondContact CG2-O 3.21Å; T285-T287 PolarHBondContact OG1-N 3.2Å; T285-T287 PolarHBondContact OG1-O 3.3Å; T285-T287 PolarHBondContact OG1-OG1 2.91Å; T287-I289 PolarHBondContact O-N 3.49Å; T287-R296 HydrophobicContact CG2-CB 4.09Å; T287-R296 HydrophobicContact CG2-CG 4.18Å; T287-R296 WeakPolarHBondContact OG1-CD 3.09Å; T287-F299 HydrophobicContact CG2-CD1 3.81Å; T287-F299 HydrophobicContact CG2-CE1 4.41Å; T287-L300 HydrophobicContact CG2-CD1 4.11Å; T287-L300 HydrophobicContact CG2-CD2 3.73Å; T287-L300 HydrophobicContact CG2-CG 3.72Å
288	K	93.1	Very high	95	Very high	66 Å²	66	29.6 Å²	29.6	29%	0.287	16%	0.158	S	C	.	.			trans	-63.1	134.4	163.7	-58.3	-164.3	-156.7	166.7	0	109.3	M1 L290 W291 E407	M1-K288 HydrophobicContact SD-CD 4.4Å; K288-L290 PolarHBondContact O-N 2.71Å; K288-W291 HydrophobicContact CB-CD2 3.94Å; K288-W291 HydrophobicContact CB-CG 3.88Å; K288-W291 HydrophobicContact CD-CZ2 4.11Å; K288-W291 HydrophobicContact CG-CD2 4.23Å; K288-W291 HydrophobicContact CG-CZ2 3.98Å; K288-W291 PolarHBondContact O-N 2.98Å; K288-E407 IonicContact NZ-OE1 3.07Å; K288-E407 PolarHBondContact NZ-OE1 2.97Å
289	I	94.6	Very high	94.8	Very high	14 Å²	14	24.2 Å²	24.2	7%	0.072	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.3	-176.2	-161	165.6	0	0	0	112.3	T287 R312 L443 L446 A448 L453	T287-I289 PolarHBondContact O-N 3.49Å; I289-R312 PolarHBondContact O-NH1 3.4Å; I289-R312 PolarHBondContact O-NH2 2.77Å; I289-L443 HydrophobicContact CD1-CD2 4.47Å; I289-L443 HydrophobicContact CG2-CD2 3.78Å; I289-L446 HydrophobicContact CG1-CD1 4.1Å; I289-L446 WeakPolarHBondContact O-CD1 3.39Å; I289-A448 HydrophobicContact CD1-CB 3.46Å; I289-A448 VanDerWaalsContact CD1-CB 3.46Å; I289-L453 HydrophobicContact CG2-CD2 3.8Å
290	L	95.6	Very high	94.6	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.6	-177.7	-62.6	174.7	0	0	0	114.5	K288 Y403 I406 L410 V439 I442 L443 L446 L453	K288-L290 PolarHBondContact O-N 2.71Å; L290-Y403 WeakPolarHBondContact O-CB 3.41Å; L290-I406 HydrophobicContact CD1-CG2 3.84Å; L290-I406 HydrophobicContact CD2-CG2 4.32Å; L290-L410 HydrophobicContact CD1-CD1 3.19Å; L290-L410 HydrophobicContact CD1-CG 4.42Å; L290-V439 HydrophobicContact CD1-CG1 4.23Å; L290-I442 HydrophobicContact CD2-CG2 3.71Å; L290-L443 HydrophobicContact CD2-CD2 3.96Å; L290-L446 HydrophobicContact CD2-CD1 4.36Å; L290-L453 HydrophobicContact CD1-CD2 3.72Å; L290-L453 HydrophobicContact CG-CD2 4.07Å
291	W	94.7	Very high	94.3	Very high	43 Å²	43	26.4 Å²	26.4	16%	0.163	13%	0.125	C	C	.	.	S	Bend	trans	-65.7	143.4	175.2	-76.1	-2.6	0	0	0	111.5	K288 T295 R296 F299 R312 E407	K288-W291 HydrophobicContact CB-CD2 3.94Å; K288-W291 HydrophobicContact CB-CG 3.88Å; K288-W291 HydrophobicContact CD-CZ2 4.11Å; K288-W291 HydrophobicContact CG-CD2 4.23Å; K288-W291 HydrophobicContact CG-CZ2 3.98Å; K288-W291 PolarHBondContact O-N 2.98Å; W291-T295 HydrophobicContact CB-CG2 4.32Å; W291-T295 HydrophobicContact CD2-CG2 3.77Å; W291-T295 HydrophobicContact CE3-CG2 3.76Å; W291-T295 HydrophobicContact CG-CG2 4.06Å; W291-T295 HydrophobicContact CZ3-CG2 4.31Å; W291-R296 HydrophobicContact CB-CG 3.73Å; W291-R296 PolarHBondContact O-NH1 3.18Å; W291-F299 HydrophobicContact CE3-CB 4.48Å; W291-F299 HydrophobicContact CH2-CD2 4Å; W291-F299 HydrophobicContact CH2-CE2 4.41Å; W291-F299 HydrophobicContact CH2-CG 4.44Å; W291-F299 HydrophobicContact CZ3-CB 3.79Å; W291-F299 HydrophobicContact CZ3-CD1 4.38Å; W291-F299 AromaticContact CZ3-CD2 3.72Å; W291-F299 HydrophobicContact CZ3-CD2 3.72Å; W291-F299 HydrophobicContact CZ3-CE2 4.39Å; W291-F299 AromaticContact CZ3-CG 3.7Å; W291-F299 HydrophobicContact CZ3-CG 3.7Å; W291-R312 PolarHBondContact O-NH2 3.29Å; W291-E407 PolarHBondContact NE1-OE1 3.24Å
292	G	92.8	Very high	93.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.			trans	-70.2	166.1	173.8	0	0	0	0	0	113.7	L294 T295 R296 E318 S324	G292-L294 PolarHBondContact O-N 2.79Å; G292-T295 PolarHBondContact O-N 2.79Å; G292-R296 WeakPolarHBondContact O-CG 3.32Å; G292-R296 PolarHBondContact O-N 3.29Å; G292-R296 VanDerWaalsContact O-N 3.08Å; G292-R296 PolarHBondContact O-NH1 3.09Å; G292-E318 WeakPolarHBondContact CA-OE1 3.3Å; G292-S324 WeakPolarHBondContact CA-OG 3.47Å
293	N	92.2	Very high	93.4	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-54.1	-49.4	-170.3	-176.1	-65.6	0	0	0	112.8	T295 R296 N297 C313 E318 S324	N293-T295 PolarHBondContact O-N 3.02Å; N293-R296 VanDerWaalsContact N-NH1 3.17Å; N293-R296 PolarHBondContact O-N 3.39Å; N293-N297 PolarHBondContact O-N 3.2Å; N293-N297 PolarHBondContact O-ND2 3.3Å; N293-N297 PolarHBondContact OD1-ND2 3.39Å; N293-C313 PolarHBondContact ND2-O 3.42Å; N293-E318 HydrophobicContact CB-CG 4.21Å; N293-E318 PolarHBondContact N-OE1 3.02Å; N293-E318 PolarHBondContact N-OE2 2.72Å; N293-S324 PolarHBondContact N-OG 3.41Å; N293-S324 VanDerWaalsContact N-OG 3.08Å
294	L	91.6	Very high	92.9	Very high	29 Å²	29	32.4 Å²	32.4	15%	0.152	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-46.9	-178	-178.5	62.4	0	0	0	111.9	G292 R296 N297 I298 L345	G292-L294 PolarHBondContact O-N 2.79Å; L294-R296 PolarHBondContact O-N 3.39Å; L294-N297 PolarHBondContact O-N 3.37Å; L294-I298 HydrophobicContact CD1-CD1 3.97Å; L294-I298 HydrophobicContact CD1-CG1 4.27Å; L294-I298 HydrophobicContact CG-CD1 3.83Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 3.03Å; L294-L345 WeakPolarHBondContact CD1-O 3.45Å
295	T	92.7	Very high	92.5	Very high	36 Å²	36	36.1 Å²	36.1	22%	0.221	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.1	-179.7	-52.7	0	0	0	0	111.6	W291 G292 N293 F299	W291-T295 HydrophobicContact CB-CG2 4.32Å; W291-T295 HydrophobicContact CD2-CG2 3.77Å; W291-T295 HydrophobicContact CE3-CG2 3.76Å; W291-T295 HydrophobicContact CG-CG2 4.06Å; W291-T295 HydrophobicContact CZ3-CG2 4.31Å; G292-T295 PolarHBondContact O-N 2.79Å; N293-T295 PolarHBondContact O-N 3.02Å; T295-F299 WeakPolarHBondContact O-CB 3.39Å; T295-F299 PolarHBondContact O-N 3.26Å
296	R	95.1	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-48.7	175.6	-65.6	-166.5	-48.3	-77.5	1.4	111.5	C254 T287 W291 G292 N293 L294 I298 F299 L300 R312 E318	C254-R296 PolarHBondContact SG-NE 3.11Å; T287-R296 HydrophobicContact CG2-CB 4.09Å; T287-R296 HydrophobicContact CG2-CG 4.18Å; T287-R296 WeakPolarHBondContact OG1-CD 3.09Å; W291-R296 HydrophobicContact CB-CG 3.73Å; W291-R296 PolarHBondContact O-NH1 3.18Å; G292-R296 WeakPolarHBondContact O-CG 3.32Å; G292-R296 PolarHBondContact O-N 3.29Å; G292-R296 VanDerWaalsContact O-N 3.08Å; G292-R296 PolarHBondContact O-NH1 3.09Å; N293-R296 VanDerWaalsContact N-NH1 3.17Å; N293-R296 PolarHBondContact O-N 3.39Å; L294-R296 PolarHBondContact O-N 3.39Å; R296-I298 PolarHBondContact O-N 3.37Å; R296-F299 PolarHBondContact O-N 3.25Å; R296-L300 WeakPolarHBondContact O-CB 3.47Å; R296-L300 VanDerWaalsContact O-CG 3.25Å; R296-L300 WeakPolarHBondContact O-CG 3.41Å; R296-L300 PolarHBondContact O-N 3.42Å; R296-R312 VanDerWaalsContact CZ-CZ 3.47Å; R296-E318 IonicContact CZ-OE1 2.99Å; R296-E318 IonicContact NH1-OE1 2.81Å; R296-E318 PolarHBondContact NH1-OE1 2.75Å; R296-E318 IonicContact NH2-OE1 3.3Å; R296-E318 PolarHBondContact NH2-OE1 2.61Å
297	N	93.2	Very high	92.1	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-42.2	-178.8	-82.3	-73.1	0	0	0	112.6	N293 L294 K301	N293-N297 PolarHBondContact O-N 3.2Å; N293-N297 PolarHBondContact O-ND2 3.3Å; N293-N297 PolarHBondContact OD1-ND2 3.39Å; L294-N297 PolarHBondContact O-N 3.37Å; N297-K301 VanDerWaalsContact O-CB 3.27Å; N297-K301 WeakPolarHBondContact O-CB 3.23Å; N297-K301 PolarHBondContact O-N 3.18Å
298	I	93.2	Very high	92	Very high	63 Å²	63	38.3 Å²	38.3	32%	0.323	19%	0.194	S	C	.	.	H	α-helix	trans	-58.8	-50.8	173.7	-69.5	166.8	0	0	0	109.9	L294 R296 L300 K301 M302 L345	L294-I298 HydrophobicContact CD1-CD1 3.97Å; L294-I298 HydrophobicContact CD1-CG1 4.27Å; L294-I298 HydrophobicContact CG-CD1 3.83Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 3.03Å; R296-I298 PolarHBondContact O-N 3.37Å; I298-L300 PolarHBondContact O-N 3.18Å; I298-K301 PolarHBondContact O-N 3.03Å; I298-M302 HydrophobicContact CG2-CG 4.19Å; I298-M302 VanDerWaalsContact O-CB 3.3Å; I298-M302 WeakPolarHBondContact O-CB 3.29Å; I298-M302 WeakPolarHBondContact O-CG 3.33Å; I298-M302 PolarHBondContact O-N 2.93Å; I298-L345 HydrophobicContact CG1-CD2 3.75Å
299	F	93.8	Very high	91.9	Very high	36 Å²	36	39.7 Å²	39.7	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-49.4	-178.1	177.8	-90.2	0	0	0	112.1	Y286 T287 W291 T295 R296 K301 M302 T303	Y286-F299 VanDerWaalsContact O-CE1 3.3Å; Y286-F299 WeakPolarHBondContact O-CE1 3.23Å; T287-F299 HydrophobicContact CG2-CD1 3.81Å; T287-F299 HydrophobicContact CG2-CE1 4.41Å; W291-F299 HydrophobicContact CE3-CB 4.48Å; W291-F299 HydrophobicContact CH2-CD2 4Å; W291-F299 HydrophobicContact CH2-CE2 4.41Å; W291-F299 HydrophobicContact CH2-CG 4.44Å; W291-F299 HydrophobicContact CZ3-CB 3.79Å; W291-F299 HydrophobicContact CZ3-CD1 4.38Å; W291-F299 AromaticContact CZ3-CD2 3.72Å; W291-F299 HydrophobicContact CZ3-CD2 3.72Å; W291-F299 HydrophobicContact CZ3-CE2 4.39Å; W291-F299 AromaticContact CZ3-CG 3.7Å; W291-F299 HydrophobicContact CZ3-CG 3.7Å; T295-F299 WeakPolarHBondContact O-CB 3.39Å; T295-F299 PolarHBondContact O-N 3.26Å; R296-F299 PolarHBondContact O-N 3.25Å; F299-K301 PolarHBondContact O-N 3.21Å; F299-M302 PolarHBondContact O-N 3.46Å; F299-T303 HydrophobicContact CD2-CG2 4.12Å; F299-T303 WeakPolarHBondContact CE1-OG1 3.43Å; F299-T303 HydrophobicContact CE2-CG2 3.99Å; F299-T303 HydrophobicContact CZ-CG2 4.34Å; F299-T303 WeakPolarHBondContact O-CB 3.45Å; F299-T303 PolarHBondContact O-N 3.27Å; F299-T303 PolarHBondContact O-OG1 2.93Å
300	L	92.9	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-43.9	-178.7	-67.6	170.1	0	0	0	111.5	H252 Y286 T287 R296 I298 M302 K304 H305 F306 C308	H252-L300 WeakPolarHBondContact NE2-CD1 3.31Å; Y286-L300 HydrophobicContact CD2-CD2 4.33Å; T287-L300 HydrophobicContact CG2-CD1 4.11Å; T287-L300 HydrophobicContact CG2-CD2 3.73Å; T287-L300 HydrophobicContact CG2-CG 3.72Å; R296-L300 WeakPolarHBondContact O-CB 3.47Å; R296-L300 VanDerWaalsContact O-CG 3.25Å; R296-L300 WeakPolarHBondContact O-CG 3.41Å; R296-L300 PolarHBondContact O-N 3.42Å; I298-L300 PolarHBondContact O-N 3.18Å; L300-M302 PolarHBondContact O-N 3.35Å; L300-K304 HydrophobicContact CD2-CG 4.39Å; L300-K304 CarbonylContact O-C 3.51Å; L300-K304 VanDerWaalsContact O-CA 3.27Å; L300-K304 WeakPolarHBondContact O-CA 3.48Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.87Å; L300-H305 PolarHBondContact O-N 2.83Å; L300-F306 CarbonylContact C-O 3.53Å; L300-F306 HydrophobicContact CB-CZ 4.41Å; L300-F306 HydrophobicContact CD1-CE2 4.42Å; L300-F306 HydrophobicContact CD1-CZ 4.28Å; L300-F306 HydrophobicContact CD2-CE1 3.97Å; L300-F306 HydrophobicContact CD2-CZ 3.68Å; L300-F306 HydrophobicContact CG-CZ 4.34Å; L300-C308 HydrophobicContact CD1-CB 3.69Å
301	K	91.5	Very high	91.8	Very high	115 Å²	115	44.8 Å²	44.8	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-43.5	177.7	-170.9	176.7	-176.8	175.3	0	111.8	N297 I298 F299 H305 F306 L345	N297-K301 VanDerWaalsContact O-CB 3.27Å; N297-K301 WeakPolarHBondContact O-CB 3.23Å; N297-K301 PolarHBondContact O-N 3.18Å; I298-K301 PolarHBondContact O-N 3.03Å; F299-K301 PolarHBondContact O-N 3.21Å; K301-H305 WeakPolarHBondContact O-CA 3.33Å; K301-H305 PolarHBondContact O-N 3.14Å; K301-F306 WeakPolarHBondContact CA-O 3.13Å; K301-F306 PolarHBondContact N-O 3.02Å; K301-L345 HydrophobicContact CD-CD1 4.1Å
302	M	88.8	Confident	91.8	Very high	100 Å²	100	42.7 Å²	42.7	49%	0.493	23%	0.228	S	C	.	.	H	α-helix	trans	-77.4	-31.4	-174.6	-68.1	-61.5	-60.8	0	0	113.8	P10 I298 F299 L300	P10-M302 HydrophobicContact CG-CE 3.84Å; I298-M302 HydrophobicContact CG2-CG 4.19Å; I298-M302 VanDerWaalsContact O-CB 3.3Å; I298-M302 WeakPolarHBondContact O-CB 3.29Å; I298-M302 WeakPolarHBondContact O-CG 3.33Å; I298-M302 PolarHBondContact O-N 2.93Å; F299-M302 PolarHBondContact O-N 3.46Å; L300-M302 PolarHBondContact O-N 3.35Å
303	T	86.5	Confident	91.8	Very high	37 Å²	37	42.7 Å²	42.7	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-110.4	-26	-172.8	65.1	0	0	0	0	113.8	F299	F299-T303 HydrophobicContact CD2-CG2 4.12Å; F299-T303 WeakPolarHBondContact CE1-OG1 3.43Å; F299-T303 HydrophobicContact CE2-CG2 3.99Å; F299-T303 HydrophobicContact CZ-CG2 4.34Å; F299-T303 WeakPolarHBondContact O-CB 3.45Å; F299-T303 PolarHBondContact O-N 3.27Å; F299-T303 PolarHBondContact O-OG1 2.93Å
304	K	88.3	Confident	91.9	Very high	31 Å²	31	46.6 Å²	46.6	14%	0.135	25%	0.246	C	C	.	.	H	α-helix	trans	-118.7	-6.6	-176.8	-55.7	-63.6	-178	-178.8	0	113	T224 Y286 L300 F306	T224-K304 PolarHBondContact O-NZ 2.92Å; Y286-K304 HydrophobicContact CD2-CD 4.17Å; Y286-K304 HydrophobicContact CD2-CG 3.95Å; L300-K304 HydrophobicContact CD2-CG 4.39Å; L300-K304 CarbonylContact O-C 3.51Å; L300-K304 VanDerWaalsContact O-CA 3.27Å; L300-K304 WeakPolarHBondContact O-CA 3.48Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.87Å; K304-F306 VanDerWaalsContact C-N 3.29Å; K304-F306 HydrophobicContact CB-CD1 3.53Å; K304-F306 HydrophobicContact CB-CE1 3.41Å; K304-F306 VanDerWaalsContact CB-CE1 3.41Å; K304-F306 HydrophobicContact CG-CE1 4.17Å; K304-F306 PolarHBondContact O-N 2.64Å
305	H	87.5	Confident	92	Very high	81 Å²	81	47.4 Å²	47.4	38%	0.375	25%	0.25	S	S	.	.	S	Bend	trans	61.5	30.6	174.3	-54.6	-79.9	0	0	0	114.4	N185 E187 L300 K301	N185-H305 PolarHBondContact ND2-CD2 2.84Å; E187-H305 IonicContact OE1-CD2 2.72Å; E187-H305 IonicContact OE1-CE1 2.62Å; E187-H305 IonicContact OE1-NE2 2.9Å; E187-H305 PolarHBondContact OE1-NE2 2.72Å; L300-H305 PolarHBondContact O-N 2.83Å; K301-H305 WeakPolarHBondContact O-CA 3.33Å; K301-H305 PolarHBondContact O-N 3.14Å
306	F	89.9	Confident	92.1	Very high	65 Å²	65	48 Å²	48	29%	0.285	25%	0.252	S	S	.	.			trans	-140.6	163.9	173	78.8	-84.5	0	0	0	111.9	H252 Y286 L300 K301 K304 C308	H252-F306 HydrophobicContact CB-CE2 4.31Å; H252-F306 HydrophobicContact CB-CZ 3.63Å; H252-F306 AromaticContact CD2-CZ 3.75Å; H252-F306 AromaticContact CG-CZ 3.96Å; Y286-F306 HydrophobicContact CD2-CE1 4.07Å; Y286-F306 HydrophobicContact CD2-CZ 4.25Å; Y286-F306 HydrophobicContact CE2-CE1 4.15Å; Y286-F306 HydrophobicContact CE2-CZ 4.41Å; L300-F306 CarbonylContact C-O 3.53Å; L300-F306 HydrophobicContact CB-CZ 4.41Å; L300-F306 HydrophobicContact CD1-CE2 4.42Å; L300-F306 HydrophobicContact CD1-CZ 4.28Å; L300-F306 HydrophobicContact CD2-CE1 3.97Å; L300-F306 HydrophobicContact CD2-CZ 3.68Å; L300-F306 HydrophobicContact CG-CZ 4.34Å; K301-F306 WeakPolarHBondContact CA-O 3.13Å; K301-F306 PolarHBondContact N-O 3.02Å; K304-F306 VanDerWaalsContact C-N 3.29Å; K304-F306 HydrophobicContact CB-CD1 3.53Å; K304-F306 HydrophobicContact CB-CE1 3.41Å; K304-F306 VanDerWaalsContact CB-CE1 3.41Å; K304-F306 HydrophobicContact CG-CE1 4.17Å; K304-F306 PolarHBondContact O-N 2.64Å; F306-C308 HydrophobicContact CE2-CB 4.02Å
307	A	90.9	Very high	92.1	Very high	66 Å²	66	49.5 Å²	49.5	55%	0.545	26%	0.262	S	S	.	.			trans	-108.8	129.9	170.2	0	0	0	0	0	109.2
308	C	93.3	Very high	92.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.034	26%	0.261	C	S	.	.			trans	-77.7	135	-178.7	-179	0	0	0	0	111	L300 F306 C313	L300-C308 HydrophobicContact CD1-CB 3.69Å; F306-C308 HydrophobicContact CE2-CB 4.02Å; C308-C313 WeakPolarHBondContact O-CB 3.26Å; C308-C313 PolarHBondContact O-SG 3.44Å; C308-C313 VanDerWaalsContact O-SG 3.4Å
309	D	91.8	Very high	92.2	Very high	95 Å²	95	48.7 Å²	48.7	51%	0.508	26%	0.258	S	S	.	.			trans	-112.7	17.4	-175.4	-151	35.8	0	0	0	113.9	H314 R343	D309-H314 VanDerWaalsContact CG-NE2 3.32Å; D309-H314 PolarHBondContact O-CD2 3.34Å; D309-H314 PolarHBondContact O-NE2 3.41Å; D309-H314 VanDerWaalsContact O-NE2 3.17Å; D309-H314 IonicContact OD1-CD2 3.52Å; D309-H314 IonicContact OD1-CE1 2.68Å; D309-H314 PolarHBondContact OD1-CE1 3.31Å; D309-H314 IonicContact OD1-NE2 3.43Å; D309-H314 PolarHBondContact OD1-NE2 3.01Å; D309-H314 IonicContact OD2-NE2 3.66Å; D309-R343 IonicContact OD1-CZ 2.82Å; D309-R343 IonicContact OD1-NH1 3.85Å; D309-R343 PolarHBondContact OD1-NH1 3.36Å
310	C	93.2	Very high	92.3	Very high	13 Å²	13	47.9 Å²	47.9	9%	0.088	26%	0.259	C	S	.	.	S	Bend	trans	-69.4	165.6	-179.1	75.6	0	0	0	0	113	E253 C254 R312 C313 H314	E253-C310 HydrophobicContact CB-CB 4.45Å; E253-C310 HydrophobicContact CG-CB 4.24Å; C254-C310 VanDerWaalsContact CB-SG 3.58Å; C310-R312 VanDerWaalsContact C-N 3.28Å; C310-R312 PolarHBondContact O-N 3.35Å; C310-C313 WeakPolarHBondContact O-CA 3.43Å; C310-C313 WeakPolarHBondContact O-CB 3.47Å; C310-C313 PolarHBondContact O-N 3.43Å; C310-H314 PolarHBondContact O-CD2 3.1Å; C310-H314 PolarHBondContact O-N 2.94Å
311	V	93.1	Very high	92.5	Very high	113 Å²	113	48 Å²	48	69%	0.685	26%	0.26	S	S	*	.	H	α-helix	trans	-50	-45.4	-179.5	178.1	0	0	0	0	112.6	C313 H314 D315	V311-C313 VanDerWaalsContact C-N 3.27Å; V311-C313 PolarHBondContact O-N 2.99Å; V311-H314 PolarHBondContact O-N 3.44Å; V311-D315 PolarHBondContact O-N 2.8Å
312	R	95.1	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-29	178.4	-178.3	-177.2	169.5	-169.2	5.9	113.3	C254 T255 I289 W291 R296 C310 H314 E318 L323	C254-R312 HydrophobicContact CB-CB 4.3Å; C254-R312 HydrophobicContact CB-CG 4.44Å; C254-R312 PolarHBondContact O-NH1 3.04Å; T255-R312 HydrophobicContact CG2-CB 3.82Å; T255-R312 HydrophobicContact CG2-CG 4.31Å; I289-R312 PolarHBondContact O-NH1 3.4Å; I289-R312 PolarHBondContact O-NH2 2.77Å; W291-R312 PolarHBondContact O-NH2 3.29Å; R296-R312 VanDerWaalsContact CZ-CZ 3.47Å; C310-R312 VanDerWaalsContact C-N 3.28Å; C310-R312 PolarHBondContact O-N 3.35Å; R312-H314 VanDerWaalsContact C-N 3.31Å; R312-E318 HydrophobicContact CG-CB 4.47Å; R312-E318 IonicContact CZ-OE1 3.42Å; R312-E318 IonicContact NE-OE1 2.85Å; R312-E318 IonicContact NH2-OE1 3.64Å; R312-E318 PolarHBondContact NH2-OE1 2.71Å; R312-L323 VanDerWaalsContact NH2-CD1 3.27Å
313	C	94	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72	-29.1	173.7	-78.6	0	0	0	0	111.8	N293 C308 C310 V311 T342 R343	N293-C313 PolarHBondContact ND2-O 3.42Å; C308-C313 WeakPolarHBondContact O-CB 3.26Å; C308-C313 PolarHBondContact O-SG 3.44Å; C308-C313 VanDerWaalsContact O-SG 3.4Å; C310-C313 WeakPolarHBondContact O-CA 3.43Å; C310-C313 WeakPolarHBondContact O-CB 3.47Å; C310-C313 PolarHBondContact O-N 3.43Å; V311-C313 VanDerWaalsContact C-N 3.27Å; V311-C313 PolarHBondContact O-N 2.99Å; C313-T342 WeakPolarHBondContact O-CB 3.48Å; C313-T342 WeakPolarHBondContact O-CG2 3.23Å; C313-T342 PolarHBondContact O-OG1 3.12Å; C313-R343 HydrophobicContact CB-CG 4.47Å
314	H	92.9	Very high	93.5	Very high	89 Å²	89	39.5 Å²	39.5	41%	0.412	22%	0.217	S	C	.	.	H	α-helix	trans	-82.5	-18.1	175.4	-72.5	-72.6	0	0	0	114	D309 C310 V311 R312 R343	D309-H314 VanDerWaalsContact CG-NE2 3.32Å; D309-H314 PolarHBondContact O-CD2 3.34Å; D309-H314 PolarHBondContact O-NE2 3.41Å; D309-H314 VanDerWaalsContact O-NE2 3.17Å; D309-H314 IonicContact OD1-CD2 3.52Å; D309-H314 IonicContact OD1-CE1 2.68Å; D309-H314 PolarHBondContact OD1-CE1 3.31Å; D309-H314 IonicContact OD1-NE2 3.43Å; D309-H314 PolarHBondContact OD1-NE2 3.01Å; D309-H314 IonicContact OD2-NE2 3.66Å; C310-H314 PolarHBondContact O-CD2 3.1Å; C310-H314 PolarHBondContact O-N 2.94Å; V311-H314 PolarHBondContact O-N 3.44Å; R312-H314 VanDerWaalsContact C-N 3.31Å; H314-R343 PolarHBondContact CE1-NH1 2.97Å
315	D	94.6	Very high	93.9	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.241	21%	0.211	C	C	.	.			trans	-92.6	112.2	177.9	-178	3.4	0	0	0	112.3	V311 T317 E318 N319	V311-D315 PolarHBondContact O-N 2.8Å; D315-T317 VanDerWaalsContact CG-OG1 3.24Å; D315-T317 PolarHBondContact O-N 3.08Å; D315-T317 WeakPolarHBondContact OD1-CA 3.47Å; D315-T317 WeakPolarHBondContact OD1-CB 3.41Å; D315-T317 PolarHBondContact OD1-N 3.34Å; D315-T317 PolarHBondContact OD1-OG1 2.94Å; D315-T317 PolarHBondContact OD2-OG1 2.91Å; D315-E318 PolarHBondContact O-N 2.98Å; D315-N319 WeakPolarHBondContact OD2-CA 3.21Å; D315-N319 PolarHBondContact OD2-N 2.93Å
316	N	94.1	Very high	94.3	Very high	48 Å²	48	34.3 Å²	34.3	26%	0.257	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23	176.9	-61.5	34	0	0	0	113.6	E318 I338 P339 V340 T342	N316-E318 VanDerWaalsContact C-N 3.34Å; N316-I338 HydrophobicContact CB-CD1 4.23Å; N316-P339 PolarHBondContact ND2-O 3.48Å; N316-V340 VanDerWaalsContact ND2-C 3.26Å; N316-V340 PolarHBondContact ND2-O 3.34Å; N316-T342 HydrophobicContact CB-CG2 4.34Å; N316-T342 WeakPolarHBondContact OD1-CG2 3.44Å
317	T	95.4	Very high	94.6	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.202	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.7	176.6	75	0	0	0	0	112.7	D315 G320 T321 Y322 I338	D315-T317 VanDerWaalsContact CG-OG1 3.24Å; D315-T317 PolarHBondContact O-N 3.08Å; D315-T317 WeakPolarHBondContact OD1-CA 3.47Å; D315-T317 WeakPolarHBondContact OD1-CB 3.41Å; D315-T317 PolarHBondContact OD1-N 3.34Å; D315-T317 PolarHBondContact OD1-OG1 2.94Å; D315-T317 PolarHBondContact OD2-OG1 2.91Å; T317-G320 PolarHBondContact O-N 3.5Å; T317-G320 PolarHBondContact OG1-N 3.28Å; T317-T321 PolarHBondContact O-N 2.66Å; T317-Y322 HydrophobicContact CG2-CE1 3.89Å; T317-Y322 PolarHBondContact O-N 3.32Å; T317-I338 HydrophobicContact CG2-CD1 4.33Å
318	E	94.4	Very high	94.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	57.7	-176.4	-55.4	-170.8	74.9	0	0	112.7	G292 N293 R296 R312 D315 N316 G320 T321 L323 S324	G292-E318 WeakPolarHBondContact CA-OE1 3.3Å; N293-E318 HydrophobicContact CB-CG 4.21Å; N293-E318 PolarHBondContact N-OE1 3.02Å; N293-E318 PolarHBondContact N-OE2 2.72Å; R296-E318 IonicContact CZ-OE1 2.99Å; R296-E318 IonicContact NH1-OE1 2.81Å; R296-E318 PolarHBondContact NH1-OE1 2.75Å; R296-E318 IonicContact NH2-OE1 3.3Å; R296-E318 PolarHBondContact NH2-OE1 2.61Å; R312-E318 HydrophobicContact CG-CB 4.47Å; R312-E318 IonicContact CZ-OE1 3.42Å; R312-E318 IonicContact NE-OE1 2.85Å; R312-E318 IonicContact NH2-OE1 3.64Å; R312-E318 PolarHBondContact NH2-OE1 2.71Å; D315-E318 PolarHBondContact O-N 2.98Å; N316-E318 VanDerWaalsContact C-N 3.34Å; E318-G320 VanDerWaalsContact C-N 3.31Å; E318-G320 PolarHBondContact O-N 3.05Å; E318-T321 WeakPolarHBondContact CB-OG1 3.36Å; E318-T321 WeakPolarHBondContact O-CB 2.96Å; E318-T321 VanDerWaalsContact O-CG2 3.28Å; E318-T321 WeakPolarHBondContact O-CG2 3.18Å; E318-T321 PolarHBondContact O-N 3.25Å; E318-T321 PolarHBondContact O-OG1 3.03Å; E318-L323 WeakPolarHBondContact OE2-CB 3.16Å; E318-S324 VanDerWaalsContact OE2-CB 3.32Å; E318-S324 WeakPolarHBondContact OE2-CB 3.28Å; E318-S324 PolarHBondContact OE2-N 2.8Å; E318-S324 PolarHBondContact OE2-OG 3.08Å
319	N	95.1	Very high	94.8	Very high	48 Å²	48	35.1 Å²	35.1	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	37.2	-172.3	-57	21	0	0	0	112.5	D315 T321 K445	D315-N319 WeakPolarHBondContact OD2-CA 3.21Å; D315-N319 PolarHBondContact OD2-N 2.93Å; N319-T321 PolarHBondContact O-N 3.01Å; N319-K445 WeakPolarHBondContact CB-O 3.41Å; N319-K445 PolarHBondContact ND2-O 3.22Å
320	G	95.6	Very high	95	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	19.5	-176.7	0	0	0	0	0	114.6	T317 E318 Y322 K445	T317-G320 PolarHBondContact O-N 3.5Å; T317-G320 PolarHBondContact OG1-N 3.28Å; E318-G320 VanDerWaalsContact C-N 3.31Å; E318-G320 PolarHBondContact O-N 3.05Å; G320-Y322 WeakPolarHBondContact O-CD2 3.4Å; G320-K445 PolarHBondContact O-NZ 3.4Å
321	T	96.7	Very high	95	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-27.8	175.7	62.2	0	0	0	0	112.8	T317 E318 N319 L323 S401 I442 K445 L446	T317-T321 PolarHBondContact O-N 2.66Å; E318-T321 WeakPolarHBondContact CB-OG1 3.36Å; E318-T321 WeakPolarHBondContact O-CB 2.96Å; E318-T321 VanDerWaalsContact O-CG2 3.28Å; E318-T321 WeakPolarHBondContact O-CG2 3.18Å; E318-T321 PolarHBondContact O-N 3.25Å; E318-T321 PolarHBondContact O-OG1 3.03Å; N319-T321 PolarHBondContact O-N 3.01Å; T321-L323 PolarHBondContact O-N 3.49Å; T321-L323 WeakPolarHBondContact OG1-CG 3.49Å; T321-S401 WeakPolarHBondContact O-CB 3.47Å; T321-I442 HydrophobicContact CG2-CG2 4.05Å; T321-K445 HydrophobicContact CG2-CB 3.53Å; T321-K445 HydrophobicContact CG2-CD 4.06Å; T321-K445 HydrophobicContact CG2-CG 4.48Å; T321-L446 HydrophobicContact CG2-CD2 3.74Å; T321-L446 HydrophobicContact CG2-CG 3.9Å
322	Y	96.5	Very high	95.1	Very high	69 Å²	69	41.4 Å²	41.4	27%	0.271	22%	0.222	S	C	.	.			trans	56.4	35	-178.5	-58.3	-81.4	0	0	0	113.1	T317 G320 S324 A325 L336 I338 I352 S401	T317-Y322 HydrophobicContact CG2-CE1 3.89Å; T317-Y322 PolarHBondContact O-N 3.32Å; G320-Y322 WeakPolarHBondContact O-CD2 3.4Å; Y322-S324 VanDerWaalsContact C-N 3.28Å; Y322-S324 PolarHBondContact O-N 2.68Å; Y322-A325 VanDerWaalsContact O-CB 3.28Å; Y322-A325 WeakPolarHBondContact O-CB 3.46Å; Y322-A325 PolarHBondContact O-N 3.18Å; Y322-L336 HydrophobicContact CD1-CD1 4.32Å; Y322-L336 HydrophobicContact CG-CD1 4.27Å; Y322-I338 HydrophobicContact CD1-CG2 3.88Å; Y322-I338 HydrophobicContact CE1-CG2 4.36Å; Y322-I352 HydrophobicContact CE1-CD1 4.25Å; Y322-S401 PolarHBondContact O-OG 2.61Å
323	L	96.3	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35	-177.9	-79.5	165.5	0	0	0	113	R312 E318 T321 S401 N402 Y403 I406 I442 L446	R312-L323 VanDerWaalsContact NH2-CD1 3.27Å; E318-L323 WeakPolarHBondContact OE2-CB 3.16Å; T321-L323 PolarHBondContact O-N 3.49Å; T321-L323 WeakPolarHBondContact OG1-CG 3.49Å; L323-S401 WeakPolarHBondContact CD2-O 3.34Å; L323-N402 WeakPolarHBondContact O-CA 3.49Å; L323-Y403 WeakPolarHBondContact O-CD1 3.16Å; L323-Y403 PolarHBondContact O-N 3.19Å; L323-I406 HydrophobicContact CD2-CG1 4.32Å; L323-I442 HydrophobicContact CD1-CG2 4.24Å; L323-I442 HydrophobicContact CD2-CD1 4.33Å; L323-I442 HydrophobicContact CD2-CG2 4.17Å; L323-I442 HydrophobicContact CG-CG2 4.43Å; L323-L446 HydrophobicContact CD1-CD1 4.14Å; L323-L446 HydrophobicContact CD1-CD2 4.34Å
324	S	94.7	Very high	95.2	Very high	5 Å²	5	54 Å²	54	4%	0.035	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.4	173.4	-80.4	0	0	0	0	115.1	G292 N293 E318 Y322 W349	G292-S324 WeakPolarHBondContact CA-OG 3.47Å; N293-S324 PolarHBondContact N-OG 3.41Å; N293-S324 VanDerWaalsContact N-OG 3.08Å; E318-S324 VanDerWaalsContact OE2-CB 3.32Å; E318-S324 WeakPolarHBondContact OE2-CB 3.28Å; E318-S324 PolarHBondContact OE2-N 2.8Å; E318-S324 PolarHBondContact OE2-OG 3.08Å; Y322-S324 VanDerWaalsContact C-N 3.28Å; Y322-S324 PolarHBondContact O-N 2.68Å; S324-W349 WeakPolarHBondContact O-CH2 3.32Å; S324-W349 WeakPolarHBondContact O-CZ3 3.44Å
325	A	96.1	Very high	95.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.255	C	S	.	.			trans	-69.9	149.1	-169.9	0	0	0	0	0	113.7	Y322 L336 V337 I338 P399 N402	Y322-A325 VanDerWaalsContact O-CB 3.28Å; Y322-A325 WeakPolarHBondContact O-CB 3.46Å; Y322-A325 PolarHBondContact O-N 3.18Å; A325-L336 HydrophobicContact CB-CB 4.38Å; A325-L336 HydrophobicContact CB-CD1 4.43Å; A325-V337 WeakPolarHBondContact CA-O 3.34Å; A325-I338 HydrophobicContact CB-CG2 3.92Å; A325-P399 HydrophobicContact CB-CG 4.44Å; A325-P399 WeakPolarHBondContact O-CD 3.38Å; A325-N402 PolarHBondContact O-ND2 3.05Å
326	L	96.5	Very high	95.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	163.4	174	-67.4	171.6	0	0	0	110	L336 V337 M363 Q367	L326-L336 CarbonylContact O-C 3.54Å; L326-L336 WeakPolarHBondContact O-CA 3.48Å; L326-V337 PolarHBondContact N-O 3.33Å; L326-V337 PolarHBondContact O-N 3.22Å; L326-M363 HydrophobicContact CB-CE 3.7Å; L326-M363 HydrophobicContact CD1-CB 4.33Å; L326-M363 HydrophobicContact CD1-CE 3.53Å; L326-M363 HydrophobicContact CG-CE 4.27Å; L326-Q367 HydrophobicContact CD1-CB 4.19Å
327	F	96.3	Very high	95.7	Very high	52 Å²	52	47.4 Å²	47.4	23%	0.228	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.3	172	-68.1	-53.8	0	0	0	111.7	L336 P395 C398 P399	F327-L336 HydrophobicContact CD1-CD2 4.14Å; F327-L336 HydrophobicContact CE1-CD2 4.29Å; F327-P395 WeakPolarHBondContact CE2-O 3.4Å; F327-C398 WeakPolarHBondContact CE2-O 3.45Å; F327-C398 WeakPolarHBondContact CZ-O 3.31Å; F327-P399 HydrophobicContact CD1-CG 4.04Å; F327-P399 HydrophobicContact CE1-CB 4.25Å; F327-P399 HydrophobicContact CE1-CG 3.94Å; F327-P399 HydrophobicContact CG-CG 4.42Å; F327-P399 HydrophobicContact CZ-CB 4.38Å; F327-P399 HydrophobicContact CZ-CG 4.26Å
328	C	96.8	Very high	95.7	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.061	24%	0.235	C	C	.	.			trans	-60.8	142.1	168.2	-166.4	0	0	0	0	110.6	E330 C333 G335 V337 C351 C354	C328-E330 PolarHBondContact SG-N 3.24Å; C328-C333 HydrophobicContact CB-CB 4.1Å; C328-G335 VanDerWaalsContact CB-O 3.32Å; C328-G335 WeakPolarHBondContact CB-O 3.23Å; C328-G335 PolarHBondContact N-O 2.78Å; C328-V337 VanDerWaalsContact CA-CG2 3.47Å; C328-V337 HydrophobicContact CB-CG2 3.8Å; C328-C351 HydrophobicContact CB-CB 4.36Å; C328-C351 VanDerWaalsContact SG-SG 3.65Å; C328-C354 VanDerWaalsContact SG-SG 3.61Å
329	R	92.3	Very high	95.8	Very high	91 Å²	91	46.7 Å²	46.7	34%	0.343	24%	0.237	S	C	.	.			trans	-110.1	7.5	179.1	-58.5	-60.1	-172.5	-175.3	-3.5	112.4	Y366 F397	R329-Y366 HydrophobicContact CG-CD2 4.35Å; R329-Y366 HydrophobicContact CG-CE1 4.47Å; R329-Y366 HydrophobicContact CG-CE2 3.75Å; R329-F397 PolarHBondContact NH2-O 2.62Å
330	E	95.2	Very high	95.7	Very high	82 Å²	82	46.4 Å²	46.4	38%	0.383	24%	0.236	S	C	.	.	S	Bend	trans	-71.6	140.5	171.1	-161.9	58.4	-126.8	0	0	110	C328 G332 C333 N356	C328-E330 PolarHBondContact SG-N 3.24Å; E330-G332 PolarHBondContact O-N 3.25Å; E330-C333 HydrophobicContact CB-CB 3.95Å; E330-C333 PolarHBondContact O-N 3.49Å; E330-C333 VanDerWaalsContact O-N 3.11Å; E330-N356 VanDerWaalsContact CG-ND2 3.29Å; E330-N356 WeakPolarHBondContact CG-ND2 3.45Å; E330-N356 PolarHBondContact OE2-ND2 3.44Å
331	Q	94.1	Very high	95.4	Very high	190 Å²	190	49.4 Å²	49.4	89%	0.888	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	128.8	-179	-170.6	175.2	4.4	0	0	110.5	C333	Q331-C333 PolarHBondContact O-N 2.91Å
332	G	94.7	Very high	94.7	Very high	81 Å²	81	50.5 Å²	50.5	84%	0.835	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-9.3	-179.7	0	0	0	0	0	115.3	E330	E330-G332 PolarHBondContact O-N 3.25Å
333	C	97	Very high	94	Very high	23 Å²	23	53 Å²	53	16%	0.155	26%	0.261	C	S	.	.			trans	-87.6	128.3	177.5	-168.7	0	0	0	0	111.3	C328 E330 Q331 G335 C351 C354	C328-C333 HydrophobicContact CB-CB 4.1Å; E330-C333 HydrophobicContact CB-CB 3.95Å; E330-C333 PolarHBondContact O-N 3.49Å; E330-C333 VanDerWaalsContact O-N 3.11Å; Q331-C333 PolarHBondContact O-N 2.91Å; C333-G335 PolarHBondContact SG-N 3.04Å; C333-G335 VanDerWaalsContact SG-N 3.38Å; C333-C351 VanDerWaalsContact SG-SG 3.67Å; C333-C354 HydrophobicContact CB-CB 4.43Å; C333-C354 VanDerWaalsContact SG-SG 3.66Å
334	R	94.3	Very high	93.6	Very high	242 Å²	242	55.7 Å²	55.7	91%	0.913	28%	0.277	S	S	*	.			trans	-105.8	14.6	172.1	-59	-175.4	-176.5	-169.3	0.7	112.8
335	G	96.4	Very high	93.3	Very high	5 Å²	5	58.6 Å²	58.6	5%	0.052	29%	0.292	C	S	.	.			trans	-71.4	168.7	-176.6	0	0	0	0	0	113.6	C328 C333 T353	C328-G335 VanDerWaalsContact CB-O 3.32Å; C328-G335 WeakPolarHBondContact CB-O 3.23Å; C328-G335 PolarHBondContact N-O 2.78Å; C333-G335 PolarHBondContact SG-N 3.04Å; C333-G335 VanDerWaalsContact SG-N 3.38Å; G335-T353 WeakPolarHBondContact CA-OG1 3.46Å
336	L	97.3	Very high	93.2	Very high	38 Å²	38	65.5 Å²	65.5	20%	0.199	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146.5	171.4	-60.8	-179.2	0	0	0	110.4	Y322 A325 L326 F327 C351 I352 P399	Y322-L336 HydrophobicContact CD1-CD1 4.32Å; Y322-L336 HydrophobicContact CG-CD1 4.27Å; A325-L336 HydrophobicContact CB-CB 4.38Å; A325-L336 HydrophobicContact CB-CD1 4.43Å; L326-L336 CarbonylContact O-C 3.54Å; L326-L336 WeakPolarHBondContact O-CA 3.48Å; F327-L336 HydrophobicContact CD1-CD2 4.14Å; F327-L336 HydrophobicContact CE1-CD2 4.29Å; L336-C351 CarbonylContact O-C 3.52Å; L336-C351 VanDerWaalsContact O-CA 3.24Å; L336-C351 WeakPolarHBondContact O-CA 3.37Å; L336-C351 PolarHBondContact O-SG 3.22Å; L336-I352 HydrophobicContact CB-CD1 4Å; L336-I352 HydrophobicContact CB-CG1 4.17Å; L336-I352 PolarHBondContact O-N 3.02Å; L336-P399 HydrophobicContact CD2-CB 3.87Å; L336-P399 HydrophobicContact CD2-CG 3.39Å
337	V	97.3	Very high	93.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	175.4	176.7	0	0	0	0	107.9	A325 L326 C328 W349 R350 C351 F358 M363	A325-V337 WeakPolarHBondContact CA-O 3.34Å; L326-V337 PolarHBondContact N-O 3.33Å; L326-V337 PolarHBondContact O-N 3.22Å; C328-V337 VanDerWaalsContact CA-CG2 3.47Å; C328-V337 HydrophobicContact CB-CG2 3.8Å; V337-W349 HydrophobicContact CG1-CB 3.48Å; V337-W349 VanDerWaalsContact CG1-CB 3.48Å; V337-W349 HydrophobicContact CG1-CE3 4.07Å; V337-W349 HydrophobicContact CG1-CG 4.35Å; V337-R350 WeakPolarHBondContact CA-O 3.49Å; V337-C351 HydrophobicContact CG2-CB 3.87Å; V337-F358 HydrophobicContact CG1-CD2 3.99Å; V337-F358 HydrophobicContact CG2-CD2 4.13Å; V337-F358 HydrophobicContact CG2-CE2 3.91Å; V337-M363 HydrophobicContact CB-CE 4.01Å; V337-M363 HydrophobicContact CG1-CE 3.65Å; V337-M363 HydrophobicContact CG1-CG 4.47Å; V337-M363 HydrophobicContact CG1-SD 4.2Å
338	I	96.4	Very high	93	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.082	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.8	-177.4	63.5	174.5	0	0	0	110.9	N316 T317 Y322 A325 W349 R350 I352	N316-I338 HydrophobicContact CB-CD1 4.23Å; T317-I338 HydrophobicContact CG2-CD1 4.33Å; Y322-I338 HydrophobicContact CD1-CG2 3.88Å; Y322-I338 HydrophobicContact CE1-CG2 4.36Å; A325-I338 HydrophobicContact CB-CG2 3.92Å; I338-W349 CarbonylContact O-C 3.49Å; I338-W349 VanDerWaalsContact O-CA 3.24Å; I338-W349 WeakPolarHBondContact O-CA 3.32Å; I338-R350 PolarHBondContact N-O 2.94Å; I338-R350 PolarHBondContact O-N 3.08Å; I338-I352 HydrophobicContact CD1-CG2 3.64Å; I338-I352 HydrophobicContact CG1-CG2 3.85Å
339	P	95.5	Very high	93.1	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.032	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.3	174.7	-22.1	34.4	0	0	0	111.4	N316 P347 W349	N316-P339 PolarHBondContact ND2-O 3.48Å; P339-P347 HydrophobicContact CB-CB 4.05Å; P339-P347 HydrophobicContact CB-CG 4.07Å; P339-W349 VanDerWaalsContact CD-CZ3 3.43Å; P339-W349 HydrophobicContact CG-CD2 4.23Å; P339-W349 HydrophobicContact CG-CE3 4.02Å; P339-W349 HydrophobicContact CG-CH2 3.66Å; P339-W349 HydrophobicContact CG-CZ2 3.86Å; P339-W349 HydrophobicContact CG-CZ3 3.74Å
340	V	93.4	Very high	93.3	Very high	41 Å²	41	67.6 Å²	67.6	25%	0.248	34%	0.335	C	S	.	.	S	Bend	trans	-84.9	-44.8	175.1	178.3	0	0	0	0	110.9	N316 D348 R350	N316-V340 VanDerWaalsContact ND2-C 3.26Å; N316-V340 PolarHBondContact ND2-O 3.34Å; V340-D348 PolarHBondContact N-O 2.94Å; V340-R350 HydrophobicContact CG2-CB 3.47Å; V340-R350 VanDerWaalsContact CG2-CB 3.47Å
341	Q	88.9	Confident	93.4	Very high	83 Å²	83	63.7 Å²	63.7	39%	0.388	32%	0.316	S	S	.	.	S	Bend	trans	-103.3	134.1	174.4	-53.8	85.8	1.7	0	0	108.7	T344 P347	Q341-T344 HydrophobicContact CB-CG2 3.68Å; Q341-P347 VanDerWaalsContact O-CB 3.23Å; Q341-P347 WeakPolarHBondContact O-CB 3.26Å
342	T	82.2	Confident	93.6	Very high	25 Å²	25	58.7 Å²	58.7	15%	0.153	30%	0.295	C	S	.	.	S	Bend	trans	-96	162.7	168.2	56.9	0	0	0	0	110.1	C313 N316 T344	C313-T342 WeakPolarHBondContact O-CB 3.48Å; C313-T342 WeakPolarHBondContact O-CG2 3.23Å; C313-T342 PolarHBondContact O-OG1 3.12Å; N316-T342 HydrophobicContact CB-CG2 4.34Å; N316-T342 WeakPolarHBondContact OD1-CG2 3.44Å; T342-T344 PolarHBondContact O-N 3.2Å; T342-T344 VanDerWaalsContact O-N 3.08Å
343	R	83.3	Confident	93.7	Very high	122 Å²	122	59.4 Å²	59.4	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	64.7	7.6	179.4	-41.7	177.4	-51.3	169	9.1	115.7	D309 C313 H314	D309-R343 IonicContact OD1-CZ 2.82Å; D309-R343 IonicContact OD1-NH1 3.85Å; D309-R343 PolarHBondContact OD1-NH1 3.36Å; C313-R343 HydrophobicContact CB-CG 4.47Å; H314-R343 PolarHBondContact CE1-NH1 2.97Å
344	T	87.7	Confident	93.7	Very high	56 Å²	56	60.4 Å²	60.4	34%	0.344	29%	0.29	S	S	.	.			trans	-99.7	150.1	164.3	178.2	0	0	0	0	110.1	Q341 T342 Q346 P347	Q341-T344 HydrophobicContact CB-CG2 3.68Å; T342-T344 PolarHBondContact O-N 3.2Å; T342-T344 VanDerWaalsContact O-N 3.08Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact OG1-N 2.87Å; T344-P347 HydrophobicContact CG2-CB 3.64Å; T344-P347 HydrophobicContact CG2-CG 4.36Å
345	L	88	Confident	93.9	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.346	28%	0.278	S	S	.	.	S	Bend	trans	-80.7	-15.5	177.1	-58.5	-174.2	0	0	0	112.7	L294 I298 K301 P347 H360	L294-L345 WeakPolarHBondContact CD1-O 3.45Å; I298-L345 HydrophobicContact CG1-CD2 3.75Å; K301-L345 HydrophobicContact CD-CD1 4.1Å; L345-P347 VanDerWaalsContact C-CD 3.49Å; L345-H360 PolarHBondContact O-CE1 3.31Å
346	Q	93	Very high	93.9	Very high	147 Å²	147	58.5 Å²	58.5	69%	0.687	29%	0.292	S	S	*	.	S	Bend	trans	-133.2	62.8	-178	-63.6	-174.9	-19.3	0	0	110.9	T344 H360	T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact OG1-N 2.87Å; Q346-H360 HydrophobicContact CB-CB 4.2Å
347	P	94.3	Very high	93.9	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.019	30%	0.304	C	S	.	.			trans	-71.4	146.1	-179.7	29.6	-35.6	0	0	0	111.5	P339 Q341 T344 L345 W349 H360	P339-P347 HydrophobicContact CB-CB 4.05Å; P339-P347 HydrophobicContact CB-CG 4.07Å; Q341-P347 VanDerWaalsContact O-CB 3.23Å; Q341-P347 WeakPolarHBondContact O-CB 3.26Å; T344-P347 HydrophobicContact CG2-CB 3.64Å; T344-P347 HydrophobicContact CG2-CG 4.36Å; L345-P347 VanDerWaalsContact C-CD 3.49Å; P347-W349 PolarHBondContact O-NE1 3.21Å; P347-H360 WeakPolarHBondContact CD-ND1 3.34Å; P347-H360 WeakPolarHBondContact O-CA 3.37Å; P347-H360 WeakPolarHBondContact O-CB 3.21Å; P347-H360 PolarHBondContact O-ND1 2.89Å
348	D	96	Very high	93.9	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	31%	0.306	S	S	.	.			trans	-70.3	160	158.1	-72.1	-33.8	0	0	0	109.6	V340 V357	V340-D348 PolarHBondContact N-O 2.94Å; D348-V357 HydrophobicContact CB-CG1 3.93Å
349	W	97	Very high	93.9	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.027	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136	-174.6	-66.4	69.4	0	0	0	110.9	S324 V337 I338 P339 P347 V357 F358 H360 M363	S324-W349 WeakPolarHBondContact O-CH2 3.32Å; S324-W349 WeakPolarHBondContact O-CZ3 3.44Å; V337-W349 HydrophobicContact CG1-CB 3.48Å; V337-W349 VanDerWaalsContact CG1-CB 3.48Å; V337-W349 HydrophobicContact CG1-CE3 4.07Å; V337-W349 HydrophobicContact CG1-CG 4.35Å; I338-W349 CarbonylContact O-C 3.49Å; I338-W349 VanDerWaalsContact O-CA 3.24Å; I338-W349 WeakPolarHBondContact O-CA 3.32Å; P339-W349 VanDerWaalsContact CD-CZ3 3.43Å; P339-W349 HydrophobicContact CG-CD2 4.23Å; P339-W349 HydrophobicContact CG-CE3 4.02Å; P339-W349 HydrophobicContact CG-CH2 3.66Å; P339-W349 HydrophobicContact CG-CZ2 3.86Å; P339-W349 HydrophobicContact CG-CZ3 3.74Å; P347-W349 PolarHBondContact O-NE1 3.21Å; W349-V357 CarbonylContact O-C 3.46Å; W349-V357 VanDerWaalsContact O-CA 3.23Å; W349-V357 WeakPolarHBondContact O-CA 3.49Å; W349-F358 PolarHBondContact N-O 3.41Å; W349-F358 PolarHBondContact O-N 3.44Å; W349-H360 AromaticContact NE1-ND1 3.83Å; W349-M363 HydrophobicContact CB-CG 3.7Å; W349-M363 HydrophobicContact CD2-CB 3.94Å; W349-M363 HydrophobicContact CD2-CG 4.05Å; W349-M363 HydrophobicContact CG-CB 3.83Å; W349-M363 HydrophobicContact CG-CG 3.54Å
350	R	97.5	Very high	93.9	Very high	121 Å²	121	64.8 Å²	64.8	46%	0.457	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.9	-179	-179.7	-178.3	-63.7	174.7	0.5	110.4	V337 I338 V340 N356 V357	V337-R350 WeakPolarHBondContact CA-O 3.49Å; I338-R350 PolarHBondContact N-O 2.94Å; I338-R350 PolarHBondContact O-N 3.08Å; V340-R350 HydrophobicContact CG2-CB 3.47Å; V340-R350 VanDerWaalsContact CG2-CB 3.47Å; R350-N356 WeakPolarHBondContact CA-O 3.17Å; R350-V357 HydrophobicContact CB-CG2 4.38Å; R350-V357 HydrophobicContact CG-CG2 4.4Å
351	C	98.1	Very high	94.1	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.4	166.9	-174.2	0	0	0	0	110.7	C328 C333 L336 V337 T353 C354 E355 N356 F358	C328-C351 HydrophobicContact CB-CB 4.36Å; C328-C351 VanDerWaalsContact SG-SG 3.65Å; C333-C351 VanDerWaalsContact SG-SG 3.67Å; L336-C351 CarbonylContact O-C 3.52Å; L336-C351 VanDerWaalsContact O-CA 3.24Å; L336-C351 WeakPolarHBondContact O-CA 3.37Å; L336-C351 PolarHBondContact O-SG 3.22Å; V337-C351 HydrophobicContact CG2-CB 3.87Å; C351-T353 PolarHBondContact O-N 2.92Å; C351-T353 PolarHBondContact SG-N 3.11Å; C351-T353 VanDerWaalsContact SG-N 3.38Å; C351-C354 VanDerWaalsContact CB-SG 3.53Å; C351-C354 VanDerWaalsContact SG-SG 3.68Å; C351-E355 WeakPolarHBondContact O-CA 3.49Å; C351-E355 PolarHBondContact O-N 3.48Å; C351-N356 PolarHBondContact N-O 3.33Å; C351-F358 HydrophobicContact CB-CE2 4.38Å
352	I	96.8	Very high	94.4	Very high	85 Å²	85	66 Å²	66	44%	0.436	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.9	177.2	66	175.1	0	0	0	113.7	Y322 L336 I338	Y322-I352 HydrophobicContact CE1-CD1 4.25Å; L336-I352 HydrophobicContact CB-CD1 4Å; L336-I352 HydrophobicContact CB-CG1 4.17Å; L336-I352 PolarHBondContact O-N 3.02Å; I338-I352 HydrophobicContact CD1-CG2 3.64Å; I338-I352 HydrophobicContact CG1-CG2 3.85Å
353	T	97.6	Very high	95	Very high	95 Å²	95	64.9 Å²	64.9	58%	0.583	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-53.1	-178.9	-53.4	0	0	0	0	112.2	G335 C351	G335-T353 WeakPolarHBondContact CA-OG1 3.46Å; C351-T353 PolarHBondContact O-N 2.92Å; C351-T353 PolarHBondContact SG-N 3.11Å; C351-T353 VanDerWaalsContact SG-N 3.38Å
354	C	97.7	Very high	95.5	Very high	44 Å²	44	60.2 Å²	60.2	30%	0.297	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	0.4	179.5	67.6	0	0	0	0	113.9	C328 C333 C351 N356	C328-C354 VanDerWaalsContact SG-SG 3.61Å; C333-C354 HydrophobicContact CB-CB 4.43Å; C333-C354 VanDerWaalsContact SG-SG 3.66Å; C351-C354 VanDerWaalsContact CB-SG 3.53Å; C351-C354 VanDerWaalsContact SG-SG 3.68Å; C354-N356 PolarHBondContact O-N 2.73Å
355	E	97.4	Very high	95.9	Very high	144 Å²	144	65 Å²	65	67%	0.673	34%	0.34	S	S	*	.			trans	61.3	-1.9	179.3	-54.6	-168.4	156.8	0	0	116.5	C351 V357	C351-E355 WeakPolarHBondContact O-CA 3.49Å; C351-E355 PolarHBondContact O-N 3.48Å; E355-V357 PolarHBondContact O-N 2.77Å
356	N	97.4	Very high	96.1	Very high	63 Å²	63	65.4 Å²	65.4	34%	0.337	34%	0.338	S	S	.	.			trans	-56.8	138	175	-77.8	-4.6	0	0	0	111.5	E330 R350 C351 C354 F358	E330-N356 VanDerWaalsContact CG-ND2 3.29Å; E330-N356 WeakPolarHBondContact CG-ND2 3.45Å; E330-N356 PolarHBondContact OE2-ND2 3.44Å; R350-N356 WeakPolarHBondContact CA-O 3.17Å; C351-N356 PolarHBondContact N-O 3.33Å; C354-N356 PolarHBondContact O-N 2.73Å; N356-F358 HydrophobicContact CB-CE2 3.98Å; N356-F358 HydrophobicContact CB-CZ 3.89Å; N356-F358 WeakPolarHBondContact O-CE2 3.43Å
357	V	97.1	Very high	96.2	Very high	77 Å²	77	59.5 Å²	59.5	47%	0.467	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.1	179.5	-177	0	0	0	0	109.7	D348 W349 R350 E355	D348-V357 HydrophobicContact CB-CG1 3.93Å; W349-V357 CarbonylContact O-C 3.46Å; W349-V357 VanDerWaalsContact O-CA 3.23Å; W349-V357 WeakPolarHBondContact O-CA 3.49Å; R350-V357 HydrophobicContact CB-CG2 4.38Å; R350-V357 HydrophobicContact CG-CG2 4.4Å; E355-V357 PolarHBondContact O-N 2.77Å
358	F	97	Very high	96.2	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.9	-179	-56.6	-82.8	0	0	0	109.6	V337 W349 C351 N356 K362 M363	V337-F358 HydrophobicContact CG1-CD2 3.99Å; V337-F358 HydrophobicContact CG2-CD2 4.13Å; V337-F358 HydrophobicContact CG2-CE2 3.91Å; W349-F358 PolarHBondContact N-O 3.41Å; W349-F358 PolarHBondContact O-N 3.44Å; C351-F358 HydrophobicContact CB-CE2 4.38Å; N356-F358 HydrophobicContact CB-CE2 3.98Å; N356-F358 HydrophobicContact CB-CZ 3.89Å; N356-F358 WeakPolarHBondContact O-CE2 3.43Å; F358-K362 HydrophobicContact CD1-CD 4.18Å; F358-M363 HydrophobicContact CB-CG 3.8Å; F358-M363 HydrophobicContact CB-SD 3.7Å; F358-M363 HydrophobicContact CD2-SD 4.42Å; F358-M363 HydrophobicContact CG-SD 4.03Å
359	P	96.5	Very high	96.1	Very high	71 Å²	71	65.5 Å²	65.5	46%	0.461	34%	0.337	S	S	.	.			trans	-68.8	148.7	179.8	27.7	-34.3	0	0	0	111.3	A361 K362 M363	P359-A361 VanDerWaalsContact C-N 3.27Å; P359-A361 PolarHBondContact O-N 3.45Å; P359-A361 VanDerWaalsContact O-N 3.17Å; P359-K362 HydrophobicContact CG-CB 4.01Å; P359-K362 WeakPolarHBondContact O-CB 3.48Å; P359-K362 PolarHBondContact O-N 2.96Å; P359-M363 PolarHBondContact O-N 3.22Å
360	H	95.6	Very high	95.8	Very high	35 Å²	35	65.1 Å²	65.1	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-45.1	-50.6	178.3	-178	69.1	0	0	0	113.1	L345 Q346 P347 W349 K362 M363 A364	L345-H360 PolarHBondContact O-CE1 3.31Å; Q346-H360 HydrophobicContact CB-CB 4.2Å; P347-H360 WeakPolarHBondContact CD-ND1 3.34Å; P347-H360 WeakPolarHBondContact O-CA 3.37Å; P347-H360 WeakPolarHBondContact O-CB 3.21Å; P347-H360 PolarHBondContact O-ND1 2.89Å; W349-H360 AromaticContact NE1-ND1 3.83Å; H360-K362 PolarHBondContact O-N 3.03Å; H360-K362 VanDerWaalsContact O-N 3.14Å; H360-M363 PolarHBondContact O-N 3.08Å; H360-M363 VanDerWaalsContact O-N 3.08Å; H360-A364 WeakPolarHBondContact O-CB 3.37Å; H360-A364 PolarHBondContact O-N 3.37Å
361	A	96.2	Very high	95.6	Very high	66 Å²	66	61.3 Å²	61.3	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-28.4	-175.7	0	0	0	0	0	113.5	P359 K365	P359-A361 VanDerWaalsContact C-N 3.27Å; P359-A361 PolarHBondContact O-N 3.45Å; P359-A361 VanDerWaalsContact O-N 3.17Å; A361-K365 WeakPolarHBondContact O-CG 3.43Å
362	K	95.5	Very high	95.3	Very high	83 Å²	83	65.5 Å²	65.5	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-75.6	-47.1	175.1	-177.6	176.6	179.1	-179.3	0	110.6	F358 P359 H360 K365 Y366	F358-K362 HydrophobicContact CD1-CD 4.18Å; P359-K362 HydrophobicContact CG-CB 4.01Å; P359-K362 WeakPolarHBondContact O-CB 3.48Å; P359-K362 PolarHBondContact O-N 2.96Å; H360-K362 PolarHBondContact O-N 3.03Å; H360-K362 VanDerWaalsContact O-N 3.14Å; K362-K365 PolarHBondContact O-N 3.24Å; K362-Y366 HydrophobicContact CG-CE2 3.9Å; K362-Y366 VanDerWaalsContact O-CD2 3.31Å; K362-Y366 WeakPolarHBondContact O-CD2 3.39Å
363	M	95	Very high	95.1	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-71.1	-36	-177.5	-61.3	-48.8	-61.6	0	0	112.8	L326 V337 W349 F358 P359 H360 K365 Y366 Q367	L326-M363 HydrophobicContact CB-CE 3.7Å; L326-M363 HydrophobicContact CD1-CB 4.33Å; L326-M363 HydrophobicContact CD1-CE 3.53Å; L326-M363 HydrophobicContact CG-CE 4.27Å; V337-M363 HydrophobicContact CB-CE 4.01Å; V337-M363 HydrophobicContact CG1-CE 3.65Å; V337-M363 HydrophobicContact CG1-CG 4.47Å; V337-M363 HydrophobicContact CG1-SD 4.2Å; W349-M363 HydrophobicContact CB-CG 3.7Å; W349-M363 HydrophobicContact CD2-CB 3.94Å; W349-M363 HydrophobicContact CD2-CG 4.05Å; W349-M363 HydrophobicContact CG-CB 3.83Å; W349-M363 HydrophobicContact CG-CG 3.54Å; F358-M363 HydrophobicContact CB-CG 3.8Å; F358-M363 HydrophobicContact CB-SD 3.7Å; F358-M363 HydrophobicContact CD2-SD 4.42Å; F358-M363 HydrophobicContact CG-SD 4.03Å; P359-M363 PolarHBondContact O-N 3.22Å; H360-M363 PolarHBondContact O-N 3.08Å; H360-M363 VanDerWaalsContact O-N 3.08Å; M363-K365 VanDerWaalsContact C-N 3.29Å; M363-K365 PolarHBondContact O-N 3.29Å; M363-Y366 HydrophobicContact CE-CD2 4.33Å; M363-Y366 PolarHBondContact O-N 3.07Å; M363-Y366 VanDerWaalsContact O-N 3.08Å; M363-Y366 HydrophobicContact SD-CD2 4.13Å; M363-Q367 PolarHBondContact O-N 3.42Å
364	A	94	Very high	94.8	Very high	24 Å²	24	58.9 Å²	58.9	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-55.6	-43.1	174.2	0	0	0	0	0	111.8	H360 Y366 Q367 D368	H360-A364 WeakPolarHBondContact O-CB 3.37Å; H360-A364 PolarHBondContact O-N 3.37Å; A364-Y366 VanDerWaalsContact C-N 3.31Å; A364-Y366 PolarHBondContact O-N 2.97Å; A364-Q367 PolarHBondContact O-N 3.31Å; A364-D368 WeakPolarHBondContact O-CB 3.34Å; A364-D368 VanDerWaalsContact O-CG 3.26Å; A364-D368 PolarHBondContact O-N 3.24Å
365	K	95.3	Very high	94.4	Very high	155 Å²	155	59.1 Å²	59.1	67%	0.674	31%	0.308	S	S	*	.	H	α-helix	trans	-59.7	-38.8	176.3	-70.1	175.4	-176.5	-177.6	0	113	A361 K362 M363 F369	A361-K365 WeakPolarHBondContact O-CG 3.43Å; K362-K365 PolarHBondContact O-N 3.24Å; M363-K365 VanDerWaalsContact C-N 3.29Å; M363-K365 PolarHBondContact O-N 3.29Å; K365-F369 WeakPolarHBondContact O-CB 3.36Å; K365-F369 PolarHBondContact O-N 2.9Å
366	Y	94.2	Very high	94	Very high	76 Å²	76	57.6 Å²	57.6	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-39.4	177	-66.6	-58.8	0	0	0	112.2	R329 K362 M363 A364 F369 A370	R329-Y366 HydrophobicContact CG-CD2 4.35Å; R329-Y366 HydrophobicContact CG-CE1 4.47Å; R329-Y366 HydrophobicContact CG-CE2 3.75Å; K362-Y366 HydrophobicContact CG-CE2 3.9Å; K362-Y366 VanDerWaalsContact O-CD2 3.31Å; K362-Y366 WeakPolarHBondContact O-CD2 3.39Å; M363-Y366 HydrophobicContact CE-CD2 4.33Å; M363-Y366 PolarHBondContact O-N 3.07Å; M363-Y366 VanDerWaalsContact O-N 3.08Å; M363-Y366 HydrophobicContact SD-CD2 4.13Å; A364-Y366 VanDerWaalsContact C-N 3.31Å; A364-Y366 PolarHBondContact O-N 2.97Å; Y366-F369 PolarHBondContact O-N 2.95Å; Y366-A370 PolarHBondContact O-N 3.49Å
367	Q	94.1	Very high	93.5	Very high	23 Å²	23	59.3 Å²	59.3	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-45.6	174.1	-175.3	58.5	52.2	0	0	111.1	L326 M363 A364 F369 A370 L371 N402 Y403 V404	L326-Q367 HydrophobicContact CD1-CB 4.19Å; M363-Q367 PolarHBondContact O-N 3.42Å; A364-Q367 PolarHBondContact O-N 3.31Å; Q367-F369 VanDerWaalsContact C-N 3.34Å; Q367-F369 PolarHBondContact O-N 2.85Å; Q367-A370 PolarHBondContact O-N 3.45Å; Q367-L371 VanDerWaalsContact O-CB 3.31Å; Q367-L371 WeakPolarHBondContact O-CB 3.33Å; Q367-L371 PolarHBondContact O-N 3.15Å; Q367-N402 PolarHBondContact OE1-ND2 3.2Å; Q367-Y403 VanDerWaalsContact NE2-CE1 3.27Å; Q367-Y403 PolarHBondContact NE2-OH 3.32Å; Q367-V404 VanDerWaalsContact NE2-CG2 3.29Å
368	D	93.9	Very high	92.9	Very high	83 Å²	83	56.4 Å²	56.4	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-39.4	178.5	-72.1	-19.4	0	0	0	111.6	A364 L371 N372	A364-D368 WeakPolarHBondContact O-CB 3.34Å; A364-D368 VanDerWaalsContact O-CG 3.26Å; A364-D368 PolarHBondContact O-N 3.24Å; D368-L371 PolarHBondContact O-N 3.43Å; D368-N372 VanDerWaalsContact O-CB 3.3Å; D368-N372 WeakPolarHBondContact O-CB 3.24Å; D368-N372 VanDerWaalsContact O-CG 3.25Å; D368-N372 PolarHBondContact O-N 2.86Å; D368-N372 PolarHBondContact O-ND2 3.47Å
369	F	93.6	Very high	91.9	Very high	112 Å²	112	62.7 Å²	62.7	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-52.4	173	176	-96	0	0	0	111	K365 Y366 Q367 L371 N372 T373 F397	K365-F369 WeakPolarHBondContact O-CB 3.36Å; K365-F369 PolarHBondContact O-N 2.9Å; Y366-F369 PolarHBondContact O-N 2.95Å; Q367-F369 VanDerWaalsContact C-N 3.34Å; Q367-F369 PolarHBondContact O-N 2.85Å; F369-L371 PolarHBondContact O-N 2.89Å; F369-N372 PolarHBondContact O-N 3.34Å; F369-T373 VanDerWaalsContact O-CB 3.26Å; F369-T373 WeakPolarHBondContact O-CB 3.17Å; F369-T373 PolarHBondContact O-N 3.04Å; F369-T373 PolarHBondContact O-OG1 3.3Å; F369-F397 HydrophobicContact CE1-CB 4.34Å; F369-F397 HydrophobicContact CE1-CD1 4.46Å; F369-F397 HydrophobicContact CE1-CD2 4.45Å; F369-F397 HydrophobicContact CE1-CG 4.19Å
370	A	92.3	Very high	91.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-47	178.7	0	0	0	0	0	111.7	Y366 Q367 I374 F397 C398	Y366-A370 PolarHBondContact O-N 3.49Å; Q367-A370 PolarHBondContact O-N 3.45Å; A370-I374 VanDerWaalsContact O-CB 3.32Å; A370-I374 WeakPolarHBondContact O-CB 3.36Å; A370-I374 VanDerWaalsContact O-CG1 3.25Å; A370-I374 WeakPolarHBondContact O-CG1 3.2Å; A370-I374 PolarHBondContact O-N 3.24Å; A370-F397 HydrophobicContact CB-CD2 3.98Å; A370-F397 HydrophobicContact CB-CE2 4.12Å; A370-C398 HydrophobicContact CB-CB 4.29Å
371	L	92	Very high	91	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-56.4	-53.2	178.1	-175.7	68.7	0	0	0	111.7	Q367 D368 F369 N375 Y403 V404	Q367-L371 VanDerWaalsContact O-CB 3.31Å; Q367-L371 WeakPolarHBondContact O-CB 3.33Å; Q367-L371 PolarHBondContact O-N 3.15Å; D368-L371 PolarHBondContact O-N 3.43Å; F369-L371 PolarHBondContact O-N 2.89Å; L371-N375 WeakPolarHBondContact CD1-ND2 3.41Å; L371-N375 WeakPolarHBondContact O-CB 3.28Å; L371-N375 VanDerWaalsContact O-CG 3.27Å; L371-N375 PolarHBondContact O-N 2.97Å; L371-N375 PolarHBondContact O-ND2 3.43Å; L371-Y403 HydrophobicContact CD1-CE2 4.46Å; L371-V404 HydrophobicContact CB-CG2 4.25Å; L371-V404 HydrophobicContact CD1-CG1 4.13Å; L371-V404 HydrophobicContact CD1-CG2 3.65Å
372	N	92.2	Very high	90.7	Very high	88 Å²	88	62.1 Å²	62.1	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-67.5	-45	-177.1	-71.2	-45.9	0	0	0	111.8	D368 F369 I374 N376	D368-N372 VanDerWaalsContact O-CB 3.3Å; D368-N372 WeakPolarHBondContact O-CB 3.24Å; D368-N372 VanDerWaalsContact O-CG 3.25Å; D368-N372 PolarHBondContact O-N 2.86Å; D368-N372 PolarHBondContact O-ND2 3.47Å; F369-N372 PolarHBondContact O-N 3.34Å; N372-I374 PolarHBondContact O-N 3.41Å; N372-N376 VanDerWaalsContact O-CB 3.27Å; N372-N376 WeakPolarHBondContact O-CB 3.31Å; N372-N376 PolarHBondContact O-N 3.32Å; N372-N376 PolarHBondContact O-ND2 3.45Å; N372-N376 VanDerWaalsContact O-ND2 3.15Å
373	T	92.2	Very high	90.6	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-40.9	-178.6	-63.6	0	0	0	0	111.9	F369 F389 F397	F369-T373 VanDerWaalsContact O-CB 3.26Å; F369-T373 WeakPolarHBondContact O-CB 3.17Å; F369-T373 PolarHBondContact O-N 3.04Å; F369-T373 PolarHBondContact O-OG1 3.3Å; T373-F389 HydrophobicContact CG2-CE2 4.48Å; T373-F389 HydrophobicContact CG2-CZ 3.97Å; T373-F397 HydrophobicContact CG2-CZ 4.41Å
374	I	91.8	Very high	90.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-73.7	-50.6	178.5	-65.8	168.3	0	0	0	110.8	A370 N372 N376 R377 I378 M386 F389 F397 V404 L405 A408	A370-I374 VanDerWaalsContact O-CB 3.32Å; A370-I374 WeakPolarHBondContact O-CB 3.36Å; A370-I374 VanDerWaalsContact O-CG1 3.25Å; A370-I374 WeakPolarHBondContact O-CG1 3.2Å; A370-I374 PolarHBondContact O-N 3.24Å; N372-I374 PolarHBondContact O-N 3.41Å; I374-N376 VanDerWaalsContact C-N 3.3Å; I374-N376 PolarHBondContact O-N 3.43Å; I374-R377 PolarHBondContact O-N 2.94Å; I374-I378 HydrophobicContact CG2-CD1 3.88Å; I374-I378 HydrophobicContact CG2-CG1 4.21Å; I374-I378 WeakPolarHBondContact O-CG1 3.36Å; I374-I378 PolarHBondContact O-N 3.38Å; I374-M386 HydrophobicContact CG2-CE 4.32Å; I374-F389 HydrophobicContact CB-CE1 4.45Å; I374-F389 HydrophobicContact CG1-CE1 3.95Å; I374-F389 HydrophobicContact CG1-CZ 4.34Å; I374-F397 HydrophobicContact CD1-CE2 3.93Å; I374-F397 HydrophobicContact CD1-CZ 4.44Å; I374-F397 HydrophobicContact CG1-CE2 4.08Å; I374-F397 HydrophobicContact CG1-CZ 4.21Å; I374-V404 HydrophobicContact CB-CG1 3.67Å; I374-V404 HydrophobicContact CD1-CB 4.15Å; I374-V404 HydrophobicContact CD1-CG1 3.54Å; I374-V404 HydrophobicContact CG1-CG1 4.16Å; I374-V404 HydrophobicContact CG2-CG1 3.83Å; I374-L405 HydrophobicContact CD1-CB 4.5Å; I374-A408 HydrophobicContact CG2-CB 3.68Å
375	N	88.7	Confident	90.4	Very high	48 Å²	48	67 Å²	67	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-34.1	-175.9	-76.2	-16.3	0	0	0	113.5	L371 R377 I378 N379	L371-N375 WeakPolarHBondContact CD1-ND2 3.41Å; L371-N375 WeakPolarHBondContact O-CB 3.28Å; L371-N375 VanDerWaalsContact O-CG 3.27Å; L371-N375 PolarHBondContact O-N 2.97Å; L371-N375 PolarHBondContact O-ND2 3.43Å; N375-R377 VanDerWaalsContact C-N 3.26Å; N375-R377 PolarHBondContact O-N 2.68Å; N375-I378 PolarHBondContact O-N 3.07Å; N375-N379 PolarHBondContact O-ND2 3.48Å; N375-N379 VanDerWaalsContact O-ND2 3.13Å
376	N	88.8	Confident	90.4	Very high	112 Å²	112	59.7 Å²	59.7	60%	0.599	31%	0.311	S	S	*	.	H	α-helix	trans	-63.4	-34.9	175.9	-74	-19	0	0	0	111.7	N372 I374 S380	N372-N376 VanDerWaalsContact O-CB 3.27Å; N372-N376 WeakPolarHBondContact O-CB 3.31Å; N372-N376 PolarHBondContact O-N 3.32Å; N372-N376 PolarHBondContact O-ND2 3.45Å; N372-N376 VanDerWaalsContact O-ND2 3.15Å; I374-N376 VanDerWaalsContact C-N 3.3Å; I374-N376 PolarHBondContact O-N 3.43Å; N376-S380 PolarHBondContact O-OG 3.49Å
377	R	88	Confident	90.5	Very high	99 Å²	99	56.4 Å²	56.4	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-77.4	-40.7	177.6	-78.9	-174.3	177.1	-113.9	2.3	113.2	I374 N375 N379 S380 C381 M386 F389	I374-R377 PolarHBondContact O-N 2.94Å; N375-R377 VanDerWaalsContact C-N 3.26Å; N375-R377 PolarHBondContact O-N 2.68Å; R377-N379 PolarHBondContact O-N 3.45Å; R377-S380 PolarHBondContact O-N 2.94Å; R377-S380 PolarHBondContact O-OG 3.23Å; R377-C381 PolarHBondContact O-N 3.37Å; R377-C381 VanDerWaalsContact O-N 3.08Å; R377-C381 PolarHBondContact O-SG 2.9Å; R377-M386 HydrophobicContact CB-SD 4.33Å; R377-F389 HydrophobicContact CB-CD1 4.4Å; R377-F389 HydrophobicContact CB-CE1 4.45Å; R377-F389 VanDerWaalsContact CD-CG 3.41Å
378	I	84.4	Confident	90.5	Very high	17 Å²	17	60.5 Å²	60.5	9%	0.087	32%	0.317	C	S	.	.	H	α-helix	trans	-47.2	-42.8	178.8	-73.2	174.5	0	0	0	111.5	I374 N375 M386 A408 N411	I374-I378 HydrophobicContact CG2-CD1 3.88Å; I374-I378 HydrophobicContact CG2-CG1 4.21Å; I374-I378 WeakPolarHBondContact O-CG1 3.36Å; I374-I378 PolarHBondContact O-N 3.38Å; N375-I378 PolarHBondContact O-N 3.07Å; I378-M386 HydrophobicContact CD1-CE 4.33Å; I378-M386 HydrophobicContact CG1-CE 3.41Å; I378-M386 VanDerWaalsContact CG1-CE 3.41Å; I378-M386 HydrophobicContact CG1-SD 4.16Å; I378-A408 HydrophobicContact CD1-CB 3.97Å; I378-A408 HydrophobicContact CG1-CB 4.3Å; I378-N411 HydrophobicContact CG2-CB 4.12Å
379	N	76.5	Confident	90.5	Very high	141 Å²	141	56.9 Å²	56.9	75%	0.754	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.1	-173.2	-62.4	-48.1	0	0	0	114.8	N375 R377	N375-N379 PolarHBondContact O-ND2 3.48Å; N375-N379 VanDerWaalsContact O-ND2 3.13Å; R377-N379 PolarHBondContact O-N 3.45Å
380	S	84.4	Confident	90.7	Very high	95 Å²	95	51.7 Å²	51.7	66%	0.664	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-14.4	-167.7	59	0	0	0	0	115.5	N376 R377	N376-S380 PolarHBondContact O-OG 3.49Å; R377-S380 PolarHBondContact O-N 2.94Å; R377-S380 PolarHBondContact O-OG 3.23Å
381	C	87.5	Confident	90.8	Very high	19 Å²	19	53.3 Å²	53.3	13%	0.128	28%	0.284	C	S	.	.	S	Bend	trans	-109.6	162.9	-175.6	73.4	0	0	0	0	113.8	R377 D385 R415	R377-C381 PolarHBondContact O-N 3.37Å; R377-C381 VanDerWaalsContact O-N 3.08Å; R377-C381 PolarHBondContact O-SG 2.9Å; C381-D385 HydrophobicContact CB-CB 3.75Å; C381-R415 PolarHBondContact O-NH1 3.32Å; C381-R415 PolarHBondContact O-NH2 2.9Å
382	S	91.3	Very high	91	Very high	46 Å²	46	56.5 Å²	56.5	32%	0.322	30%	0.297	S	S	.	.			trans	-65.5	167	173.3	71.7	0	0	0	0	111.4	Q384 D385 M386	S382-Q384 VanDerWaalsContact C-N 3.34Å; S382-D385 WeakPolarHBondContact CB-OD2 3.33Å; S382-D385 PolarHBondContact N-OD2 3.2Å; S382-D385 WeakPolarHBondContact OG-CB 3.33Å; S382-D385 PolarHBondContact OG-N 3.47Å; S382-D385 PolarHBondContact OG-OD2 2.85Å; S382-M386 WeakPolarHBondContact O-CB 3.43Å; S382-M386 PolarHBondContact O-N 3Å
383	V	91.8	Very high	91	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-44.1	174.8	172.8	0	0	0	0	110.5	M386 I387 V412 R415 M416 Y424	V383-M386 WeakPolarHBondContact O-CB 3.48Å; V383-M386 PolarHBondContact O-N 3Å; V383-M386 VanDerWaalsContact O-N 3.15Å; V383-I387 HydrophobicContact CG1-CD1 3.91Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å; V383-I387 WeakPolarHBondContact O-CG1 3.48Å; V383-I387 PolarHBondContact O-N 2.79Å; V383-V412 HydrophobicContact CG1-CG1 4.28Å; V383-R415 HydrophobicContact CG2-CB 3.8Å; V383-M416 HydrophobicContact CG1-CG 3.58Å; V383-M416 HydrophobicContact CG1-SD 3.83Å; V383-Y424 HydrophobicContact CB-CE1 4.24Å; V383-Y424 HydrophobicContact CG1-CE1 4.03Å; V383-Y424 HydrophobicContact CG2-CE1 4.44Å
384	Q	92.3	Very high	91.1	Very high	116 Å²	116	52.8 Å²	52.8	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-56.5	-50.3	175.5	-90.1	171.7	-17.2	0	0	112.5	S382 M386 I387 H388 E428	S382-Q384 VanDerWaalsContact C-N 3.34Å; Q384-M386 PolarHBondContact O-N 3.49Å; Q384-I387 PolarHBondContact O-N 3.21Å; Q384-H388 PolarHBondContact O-N 3.35Å; Q384-E428 VanDerWaalsContact CD-OE1 3.27Å; Q384-E428 HydrophobicContact CG-CG 4.45Å; Q384-E428 WeakPolarHBondContact CG-OE1 3.25Å; Q384-E428 PolarHBondContact NE2-OE1 3.05Å
385	D	93.5	Very high	91.2	Very high	83 Å²	83	56.1 Å²	56.1	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-36.9	177.9	-67.8	-44.4	0	0	0	111.6	C381 S382 F389	C381-D385 HydrophobicContact CB-CB 3.75Å; S382-D385 WeakPolarHBondContact CB-OD2 3.33Å; S382-D385 PolarHBondContact N-OD2 3.2Å; S382-D385 WeakPolarHBondContact OG-CB 3.33Å; S382-D385 PolarHBondContact OG-N 3.47Å; S382-D385 PolarHBondContact OG-OD2 2.85Å; D385-F389 WeakPolarHBondContact O-CB 3.32Å; D385-F389 PolarHBondContact O-N 3.33Å
386	M	94.6	Very high	91.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-42.8	178.5	-164.2	66.2	-163.7	0	0	111.4	I374 R377 I378 S382 V383 Q384 F389 I390 A408 V412	I374-M386 HydrophobicContact CG2-CE 4.32Å; R377-M386 HydrophobicContact CB-SD 4.33Å; I378-M386 HydrophobicContact CD1-CE 4.33Å; I378-M386 HydrophobicContact CG1-CE 3.41Å; I378-M386 VanDerWaalsContact CG1-CE 3.41Å; I378-M386 HydrophobicContact CG1-SD 4.16Å; S382-M386 WeakPolarHBondContact O-CB 3.43Å; S382-M386 PolarHBondContact O-N 3Å; V383-M386 WeakPolarHBondContact O-CB 3.48Å; V383-M386 PolarHBondContact O-N 3Å; V383-M386 VanDerWaalsContact O-N 3.15Å; Q384-M386 PolarHBondContact O-N 3.49Å; M386-F389 HydrophobicContact CE-CD1 4.35Å; M386-F389 PolarHBondContact O-N 2.88Å; M386-F389 HydrophobicContact SD-CD1 4.42Å; M386-I390 HydrophobicContact CE-CD1 3.96Å; M386-I390 HydrophobicContact CE-CG1 3.99Å; M386-I390 HydrophobicContact CG-CD1 3.99Å; M386-I390 WeakPolarHBondContact O-CB 3.48Å; M386-I390 VanDerWaalsContact O-CG1 3.23Å; M386-I390 WeakPolarHBondContact O-CG1 3.49Å; M386-I390 PolarHBondContact O-N 2.86Å; M386-A408 HydrophobicContact CE-CB 3.4Å; M386-V412 HydrophobicContact CB-CG2 4.01Å; M386-V412 HydrophobicContact CG-CG2 3.61Å
387	I	95.6	Very high	91.3	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-50.9	175.2	-72.2	169.7	0	0	0	110.1	V383 Q384 F389 I390 N391 V412 M416 E428 H431 Y435	V383-I387 HydrophobicContact CG1-CD1 3.91Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å; V383-I387 WeakPolarHBondContact O-CG1 3.48Å; V383-I387 PolarHBondContact O-N 2.79Å; Q384-I387 PolarHBondContact O-N 3.21Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 3.41Å; I387-I390 PolarHBondContact O-N 2.97Å; I387-N391 PolarHBondContact O-N 3.04Å; I387-N391 PolarHBondContact O-ND2 3.05Å; I387-N391 VanDerWaalsContact O-ND2 3.14Å; I387-V412 HydrophobicContact CD1-CG1 4.18Å; I387-V412 HydrophobicContact CG1-CG1 3.89Å; I387-V412 HydrophobicContact CG1-CG2 4.45Å; I387-M416 HydrophobicContact CD1-SD 4.12Å; I387-E428 HydrophobicContact CD1-CB 4.02Å; I387-E428 HydrophobicContact CD1-CG 3.9Å; I387-H431 HydrophobicContact CG2-CB 4.04Å; I387-H431 WeakPolarHBondContact CG2-CD2 3.22Å; I387-Y435 HydrophobicContact CG1-CE2 4.41Å
388	H	95	Very high	91.5	Very high	109 Å²	109	53.4 Å²	53.4	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-45.6	177	178.3	75.5	0	0	0	111.3	Q384 I390 N391 E392	Q384-H388 PolarHBondContact O-N 3.35Å; H388-I390 PolarHBondContact O-N 3.12Å; H388-N391 PolarHBondContact O-N 3.42Å; H388-E392 WeakPolarHBondContact O-CB 3.2Å; H388-E392 PolarHBondContact O-N 2.94Å
389	F	95	Very high	92	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.026	27%	0.273	C	S	.	.	I	π-helix	trans	-63.5	-41.8	179.5	178.3	-107.8	0	0	0	113.3	T373 I374 R377 D385 M386 I387 N391 L393 C394 F397	T373-F389 HydrophobicContact CG2-CE2 4.48Å; T373-F389 HydrophobicContact CG2-CZ 3.97Å; I374-F389 HydrophobicContact CB-CE1 4.45Å; I374-F389 HydrophobicContact CG1-CE1 3.95Å; I374-F389 HydrophobicContact CG1-CZ 4.34Å; R377-F389 HydrophobicContact CB-CD1 4.4Å; R377-F389 HydrophobicContact CB-CE1 4.45Å; R377-F389 VanDerWaalsContact CD-CG 3.41Å; D385-F389 WeakPolarHBondContact O-CB 3.32Å; D385-F389 PolarHBondContact O-N 3.33Å; M386-F389 HydrophobicContact CE-CD1 4.35Å; M386-F389 PolarHBondContact O-N 2.88Å; M386-F389 HydrophobicContact SD-CD1 4.42Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 3.41Å; F389-N391 VanDerWaalsContact C-N 3.33Å; F389-L393 HydrophobicContact CD2-CB 3.65Å; F389-L393 HydrophobicContact CD2-CD1 3.59Å; F389-L393 HydrophobicContact CD2-CG 4.25Å; F389-L393 HydrophobicContact CE2-CB 3.79Å; F389-L393 HydrophobicContact CE2-CD1 4.23Å; F389-L393 WeakPolarHBondContact O-CB 3.4Å; F389-L393 PolarHBondContact O-N 3.1Å; F389-C394 WeakPolarHBondContact CE1-SG 3.33Å; F389-C394 PolarHBondContact O-N 3.07Å; F389-C394 PolarHBondContact O-SG 3.38Å; F389-F397 HydrophobicContact CZ-CE1 4.48Å; F389-F397 HydrophobicContact CZ-CZ 4Å
390	I	96	Very high	92.8	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.263	C	S	.	.	I	π-helix	trans	-62.6	-41	176.4	-73.7	167.9	0	0	0	111	M386 I387 H388 C394 P395 L405 A408 K409 V412 Y435	M386-I390 HydrophobicContact CE-CD1 3.96Å; M386-I390 HydrophobicContact CE-CG1 3.99Å; M386-I390 HydrophobicContact CG-CD1 3.99Å; M386-I390 WeakPolarHBondContact O-CB 3.48Å; M386-I390 VanDerWaalsContact O-CG1 3.23Å; M386-I390 WeakPolarHBondContact O-CG1 3.49Å; M386-I390 PolarHBondContact O-N 2.86Å; I387-I390 PolarHBondContact O-N 2.97Å; H388-I390 PolarHBondContact O-N 3.12Å; I390-C394 WeakPolarHBondContact O-CB 3.33Å; I390-P395 WeakPolarHBondContact O-CD 3.42Å; I390-L405 HydrophobicContact CB-CD1 4.35Å; I390-L405 HydrophobicContact CG1-CD1 4.04Å; I390-L405 HydrophobicContact CG2-CD1 3.96Å; I390-A408 HydrophobicContact CD1-CB 4.05Å; I390-A408 HydrophobicContact CG1-CB 4.27Å; I390-K409 HydrophobicContact CD1-CG 4.27Å; I390-K409 HydrophobicContact CG2-CG 4.14Å; I390-V412 HydrophobicContact CD1-CG2 3.8Å; I390-Y435 HydrophobicContact CD1-CE2 4.33Å; I390-Y435 HydrophobicContact CG2-CE1 3.88Å; I390-Y435 VanDerWaalsContact CG2-OH 3.28Å; I390-Y435 WeakPolarHBondContact CG2-OH 3.31Å
391	N	95.7	Very high	93.3	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	24%	0.238	C	C	.	.	I	π-helix	trans	-84.5	-42.8	-173.4	-70.1	-39.2	0	0	0	113.6	I387 H388 F389 P395 H431 R434 Y435	I387-N391 PolarHBondContact O-N 3.04Å; I387-N391 PolarHBondContact O-ND2 3.05Å; I387-N391 VanDerWaalsContact O-ND2 3.14Å; H388-N391 PolarHBondContact O-N 3.42Å; F389-N391 VanDerWaalsContact C-N 3.33Å; N391-P395 WeakPolarHBondContact O-CD 3.47Å; N391-P395 VanDerWaalsContact O-CG 3.32Å; N391-P395 WeakPolarHBondContact O-CG 3.14Å; N391-H431 PolarHBondContact ND2-CE1 3.05Å; N391-H431 PolarHBondContact ND2-ND1 3.05Å; N391-R434 PolarHBondContact ND2-NH2 2.7Å; N391-R434 PolarHBondContact OD1-NH2 3.47Å; N391-Y435 PolarHBondContact ND2-OH 3.01Å; N391-Y435 PolarHBondContact OD1-OH 2.99Å; N391-Y435 VanDerWaalsContact OD1-OH 3.12Å
392	E	95	Very high	93.7	Very high	107 Å²	107	45.3 Å²	45.3	50%	0.5	23%	0.232	S	C	.	.	I	π-helix	trans	-97.5	-25.9	-168.5	-62.3	-54.3	130.1	0	0	113.6	H388 R396	H388-E392 WeakPolarHBondContact O-CB 3.2Å; H388-E392 PolarHBondContact O-N 2.94Å; E392-R396 PolarHBondContact O-NE 2.95Å; E392-R396 VanDerWaalsContact O-NE 3.09Å
393	L	94.1	Very high	93.9	Very high	51 Å²	51	43.8 Å²	43.8	27%	0.267	22%	0.22	S	C	.	.	I	π-helix	trans	-112.7	-46.6	-170.3	-72.4	157.7	0	0	0	112.5	F389 P395 R396 F397	F389-L393 HydrophobicContact CD2-CB 3.65Å; F389-L393 HydrophobicContact CD2-CD1 3.59Å; F389-L393 HydrophobicContact CD2-CG 4.25Å; F389-L393 HydrophobicContact CE2-CB 3.79Å; F389-L393 HydrophobicContact CE2-CD1 4.23Å; F389-L393 WeakPolarHBondContact O-CB 3.4Å; F389-L393 PolarHBondContact O-N 3.1Å; L393-P395 VanDerWaalsContact C-CD 3.45Å; L393-R396 WeakPolarHBondContact O-CB 3.37Å; L393-R396 WeakPolarHBondContact O-CG 3.48Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.14Å; L393-F397 WeakPolarHBondContact O-CD1 3.11Å; L393-F397 VanDerWaalsContact O-CE1 3.3Å; L393-F397 WeakPolarHBondContact O-CE1 3.48Å
394	C	94.4	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.5	-39.1	-178.1	-65.8	0	0	0	0	115.1	F389 I390 R396 F397 C398 L405	F389-C394 WeakPolarHBondContact CE1-SG 3.33Å; F389-C394 PolarHBondContact O-N 3.07Å; F389-C394 PolarHBondContact O-SG 3.38Å; I390-C394 WeakPolarHBondContact O-CB 3.33Å; C394-R396 PolarHBondContact O-N 3.38Å; C394-F397 HydrophobicContact CB-CZ 4.17Å; C394-F397 PolarHBondContact O-N 3.34Å; C394-F397 VanDerWaalsContact O-N 3.08Å; C394-C398 PolarHBondContact O-N 3.02Å; C394-C398 VanDerWaalsContact O-N 3.16Å; C394-L405 HydrophobicContact CB-CD1 3.64Å; C394-L405 HydrophobicContact CB-CD2 3.97Å; C394-L405 HydrophobicContact CB-CG 4.47Å
395	P	93	Very high	94.1	Very high	70 Å²	70	37.8 Å²	37.8	46%	0.455	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63	-12.1	179.4	-25.6	37.4	0	0	0	114.2	F327 I390 N391 L393 F397	F327-P395 WeakPolarHBondContact CE2-O 3.4Å; I390-P395 WeakPolarHBondContact O-CD 3.42Å; N391-P395 WeakPolarHBondContact O-CD 3.47Å; N391-P395 VanDerWaalsContact O-CG 3.32Å; N391-P395 WeakPolarHBondContact O-CG 3.14Å; L393-P395 VanDerWaalsContact C-CD 3.45Å; P395-F397 VanDerWaalsContact C-N 3.33Å
396	R	89.9	Confident	94.2	Very high	175 Å²	175	33.9 Å²	33.9	66%	0.66	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-76.4	-19.8	176.7	-56.6	-180	-170.7	-163.5	-2.1	113	E392 L393 C394	E392-R396 PolarHBondContact O-NE 2.95Å; E392-R396 VanDerWaalsContact O-NE 3.09Å; L393-R396 WeakPolarHBondContact O-CB 3.37Å; L393-R396 WeakPolarHBondContact O-CG 3.48Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.14Å; C394-R396 PolarHBondContact O-N 3.38Å
397	F	89.3	Confident	94.2	Very high	27 Å²	27	35.6 Å²	35.6	12%	0.118	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-19.5	-172.2	57.4	-99.1	0	0	0	116.1	R329 F369 A370 T373 I374 F389 L393 C394 P395	R329-F397 PolarHBondContact NH2-O 2.62Å; F369-F397 HydrophobicContact CE1-CB 4.34Å; F369-F397 HydrophobicContact CE1-CD1 4.46Å; F369-F397 HydrophobicContact CE1-CD2 4.45Å; F369-F397 HydrophobicContact CE1-CG 4.19Å; A370-F397 HydrophobicContact CB-CD2 3.98Å; A370-F397 HydrophobicContact CB-CE2 4.12Å; T373-F397 HydrophobicContact CG2-CZ 4.41Å; I374-F397 HydrophobicContact CD1-CE2 3.93Å; I374-F397 HydrophobicContact CD1-CZ 4.44Å; I374-F397 HydrophobicContact CG1-CE2 4.08Å; I374-F397 HydrophobicContact CG1-CZ 4.21Å; F389-F397 HydrophobicContact CZ-CE1 4.48Å; F389-F397 HydrophobicContact CZ-CZ 4Å; L393-F397 WeakPolarHBondContact O-CD1 3.11Å; L393-F397 VanDerWaalsContact O-CE1 3.3Å; L393-F397 WeakPolarHBondContact O-CE1 3.48Å; C394-F397 HydrophobicContact CB-CZ 4.17Å; C394-F397 PolarHBondContact O-N 3.34Å; C394-F397 VanDerWaalsContact O-N 3.08Å; P395-F397 VanDerWaalsContact C-N 3.33Å
398	C	93.1	Very high	94.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-142.1	150	172.5	66	0	0	0	0	112.9	F327 A370 C394 N402	F327-C398 WeakPolarHBondContact CE2-O 3.45Å; F327-C398 WeakPolarHBondContact CZ-O 3.31Å; A370-C398 HydrophobicContact CB-CB 4.29Å; C394-C398 PolarHBondContact O-N 3.02Å; C394-C398 VanDerWaalsContact O-N 3.16Å; C398-N402 HydrophobicContact CB-CB 4.21Å
399	P	94.9	Very high	94.2	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.032	15%	0.153	C	C	.	.			trans	-60	151.2	176	-23.5	33.9	0	0	0	112.8	A325 F327 L336 S401 N402	A325-P399 HydrophobicContact CB-CG 4.44Å; A325-P399 WeakPolarHBondContact O-CD 3.38Å; F327-P399 HydrophobicContact CD1-CG 4.04Å; F327-P399 HydrophobicContact CE1-CB 4.25Å; F327-P399 HydrophobicContact CE1-CG 3.94Å; F327-P399 HydrophobicContact CG-CG 4.42Å; F327-P399 HydrophobicContact CZ-CB 4.38Å; F327-P399 HydrophobicContact CZ-CG 4.26Å; L336-P399 HydrophobicContact CD2-CB 3.87Å; L336-P399 HydrophobicContact CD2-CG 3.39Å; P399-S401 PolarHBondContact O-N 3.13Å; P399-S401 VanDerWaalsContact O-N 3.1Å; P399-N402 WeakPolarHBondContact O-CB 3.29Å; P399-N402 PolarHBondContact O-N 2.96Å
400	S	93.6	Very high	94.1	Very high	76 Å²	76	30.5 Å²	30.5	53%	0.531	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	178.7	59.5	0	0	0	0	113.9	I406 K409	S400-I406 WeakPolarHBondContact O-CD1 3.44Å; S400-K409 PolarHBondContact O-NZ 3.46Å
401	S	93.9	Very high	94	Very high	22 Å²	22	32.4 Å²	32.4	15%	0.154	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.3	178.3	65.1	0	0	0	0	114.4	T321 Y322 L323 P399 Y403	T321-S401 WeakPolarHBondContact O-CB 3.47Å; Y322-S401 PolarHBondContact O-OG 2.61Å; L323-S401 WeakPolarHBondContact CD2-O 3.34Å; P399-S401 PolarHBondContact O-N 3.13Å; P399-S401 VanDerWaalsContact O-N 3.1Å; S401-Y403 PolarHBondContact O-N 3.4Å
402	N	96	Very high	93.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.			trans	-61.7	135.1	-177.9	-176.1	-77.4	0	0	0	110.3	L323 A325 Q367 C398 P399 V404 L405 I406	L323-N402 WeakPolarHBondContact O-CA 3.49Å; A325-N402 PolarHBondContact O-ND2 3.05Å; Q367-N402 PolarHBondContact OE1-ND2 3.2Å; C398-N402 HydrophobicContact CB-CB 4.21Å; P399-N402 WeakPolarHBondContact O-CB 3.29Å; P399-N402 PolarHBondContact O-N 2.96Å; N402-V404 PolarHBondContact O-N 3.14Å; N402-V404 WeakPolarHBondContact OD1-CG2 3.34Å; N402-V404 PolarHBondContact OD1-N 3Å; N402-V404 VanDerWaalsContact OD1-N 3.12Å; N402-L405 WeakPolarHBondContact O-CB 3.46Å; N402-L405 PolarHBondContact O-N 3.47Å; N402-I406 WeakPolarHBondContact O-CG1 3.23Å; N402-I406 PolarHBondContact O-N 3.42Å
403	Y	95.3	Very high	93.8	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-31.5	-171	78.4	-88.4	0	0	0	114	L290 L323 Q367 L371 S401 L405 I406 E407	L290-Y403 WeakPolarHBondContact O-CB 3.41Å; L323-Y403 WeakPolarHBondContact O-CD1 3.16Å; L323-Y403 PolarHBondContact O-N 3.19Å; Q367-Y403 VanDerWaalsContact NE2-CE1 3.27Å; Q367-Y403 PolarHBondContact NE2-OH 3.32Å; L371-Y403 HydrophobicContact CD1-CE2 4.46Å; S401-Y403 PolarHBondContact O-N 3.4Å; Y403-L405 VanDerWaalsContact C-N 3.35Å; Y403-I406 PolarHBondContact O-N 2.92Å; Y403-E407 WeakPolarHBondContact O-CG 3.49Å; Y403-E407 PolarHBondContact O-N 3.09Å
404	V	93.9	Very high	93.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-42.1	178.7	-177.4	0	0	0	0	110.4	Q367 L371 I374 N402 E407 A408	Q367-V404 VanDerWaalsContact NE2-CG2 3.29Å; L371-V404 HydrophobicContact CB-CG2 4.25Å; L371-V404 HydrophobicContact CD1-CG1 4.13Å; L371-V404 HydrophobicContact CD1-CG2 3.65Å; I374-V404 HydrophobicContact CB-CG1 3.67Å; I374-V404 HydrophobicContact CD1-CB 4.15Å; I374-V404 HydrophobicContact CD1-CG1 3.54Å; I374-V404 HydrophobicContact CG1-CG1 4.16Å; I374-V404 HydrophobicContact CG2-CG1 3.83Å; N402-V404 PolarHBondContact O-N 3.14Å; N402-V404 WeakPolarHBondContact OD1-CG2 3.34Å; N402-V404 PolarHBondContact OD1-N 3Å; N402-V404 VanDerWaalsContact OD1-N 3.12Å; V404-E407 PolarHBondContact O-N 3.15Å; V404-A408 PolarHBondContact O-N 3.15Å
405	L	95.1	Very high	93.4	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-72.2	-33.4	178.6	-171.9	54.8	0	0	0	111.5	I374 I390 C394 N402 Y403 A408 K409	I374-L405 HydrophobicContact CD1-CB 4.5Å; I390-L405 HydrophobicContact CB-CD1 4.35Å; I390-L405 HydrophobicContact CG1-CD1 4.04Å; I390-L405 HydrophobicContact CG2-CD1 3.96Å; C394-L405 HydrophobicContact CB-CD1 3.64Å; C394-L405 HydrophobicContact CB-CD2 3.97Å; C394-L405 HydrophobicContact CB-CG 4.47Å; N402-L405 WeakPolarHBondContact O-CB 3.46Å; N402-L405 PolarHBondContact O-N 3.47Å; Y403-L405 VanDerWaalsContact C-N 3.35Å; L405-A408 HydrophobicContact CD1-CB 4.42Å; L405-A408 WeakPolarHBondContact O-CB 3.15Å; L405-A408 PolarHBondContact O-N 3.46Å; L405-K409 VanDerWaalsContact O-CG 3.31Å; L405-K409 WeakPolarHBondContact O-CG 3.4Å; L405-K409 PolarHBondContact O-N 3.01Å
406	I	95.7	Very high	93.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-41.5	171.7	-59.7	-54.2	0	0	0	111.3	L290 L323 S400 N402 Y403 A408 K409 L410 V439 I442	L290-I406 HydrophobicContact CD1-CG2 3.84Å; L290-I406 HydrophobicContact CD2-CG2 4.32Å; L323-I406 HydrophobicContact CD2-CG1 4.32Å; S400-I406 WeakPolarHBondContact O-CD1 3.44Å; N402-I406 WeakPolarHBondContact O-CG1 3.23Å; N402-I406 PolarHBondContact O-N 3.42Å; Y403-I406 PolarHBondContact O-N 2.92Å; I406-A408 VanDerWaalsContact C-N 3.31Å; I406-A408 PolarHBondContact O-N 3.32Å; I406-K409 HydrophobicContact CD1-CD 4.18Å; I406-K409 PolarHBondContact O-N 2.97Å; I406-L410 PolarHBondContact O-N 3.09Å; I406-V439 HydrophobicContact CG2-CG2 4.1Å; I406-I442 HydrophobicContact CD1-CD1 3.37Å; I406-I442 HydrophobicContact CG1-CD1 3.53Å; I406-I442 HydrophobicContact CG2-CD1 4.28Å
407	E	93.8	Very high	93.2	Very high	35 Å²	35	21.8 Å²	21.8	16%	0.164	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-38.5	173.4	-77	-167.6	150.5	0	0	111.7	K288 W291 Y403 V404 L410 N411	K288-E407 IonicContact NZ-OE1 3.07Å; K288-E407 PolarHBondContact NZ-OE1 2.97Å; W291-E407 PolarHBondContact NE1-OE1 3.24Å; Y403-E407 WeakPolarHBondContact O-CG 3.49Å; Y403-E407 PolarHBondContact O-N 3.09Å; V404-E407 PolarHBondContact O-N 3.15Å; E407-L410 PolarHBondContact O-N 3.32Å; E407-N411 PolarHBondContact O-N 3.43Å
408	A	94.7	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-46.3	173.2	0	0	0	0	0	113	I374 I378 M386 I390 V404 L405 I406 L410 N411 V412	I374-A408 HydrophobicContact CG2-CB 3.68Å; I378-A408 HydrophobicContact CD1-CB 3.97Å; I378-A408 HydrophobicContact CG1-CB 4.3Å; M386-A408 HydrophobicContact CE-CB 3.4Å; I390-A408 HydrophobicContact CD1-CB 4.05Å; I390-A408 HydrophobicContact CG1-CB 4.27Å; V404-A408 PolarHBondContact O-N 3.15Å; L405-A408 HydrophobicContact CD1-CB 4.42Å; L405-A408 WeakPolarHBondContact O-CB 3.15Å; L405-A408 PolarHBondContact O-N 3.46Å; I406-A408 VanDerWaalsContact C-N 3.31Å; I406-A408 PolarHBondContact O-N 3.32Å; A408-L410 VanDerWaalsContact C-N 3.33Å; A408-L410 PolarHBondContact O-N 3.39Å; A408-N411 WeakPolarHBondContact O-CB 3.34Å; A408-N411 PolarHBondContact O-N 2.92Å; A408-N411 VanDerWaalsContact O-N 3.14Å; A408-V412 PolarHBondContact O-N 3.19Å; A408-V412 VanDerWaalsContact O-N 3.15Å
409	K	95.7	Very high	91.8	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-43.3	175.8	-73.9	170.1	-178.5	174.4	0	111.6	I390 S400 L405 I406 N411 V412 I413 Y435 E438	I390-K409 HydrophobicContact CD1-CG 4.27Å; I390-K409 HydrophobicContact CG2-CG 4.14Å; S400-K409 PolarHBondContact O-NZ 3.46Å; L405-K409 VanDerWaalsContact O-CG 3.31Å; L405-K409 WeakPolarHBondContact O-CG 3.4Å; L405-K409 PolarHBondContact O-N 3.01Å; I406-K409 HydrophobicContact CD1-CD 4.18Å; I406-K409 PolarHBondContact O-N 2.97Å; K409-N411 VanDerWaalsContact C-N 3.3Å; K409-N411 PolarHBondContact O-N 2.91Å; K409-V412 WeakPolarHBondContact O-CB 3.47Å; K409-V412 PolarHBondContact O-N 3.12Å; K409-I413 WeakPolarHBondContact O-CG1 3.42Å; K409-I413 PolarHBondContact O-N 2.95Å; K409-Y435 HydrophobicContact CB-CD1 4.35Å; K409-Y435 HydrophobicContact CB-CD2 4.29Å; K409-Y435 HydrophobicContact CB-CG 3.98Å; K409-Y435 HydrophobicContact CD-CD1 3.82Å; K409-Y435 HydrophobicContact CD-CE1 4.3Å; K409-Y435 HydrophobicContact CD-CG 4.27Å; K409-Y435 HydrophobicContact CG-CD1 3.7Å; K409-Y435 HydrophobicContact CG-CD2 4.19Å; K409-Y435 HydrophobicContact CG-CE1 4.03Å; K409-Y435 HydrophobicContact CG-CE2 4.49Å; K409-Y435 HydrophobicContact CG-CG 3.8Å; K409-E438 WeakPolarHBondContact CD-OE2 3.32Å; K409-E438 WeakPolarHBondContact CE-OE2 3.29Å; K409-E438 IonicContact NZ-OE1 3.85Å; K409-E438 IonicContact NZ-OE2 2.61Å; K409-E438 PolarHBondContact NZ-OE2 2.99Å
410	L	94.2	Very high	90.5	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-40.3	173.6	-84.9	173.1	0	0	0	112.6	L290 I406 E407 A408 V412 I413 W414 V439 L453 I457	L290-L410 HydrophobicContact CD1-CD1 3.19Å; L290-L410 HydrophobicContact CD1-CG 4.42Å; I406-L410 PolarHBondContact O-N 3.09Å; E407-L410 PolarHBondContact O-N 3.32Å; A408-L410 VanDerWaalsContact C-N 3.33Å; A408-L410 PolarHBondContact O-N 3.39Å; L410-V412 VanDerWaalsContact C-N 3.3Å; L410-V412 PolarHBondContact O-N 3.3Å; L410-I413 HydrophobicContact CD2-CD1 4.19Å; L410-I413 PolarHBondContact O-N 3.08Å; L410-W414 HydrophobicContact CD2-CZ2 3.81Å; L410-W414 VanDerWaalsContact O-CG 3.25Å; L410-W414 PolarHBondContact O-N 3.03Å; L410-W414 PolarHBondContact O-NE1 3.23Å; L410-V439 HydrophobicContact CD1-CG1 4.38Å; L410-V439 HydrophobicContact CD2-CG1 4.07Å; L410-V439 HydrophobicContact CD2-CG2 4.22Å; L410-V439 HydrophobicContact CG-CG1 4.27Å; L410-V439 HydrophobicContact CG-CG2 4.06Å; L410-L453 HydrophobicContact CD1-CD1 4.49Å; L410-L453 HydrophobicContact CD2-CD1 4.34Å; L410-I457 HydrophobicContact CD2-CD1 3.75Å; L410-I457 HydrophobicContact CD2-CG1 3.98Å
411	N	92.7	Very high	89.4	Confident	43 Å²	43	42.7 Å²	42.7	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-40.5	176.6	-171.4	-91.8	0	0	0	112.1	I378 E407 A408 K409 W414 R415	I378-N411 HydrophobicContact CG2-CB 4.12Å; E407-N411 PolarHBondContact O-N 3.43Å; A408-N411 WeakPolarHBondContact O-CB 3.34Å; A408-N411 PolarHBondContact O-N 2.92Å; A408-N411 VanDerWaalsContact O-N 3.14Å; K409-N411 VanDerWaalsContact C-N 3.3Å; K409-N411 PolarHBondContact O-N 2.91Å; N411-W414 PolarHBondContact O-N 2.82Å; N411-R415 WeakPolarHBondContact O-CB 3.16Å; N411-R415 VanDerWaalsContact O-CG 3.29Å; N411-R415 WeakPolarHBondContact O-CG 3.24Å; N411-R415 PolarHBondContact O-N 3.32Å; N411-R415 WeakPolarHBondContact OD1-CD 3.38Å
412	V	93.8	Very high	88.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-50.6	173.4	172.5	0	0	0	0	110.8	V383 M386 I387 I390 A408 K409 L410 W414 R415 M416 Y435	V383-V412 HydrophobicContact CG1-CG1 4.28Å; M386-V412 HydrophobicContact CB-CG2 4.01Å; M386-V412 HydrophobicContact CG-CG2 3.61Å; I387-V412 HydrophobicContact CD1-CG1 4.18Å; I387-V412 HydrophobicContact CG1-CG1 3.89Å; I387-V412 HydrophobicContact CG1-CG2 4.45Å; I390-V412 HydrophobicContact CD1-CG2 3.8Å; A408-V412 PolarHBondContact O-N 3.19Å; A408-V412 VanDerWaalsContact O-N 3.15Å; K409-V412 WeakPolarHBondContact O-CB 3.47Å; K409-V412 PolarHBondContact O-N 3.12Å; L410-V412 VanDerWaalsContact C-N 3.3Å; L410-V412 PolarHBondContact O-N 3.3Å; V412-W414 VanDerWaalsContact C-N 3.31Å; V412-W414 PolarHBondContact O-N 3.08Å; V412-R415 PolarHBondContact O-N 3.08Å; V412-M416 HydrophobicContact CG1-CG 4.25Å; V412-M416 HydrophobicContact CG1-SD 3.56Å; V412-M416 VanDerWaalsContact CG1-SD 3.56Å; V412-M416 WeakPolarHBondContact O-CB 3.38Å; V412-M416 WeakPolarHBondContact O-CG 3.4Å; V412-M416 PolarHBondContact O-N 2.74Å; V412-Y435 HydrophobicContact CB-CD2 4.29Å; V412-Y435 HydrophobicContact CB-CE2 4.38Å; V412-Y435 HydrophobicContact CG1-CD2 4.11Å; V412-Y435 HydrophobicContact CG1-CE2 4.1Å
413	I	93.4	Very high	87.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-53.9	-48.8	178	-63.8	164.4	0	0	0	110.6	K409 L410 R415 M416 T417 M432 R436 V439	K409-I413 WeakPolarHBondContact O-CG1 3.42Å; K409-I413 PolarHBondContact O-N 2.95Å; L410-I413 HydrophobicContact CD2-CD1 4.19Å; L410-I413 PolarHBondContact O-N 3.08Å; I413-R415 PolarHBondContact O-N 3.32Å; I413-M416 PolarHBondContact O-N 2.98Å; I413-T417 WeakPolarHBondContact O-CB 3.31Å; I413-T417 PolarHBondContact O-N 3.17Å; I413-T417 PolarHBondContact O-OG1 3.14Å; I413-M432 HydrophobicContact CG1-CG 4.19Å; I413-R436 HydrophobicContact CD1-CB 4.46Å; I413-R436 HydrophobicContact CD1-CG 3.81Å; I413-R436 HydrophobicContact CG1-CG 4.05Å; I413-R436 HydrophobicContact CG2-CG 4.18Å; I413-V439 HydrophobicContact CD1-CG2 4.39Å
414	W	90.3	Very high	87.5	Confident	76 Å²	76	57.9 Å²	57.9	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-66.1	-38.5	-179	-60	132.6	0	0	0	113.6	L410 N411 V412 R418 L453 L456 I457	L410-W414 HydrophobicContact CD2-CZ2 3.81Å; L410-W414 VanDerWaalsContact O-CG 3.25Å; L410-W414 PolarHBondContact O-N 3.03Å; L410-W414 PolarHBondContact O-NE1 3.23Å; N411-W414 PolarHBondContact O-N 2.82Å; V412-W414 VanDerWaalsContact C-N 3.31Å; V412-W414 PolarHBondContact O-N 3.08Å; W414-R418 WeakPolarHBondContact O-CG 3.43Å; W414-R418 PolarHBondContact O-N 3.03Å; W414-L453 HydrophobicContact CH2-CD1 4.42Å; W414-L453 HydrophobicContact CZ2-CD1 3.77Å; W414-L456 HydrophobicContact CH2-CB 3.31Å; W414-L456 HydrophobicContact CH2-CD1 4.48Å; W414-L456 HydrophobicContact CH2-CG 4.43Å; W414-L456 HydrophobicContact CZ2-CB 4.25Å; W414-L456 HydrophobicContact CZ3-CB 3.76Å; W414-L456 WeakPolarHBondContact CZ3-O 2.99Å; W414-I457 HydrophobicContact CH2-CG1 3.81Å; W414-I457 HydrophobicContact CZ2-CG1 4.13Å
415	R	89.3	Confident	87.5	Confident	65 Å²	65	60.6 Å²	60.6	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-46.4	177.6	-73.5	173.2	67.3	176.2	3.1	110.4	C381 V383 N411 V412 I413 T417 R418 F419	C381-R415 PolarHBondContact O-NH1 3.32Å; C381-R415 PolarHBondContact O-NH2 2.9Å; V383-R415 HydrophobicContact CG2-CB 3.8Å; N411-R415 WeakPolarHBondContact O-CB 3.16Å; N411-R415 VanDerWaalsContact O-CG 3.29Å; N411-R415 WeakPolarHBondContact O-CG 3.24Å; N411-R415 PolarHBondContact O-N 3.32Å; N411-R415 WeakPolarHBondContact OD1-CD 3.38Å; V412-R415 PolarHBondContact O-N 3.08Å; I413-R415 PolarHBondContact O-N 3.32Å; R415-T417 VanDerWaalsContact C-N 3.34Å; R415-T417 PolarHBondContact O-N 2.98Å; R415-R418 PolarHBondContact O-N 3.34Å; R415-F419 WeakPolarHBondContact O-CD2 3.3Å
416	M	91.2	Very high	87.3	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-34.8	-179.9	-67.8	179.8	73.3	0	0	112.8	V383 I387 V412 I413 R418 F419 Y424 E428 M432	V383-M416 HydrophobicContact CG1-CG 3.58Å; V383-M416 HydrophobicContact CG1-SD 3.83Å; I387-M416 HydrophobicContact CD1-SD 4.12Å; V412-M416 HydrophobicContact CG1-CG 4.25Å; V412-M416 HydrophobicContact CG1-SD 3.56Å; V412-M416 VanDerWaalsContact CG1-SD 3.56Å; V412-M416 WeakPolarHBondContact O-CB 3.38Å; V412-M416 WeakPolarHBondContact O-CG 3.4Å; V412-M416 PolarHBondContact O-N 2.74Å; I413-M416 PolarHBondContact O-N 2.98Å; M416-R418 PolarHBondContact O-N 3.43Å; M416-F419 PolarHBondContact O-N 2.82Å; M416-F419 VanDerWaalsContact O-O 3.14Å; M416-Y424 HydrophobicContact CB-CE2 4.05Å; M416-Y424 HydrophobicContact CE-CD1 3.83Å; M416-Y424 HydrophobicContact CE-CD2 4.05Å; M416-Y424 HydrophobicContact CE-CE1 4.36Å; M416-Y424 HydrophobicContact CE-CG 3.66Å; M416-Y424 HydrophobicContact CG-CD1 4.32Å; M416-Y424 HydrophobicContact CG-CE1 3.9Å; M416-Y424 HydrophobicContact CG-CE2 4.15Å; M416-E428 HydrophobicContact CE-CB 4.02Å; M416-M432 HydrophobicContact CB-SD 3.56Å; M416-M432 VanDerWaalsContact CB-SD 3.56Å; M416-M432 HydrophobicContact CE-CB 3.97Å; M416-M432 HydrophobicContact CE-SD 4.23Å; M416-M432 HydrophobicContact CG-SD 4.45Å; M416-M432 HydrophobicContact SD-CB 3.8Å; M416-M432 HydrophobicContact SD-CG 4.16Å; M416-M432 HydrophobicContact SD-SD 4.17Å
417	T	86.9	Confident	87.3	Confident	72 Å²	72	72.8 Å²	72.8	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-72.3	-15.4	178.1	-49.9	0	0	0	0	112.8	I413 R415	I413-T417 WeakPolarHBondContact O-CB 3.31Å; I413-T417 PolarHBondContact O-N 3.17Å; I413-T417 PolarHBondContact O-OG1 3.14Å; R415-T417 VanDerWaalsContact C-N 3.34Å; R415-T417 PolarHBondContact O-N 2.98Å
418	R	79.9	Confident	87.3	Confident	211 Å²	211	71.9 Å²	71.9	80%	0.796	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.9	178.8	-83.8	177.5	166.2	-165.5	-6	114.3	W414 R415 M416	W414-R418 WeakPolarHBondContact O-CG 3.43Å; W414-R418 PolarHBondContact O-N 3.03Å; R415-R418 PolarHBondContact O-N 3.34Å; M416-R418 PolarHBondContact O-N 3.43Å
419	F	72.7	Confident	87.2	Confident	108 Å²	108	74.8 Å²	74.8	47%	0.474	36%	0.357	S	S	.	.	S	Bend	trans	-114.1	160	-178.2	-59.6	-79.5	0	0	0	109.5	R415 M416 E423 Y424	R415-F419 WeakPolarHBondContact O-CD2 3.3Å; M416-F419 PolarHBondContact O-N 2.82Å; M416-F419 VanDerWaalsContact O-O 3.14Å; F419-E423 WeakPolarHBondContact CB-OE2 3.42Å; F419-Y424 HydrophobicContact CB-CE2 4.17Å; F419-Y424 WeakPolarHBondContact CD2-OH 3.2Å
420	D	69.1	Low	87.2	Confident	127 Å²	127	76.4 Å²	76.4	68%	0.679	38%	0.376	S	S	*	.			trans	-63.8	141.5	-179.8	-79.7	-41.1	0	0	0	111.1	E422 E423	D420-E422 PolarHBondContact O-N 3.19Å; D420-E423 PolarHBondContact O-N 2.99Å; D420-E423 VanDerWaalsContact O-N 3.08Å
421	H	69.9	Low	87.3	Confident	100 Å²	100	77.6 Å²	77.6	46%	0.463	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-57.9	-22.3	-178.6	-76.1	-76.3	0	0	0	113.4	E423 Y424	H421-E423 PolarHBondContact O-N 3.38Å; H421-Y424 PolarHBondContact O-N 2.89Å
422	E	72.4	Confident	87.4	Confident	192 Å²	192	75.6 Å²	75.6	90%	0.897	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16	179.2	-59.7	-173	173.8	0	0	113.5	D420 Y424	D420-E422 PolarHBondContact O-N 3.19Å; E422-Y424 VanDerWaalsContact C-N 3.33Å
423	E	83.7	Confident	87.4	Confident	131 Å²	131	78.7 Å²	78.7	61%	0.612	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-79.2	-13.8	178.6	-66.2	-168.9	166.1	0	0	113.9	F419 D420 H421	F419-E423 WeakPolarHBondContact CB-OE2 3.42Å; D420-E423 PolarHBondContact O-N 2.99Å; D420-E423 VanDerWaalsContact O-N 3.08Å; H421-E423 PolarHBondContact O-N 3.38Å
424	Y	89.6	Confident	87.6	Confident	32 Å²	32	83.1 Å²	83.1	13%	0.125	40%	0.404	C	S	.	.	S	Bend	trans	-112.9	145.1	-171.2	-59.9	-71.2	0	0	0	112.8	V383 M416 F419 H421 E422 E428	V383-Y424 HydrophobicContact CB-CE1 4.24Å; V383-Y424 HydrophobicContact CG1-CE1 4.03Å; V383-Y424 HydrophobicContact CG2-CE1 4.44Å; M416-Y424 HydrophobicContact CB-CE2 4.05Å; M416-Y424 HydrophobicContact CE-CD1 3.83Å; M416-Y424 HydrophobicContact CE-CD2 4.05Å; M416-Y424 HydrophobicContact CE-CE1 4.36Å; M416-Y424 HydrophobicContact CE-CG 3.66Å; M416-Y424 HydrophobicContact CG-CD1 4.32Å; M416-Y424 HydrophobicContact CG-CE1 3.9Å; M416-Y424 HydrophobicContact CG-CE2 4.15Å; F419-Y424 HydrophobicContact CB-CE2 4.17Å; F419-Y424 WeakPolarHBondContact CD2-OH 3.2Å; H421-Y424 PolarHBondContact O-N 2.89Å; E422-Y424 VanDerWaalsContact C-N 3.33Å; Y424-E428 VanDerWaalsContact CA-OE2 3.32Å; Y424-E428 WeakPolarHBondContact CA-OE2 3.32Å; Y424-E428 WeakPolarHBondContact CB-OE2 3.27Å; Y424-E428 WeakPolarHBondContact CD1-OE2 3.28Å
425	T	92.8	Very high	87.9	Confident	58 Å²	58	79.5 Å²	79.5	36%	0.356	39%	0.39	S	S	.	.			trans	-71	155.9	176.6	67.7	0	0	0	0	111.3	E427 E428 M429	T425-E427 PolarHBondContact O-N 3.43Å; T425-E427 VanDerWaalsContact O-N 3.16Å; T425-E428 PolarHBondContact N-OE2 3.48Å; T425-E428 PolarHBondContact O-N 2.75Å; T425-E428 VanDerWaalsContact O-N 3.08Å; T425-E428 VanDerWaalsContact OG1-CG 3.3Å; T425-E428 WeakPolarHBondContact OG1-CG 3.48Å; T425-E428 PolarHBondContact OG1-N 3.28Å; T425-E428 PolarHBondContact OG1-OE1 2.85Å; T425-E428 PolarHBondContact OG1-OE2 3.45Å; T425-M429 PolarHBondContact O-N 2.91Å
426	P	92.6	Very high	88.2	Confident	117 Å²	117	79 Å²	79	76%	0.76	39%	0.388	S	S	*	.	H	α-helix	trans	-55.6	-31.9	174.1	-27.3	35.3	0	0	0	113.6	G430	P426-G430 PolarHBondContact O-N 2.99Å
427	E	94.1	Very high	88.5	Confident	143 Å²	143	85.3 Å²	85.3	67%	0.668	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-45	175.9	-176.8	175.3	-167.9	0	0	111.8	T425 M429 G430 H431	T425-E427 PolarHBondContact O-N 3.43Å; T425-E427 VanDerWaalsContact O-N 3.16Å; E427-M429 VanDerWaalsContact C-N 3.34Å; E427-M429 PolarHBondContact O-N 3.49Å; E427-G430 PolarHBondContact O-N 3.45Å; E427-H431 PolarHBondContact O-CD2 3.02Å; E427-H431 VanDerWaalsContact O-CD2 3.28Å; E427-H431 PolarHBondContact O-N 3.15Å
428	E	94.5	Very high	88.9	Confident	15 Å²	15	84.6 Å²	84.6	7%	0.07	41%	0.409	C	S	.	.	H	α-helix	trans	-62.8	-41.7	176	-72.7	154.8	-164.1	0	0	111.9	Q384 I387 M416 Y424 T425 G430 H431 M432	Q384-E428 VanDerWaalsContact CD-OE1 3.27Å; Q384-E428 HydrophobicContact CG-CG 4.45Å; Q384-E428 WeakPolarHBondContact CG-OE1 3.25Å; Q384-E428 PolarHBondContact NE2-OE1 3.05Å; I387-E428 HydrophobicContact CD1-CB 4.02Å; I387-E428 HydrophobicContact CD1-CG 3.9Å; M416-E428 HydrophobicContact CE-CB 4.02Å; Y424-E428 VanDerWaalsContact CA-OE2 3.32Å; Y424-E428 WeakPolarHBondContact CA-OE2 3.32Å; Y424-E428 WeakPolarHBondContact CB-OE2 3.27Å; Y424-E428 WeakPolarHBondContact CD1-OE2 3.28Å; T425-E428 PolarHBondContact N-OE2 3.48Å; T425-E428 PolarHBondContact O-N 2.75Å; T425-E428 VanDerWaalsContact O-N 3.08Å; T425-E428 VanDerWaalsContact OG1-CG 3.3Å; T425-E428 WeakPolarHBondContact OG1-CG 3.48Å; T425-E428 PolarHBondContact OG1-N 3.28Å; T425-E428 PolarHBondContact OG1-OE1 2.85Å; T425-E428 PolarHBondContact OG1-OE2 3.45Å; E428-G430 VanDerWaalsContact C-N 3.35Å; E428-H431 WeakPolarHBondContact O-CB 3.23Å; E428-H431 PolarHBondContact O-N 3.05Å; E428-M432 PolarHBondContact O-N 3.06Å
429	M	93	Very high	89.7	Confident	61 Å²	61	74.6 Å²	74.6	30%	0.3	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-45.1	173.4	-73.3	-171.1	51.7	0	0	111.6	T425 E427 H431 M432 D433	T425-M429 PolarHBondContact O-N 2.91Å; E427-M429 VanDerWaalsContact C-N 3.34Å; E427-M429 PolarHBondContact O-N 3.49Å; M429-H431 VanDerWaalsContact C-N 3.26Å; M429-H431 PolarHBondContact O-N 2.86Å; M429-M432 WeakPolarHBondContact O-CB 3.4Å; M429-M432 PolarHBondContact O-N 2.95Å; M429-M432 VanDerWaalsContact O-N 3.09Å; M429-D433 PolarHBondContact O-N 3.5Å
430	G	95.3	Very high	90.9	Very high	41 Å²	41	71.9 Å²	71.9	42%	0.423	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-36.3	175.2	0	0	0	0	0	113	P426 E427 E428 R434	P426-G430 PolarHBondContact O-N 2.99Å; E427-G430 PolarHBondContact O-N 3.45Å; E428-G430 VanDerWaalsContact C-N 3.35Å; G430-R434 WeakPolarHBondContact O-CB 3.44Å; G430-R434 PolarHBondContact O-N 3.41Å; G430-R434 VanDerWaalsContact O-N 3.12Å
431	H	96.5	Very high	92.2	Very high	35 Å²	35	68.3 Å²	68.3	16%	0.162	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-43.2	172.3	-73.1	-48.7	0	0	0	112.9	I387 N391 E427 E428 M429 R434 Y435	I387-H431 HydrophobicContact CG2-CB 4.04Å; I387-H431 WeakPolarHBondContact CG2-CD2 3.22Å; N391-H431 PolarHBondContact ND2-CE1 3.05Å; N391-H431 PolarHBondContact ND2-ND1 3.05Å; E427-H431 PolarHBondContact O-CD2 3.02Å; E427-H431 VanDerWaalsContact O-CD2 3.28Å; E427-H431 PolarHBondContact O-N 3.15Å; E428-H431 WeakPolarHBondContact O-CB 3.23Å; E428-H431 PolarHBondContact O-N 3.05Å; M429-H431 VanDerWaalsContact C-N 3.26Å; M429-H431 PolarHBondContact O-N 2.86Å; H431-R434 PolarHBondContact ND1-NH2 3.09Å; H431-R434 PolarHBondContact O-N 3.3Å; H431-Y435 HydrophobicContact CB-CE2 4.29Å; H431-Y435 WeakPolarHBondContact O-CD1 3.47Å; H431-Y435 VanDerWaalsContact O-CD2 3.31Å; H431-Y435 WeakPolarHBondContact O-CD2 3.49Å; H431-Y435 PolarHBondContact O-N 2.88Å
432	M	94.3	Very high	93.5	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-46.6	176.4	-176	-176.1	58.4	0	0	111.3	I413 M416 E428 M429 Y435 R436	I413-M432 HydrophobicContact CG1-CG 4.19Å; M416-M432 HydrophobicContact CB-SD 3.56Å; M416-M432 VanDerWaalsContact CB-SD 3.56Å; M416-M432 HydrophobicContact CE-CB 3.97Å; M416-M432 HydrophobicContact CE-SD 4.23Å; M416-M432 HydrophobicContact CG-SD 4.45Å; M416-M432 HydrophobicContact SD-CB 3.8Å; M416-M432 HydrophobicContact SD-CG 4.16Å; M416-M432 HydrophobicContact SD-SD 4.17Å; E428-M432 PolarHBondContact O-N 3.06Å; M429-M432 WeakPolarHBondContact O-CB 3.4Å; M429-M432 PolarHBondContact O-N 2.95Å; M429-M432 VanDerWaalsContact O-N 3.09Å; M432-Y435 WeakPolarHBondContact O-CB 3.42Å; M432-Y435 PolarHBondContact O-N 2.88Å; M432-Y435 VanDerWaalsContact O-N 3.15Å; M432-R436 WeakPolarHBondContact O-CG 3.4Å; M432-R436 PolarHBondContact O-N 2.66Å
433	D	94.8	Very high	94.6	Very high	65 Å²	65	55.2 Å²	55.2	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-43.5	-179.2	-70.5	-25.7	0	0	0	111.5	M429 Y435 R436 E437	M429-D433 PolarHBondContact O-N 3.5Å; D433-Y435 VanDerWaalsContact C-N 3.28Å; D433-Y435 PolarHBondContact O-N 3.08Å; D433-R436 WeakPolarHBondContact O-CB 3.46Å; D433-R436 PolarHBondContact O-N 3.44Å; D433-R436 VanDerWaalsContact O-N 3.09Å; D433-R436 IonicContact OD1-NH1 2.95Å; D433-R436 PolarHBondContact OD1-NH1 3.04Å; D433-R436 VanDerWaalsContact OD1-NH1 3.07Å; D433-E437 WeakPolarHBondContact O-CG 3.49Å; D433-E437 PolarHBondContact O-N 3.12Å
434	R	96.7	Very high	95.2	Very high	93 Å²	93	56.5 Å²	56.5	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-41.2	172.1	-174.6	-178.8	62.2	-178.4	0.8	112	N391 G430 H431 E437 E438	N391-R434 PolarHBondContact ND2-NH2 2.7Å; N391-R434 PolarHBondContact OD1-NH2 3.47Å; G430-R434 WeakPolarHBondContact O-CB 3.44Å; G430-R434 PolarHBondContact O-N 3.41Å; G430-R434 VanDerWaalsContact O-N 3.12Å; H431-R434 PolarHBondContact ND1-NH2 3.09Å; H431-R434 PolarHBondContact O-N 3.3Å; R434-E437 PolarHBondContact O-N 2.91Å; R434-E438 WeakPolarHBondContact O-CG 3.49Å; R434-E438 PolarHBondContact O-N 3.21Å
435	Y	96.7	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-37.8	176.6	-64	-20.4	0	0	0	112.3	I387 I390 N391 K409 V412 H431 M432 D433 E438 V439	I387-Y435 HydrophobicContact CG1-CE2 4.41Å; I390-Y435 HydrophobicContact CD1-CE2 4.33Å; I390-Y435 HydrophobicContact CG2-CE1 3.88Å; I390-Y435 VanDerWaalsContact CG2-OH 3.28Å; I390-Y435 WeakPolarHBondContact CG2-OH 3.31Å; N391-Y435 PolarHBondContact ND2-OH 3.01Å; N391-Y435 PolarHBondContact OD1-OH 2.99Å; N391-Y435 VanDerWaalsContact OD1-OH 3.12Å; K409-Y435 HydrophobicContact CB-CD1 4.35Å; K409-Y435 HydrophobicContact CB-CD2 4.29Å; K409-Y435 HydrophobicContact CB-CG 3.98Å; K409-Y435 HydrophobicContact CD-CD1 3.82Å; K409-Y435 HydrophobicContact CD-CE1 4.3Å; K409-Y435 HydrophobicContact CD-CG 4.27Å; K409-Y435 HydrophobicContact CG-CD1 3.7Å; K409-Y435 HydrophobicContact CG-CD2 4.19Å; K409-Y435 HydrophobicContact CG-CE1 4.03Å; K409-Y435 HydrophobicContact CG-CE2 4.49Å; K409-Y435 HydrophobicContact CG-CG 3.8Å; V412-Y435 HydrophobicContact CB-CD2 4.29Å; V412-Y435 HydrophobicContact CB-CE2 4.38Å; V412-Y435 HydrophobicContact CG1-CD2 4.11Å; V412-Y435 HydrophobicContact CG1-CE2 4.1Å; H431-Y435 HydrophobicContact CB-CE2 4.29Å; H431-Y435 WeakPolarHBondContact O-CD1 3.47Å; H431-Y435 VanDerWaalsContact O-CD2 3.31Å; H431-Y435 WeakPolarHBondContact O-CD2 3.49Å; H431-Y435 PolarHBondContact O-N 2.88Å; M432-Y435 WeakPolarHBondContact O-CB 3.42Å; M432-Y435 PolarHBondContact O-N 2.88Å; M432-Y435 VanDerWaalsContact O-N 3.15Å; D433-Y435 VanDerWaalsContact C-N 3.28Å; D433-Y435 PolarHBondContact O-N 3.08Å; Y435-E438 PolarHBondContact O-N 2.98Å; Y435-V439 WeakPolarHBondContact O-CG2 3.19Å; Y435-V439 PolarHBondContact O-N 3.22Å
436	R	96	Very high	95.7	Very high	54 Å²	54	57.3 Å²	57.3	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-48.9	173.8	-69.4	175.1	170.8	160.4	-8.6	110.4	I413 M432 D433 E438 V439 L440 I457	I413-R436 HydrophobicContact CD1-CB 4.46Å; I413-R436 HydrophobicContact CD1-CG 3.81Å; I413-R436 HydrophobicContact CG1-CG 4.05Å; I413-R436 HydrophobicContact CG2-CG 4.18Å; M432-R436 WeakPolarHBondContact O-CG 3.4Å; M432-R436 PolarHBondContact O-N 2.66Å; D433-R436 WeakPolarHBondContact O-CB 3.46Å; D433-R436 PolarHBondContact O-N 3.44Å; D433-R436 VanDerWaalsContact O-N 3.09Å; D433-R436 IonicContact OD1-NH1 2.95Å; D433-R436 PolarHBondContact OD1-NH1 3.04Å; D433-R436 VanDerWaalsContact OD1-NH1 3.07Å; R436-E438 PolarHBondContact O-N 3.44Å; R436-V439 PolarHBondContact O-N 2.96Å; R436-L440 WeakPolarHBondContact O-CB 3.32Å; R436-L440 VanDerWaalsContact O-CG 3.23Å; R436-L440 WeakPolarHBondContact O-CG 3.26Å; R436-L440 PolarHBondContact O-N 3Å; R436-I457 HydrophobicContact CB-CG2 3.96Å; R436-I457 HydrophobicContact CG-CG2 3.97Å
437	E	96.6	Very high	95.7	Very high	134 Å²	134	53.2 Å²	53.2	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-57.6	-46.6	178.2	-70.3	179.2	171.6	0	0	112.2	D433 R434 V439 L440 A441	D433-E437 WeakPolarHBondContact O-CG 3.49Å; D433-E437 PolarHBondContact O-N 3.12Å; R434-E437 PolarHBondContact O-N 2.91Å; E437-V439 PolarHBondContact O-N 3.48Å; E437-L440 PolarHBondContact O-N 3.26Å; E437-A441 WeakPolarHBondContact O-CB 3.18Å; E437-A441 PolarHBondContact O-N 3.28Å
438	E	96.5	Very high	95.7	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-43.6	179	-72.8	175	167	0	0	112.4	K409 R434 Y435 R436 A441 I442	K409-E438 WeakPolarHBondContact CD-OE2 3.32Å; K409-E438 WeakPolarHBondContact CE-OE2 3.29Å; K409-E438 IonicContact NZ-OE1 3.85Å; K409-E438 IonicContact NZ-OE2 2.61Å; K409-E438 PolarHBondContact NZ-OE2 2.99Å; R434-E438 WeakPolarHBondContact O-CG 3.49Å; R434-E438 PolarHBondContact O-N 3.21Å; Y435-E438 PolarHBondContact O-N 2.98Å; R436-E438 PolarHBondContact O-N 3.44Å; E438-A441 PolarHBondContact O-N 2.88Å; E438-I442 WeakPolarHBondContact O-CG1 3.46Å; E438-I442 PolarHBondContact O-N 3.16Å; E438-I442 VanDerWaalsContact O-N 3.15Å
439	V	96.6	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-42.3	177.6	-179.2	0	0	0	0	110.4	L290 I406 L410 I413 Y435 R436 E437 A441 I442 L443 I457	L290-V439 HydrophobicContact CD1-CG1 4.23Å; I406-V439 HydrophobicContact CG2-CG2 4.1Å; L410-V439 HydrophobicContact CD1-CG1 4.38Å; L410-V439 HydrophobicContact CD2-CG1 4.07Å; L410-V439 HydrophobicContact CD2-CG2 4.22Å; L410-V439 HydrophobicContact CG-CG1 4.27Å; L410-V439 HydrophobicContact CG-CG2 4.06Å; I413-V439 HydrophobicContact CD1-CG2 4.39Å; Y435-V439 WeakPolarHBondContact O-CG2 3.19Å; Y435-V439 PolarHBondContact O-N 3.22Å; R436-V439 PolarHBondContact O-N 2.96Å; E437-V439 PolarHBondContact O-N 3.48Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-A441 PolarHBondContact O-N 3.49Å; V439-I442 WeakPolarHBondContact O-CB 3.3Å; V439-I442 PolarHBondContact O-N 2.8Å; V439-L443 HydrophobicContact CG1-CD1 4.31Å; V439-L443 HydrophobicContact CG1-CG 4.45Å; V439-L443 WeakPolarHBondContact O-CG 3.46Å; V439-L443 PolarHBondContact O-N 3.48Å; V439-I457 HydrophobicContact CB-CD1 4.12Å; V439-I457 HydrophobicContact CG1-CD1 3.42Å; V439-I457 VanDerWaalsContact CG1-CD1 3.42Å
440	L	96.5	Very high	95.6	Very high	52 Å²	52	47 Å²	47	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-39.9	176.8	-72.2	171.5	0	0	0	111.8	R436 E437 I442 L443 H444 K454 I457 T458	R436-L440 WeakPolarHBondContact O-CB 3.32Å; R436-L440 VanDerWaalsContact O-CG 3.23Å; R436-L440 WeakPolarHBondContact O-CG 3.26Å; R436-L440 PolarHBondContact O-N 3Å; E437-L440 PolarHBondContact O-N 3.26Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 3.08Å; L440-L443 PolarHBondContact O-N 3.38Å; L440-H444 WeakPolarHBondContact O-CB 3.39Å; L440-H444 PolarHBondContact O-N 2.84Å; L440-K454 HydrophobicContact CD2-CG 3.91Å; L440-I457 HydrophobicContact CD1-CG2 4.21Å; L440-I457 HydrophobicContact CD2-CB 4.44Å; L440-I457 HydrophobicContact CD2-CG2 4.09Å; L440-I457 HydrophobicContact CG-CG2 3.95Å; L440-T458 HydrophobicContact CD1-CG2 4.31Å; L440-T458 HydrophobicContact CD2-CG2 4.17Å
441	A	96.9	Very high	95.5	Very high	51 Å²	51	45.7 Å²	45.7	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-38.1	175.1	0	0	0	0	0	112.1	E437 E438 V439 K445	E437-A441 WeakPolarHBondContact O-CB 3.18Å; E437-A441 PolarHBondContact O-N 3.28Å; E438-A441 PolarHBondContact O-N 2.88Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-A441 PolarHBondContact O-N 3.49Å; A441-K445 WeakPolarHBondContact O-CG 3.32Å; A441-K445 PolarHBondContact O-N 3.01Å; A441-K445 VanDerWaalsContact O-N 3.12Å
442	I	96.9	Very high	95.2	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-46.7	173.4	-69.4	173.5	0	0	0	110.7	L290 T321 L323 I406 E438 V439 L440 H444 K445 L446	L290-I442 HydrophobicContact CD2-CG2 3.71Å; T321-I442 HydrophobicContact CG2-CG2 4.05Å; L323-I442 HydrophobicContact CD1-CG2 4.24Å; L323-I442 HydrophobicContact CD2-CD1 4.33Å; L323-I442 HydrophobicContact CD2-CG2 4.17Å; L323-I442 HydrophobicContact CG-CG2 4.43Å; I406-I442 HydrophobicContact CD1-CD1 3.37Å; I406-I442 HydrophobicContact CG1-CD1 3.53Å; I406-I442 HydrophobicContact CG2-CD1 4.28Å; E438-I442 WeakPolarHBondContact O-CG1 3.46Å; E438-I442 PolarHBondContact O-N 3.16Å; E438-I442 VanDerWaalsContact O-N 3.15Å; V439-I442 WeakPolarHBondContact O-CB 3.3Å; V439-I442 PolarHBondContact O-N 2.8Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 3.08Å; I442-H444 VanDerWaalsContact C-N 3.27Å; I442-H444 PolarHBondContact O-N 2.87Å; I442-K445 PolarHBondContact O-N 2.92Å; I442-L446 HydrophobicContact CG2-CD1 4.04Å; I442-L446 HydrophobicContact CG2-CG 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.36Å; I442-L446 PolarHBondContact O-N 3.43Å
443	L	96.2	Very high	95.2	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-38.8	178.3	-69.2	176.3	0	0	0	112.2	I289 L290 V439 L440 L446 G447 A448 L453 K454 I457	I289-L443 HydrophobicContact CD1-CD2 4.47Å; I289-L443 HydrophobicContact CG2-CD2 3.78Å; L290-L443 HydrophobicContact CD2-CD2 3.96Å; V439-L443 HydrophobicContact CG1-CD1 4.31Å; V439-L443 HydrophobicContact CG1-CG 4.45Å; V439-L443 WeakPolarHBondContact O-CG 3.46Å; V439-L443 PolarHBondContact O-N 3.48Å; L440-L443 PolarHBondContact O-N 3.38Å; L443-L446 PolarHBondContact O-N 3.16Å; L443-G447 PolarHBondContact O-N 3.08Å; L443-A448 HydrophobicContact CB-CB 4.09Å; L443-A448 HydrophobicContact CD2-CB 4.02Å; L443-A448 VanDerWaalsContact O-CB 3.29Å; L443-A448 WeakPolarHBondContact O-CB 3.46Å; L443-A448 PolarHBondContact O-N 3.02Å; L443-L453 HydrophobicContact CD1-CD2 4.36Å; L443-L453 HydrophobicContact CD1-CG 4.15Å; L443-L453 HydrophobicContact CD2-CD2 4.1Å; L443-K454 HydrophobicContact CD1-CB 4.28Å; L443-I457 HydrophobicContact CD1-CD1 4.02Å
444	H	96.1	Very high	95.1	Very high	158 Å²	158	45.5 Å²	45.5	73%	0.731	23%	0.234	S	C	*	.	H	α-helix	trans	-60.6	-50.1	174	177.4	-93.3	0	0	0	111.6	L440 I442 L446 G447	L440-H444 WeakPolarHBondContact O-CB 3.39Å; L440-H444 PolarHBondContact O-N 2.84Å; I442-H444 VanDerWaalsContact C-N 3.27Å; I442-H444 PolarHBondContact O-N 2.87Å; H444-L446 VanDerWaalsContact C-N 3.28Å; H444-L446 PolarHBondContact O-N 3.31Å; H444-G447 PolarHBondContact O-N 3Å
445	K	96.7	Very high	94.8	Very high	106 Å²	106	43.1 Å²	43.1	46%	0.461	23%	0.226	S	C	.	.	H	α-helix	trans	-59.6	-36.8	176.3	-75.2	179.2	174.6	-173.2	0	113	N319 G320 T321 A441 I442 G447	N319-K445 WeakPolarHBondContact CB-O 3.41Å; N319-K445 PolarHBondContact ND2-O 3.22Å; G320-K445 PolarHBondContact O-NZ 3.4Å; T321-K445 HydrophobicContact CG2-CB 3.53Å; T321-K445 HydrophobicContact CG2-CD 4.06Å; T321-K445 HydrophobicContact CG2-CG 4.48Å; A441-K445 WeakPolarHBondContact O-CG 3.32Å; A441-K445 PolarHBondContact O-N 3.01Å; A441-K445 VanDerWaalsContact O-N 3.12Å; I442-K445 PolarHBondContact O-N 2.92Å; K445-G447 PolarHBondContact O-N 3.14Å
446	L	95.7	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.1	174.9	-66.6	179.5	0	0	0	113.5	T255 I289 L290 T321 L323 I442 L443 H444 A448	T255-L446 WeakPolarHBondContact CB-O 3.15Å; T255-L446 WeakPolarHBondContact CG2-O 3.36Å; I289-L446 HydrophobicContact CG1-CD1 4.1Å; I289-L446 WeakPolarHBondContact O-CD1 3.39Å; L290-L446 HydrophobicContact CD2-CD1 4.36Å; T321-L446 HydrophobicContact CG2-CD2 3.74Å; T321-L446 HydrophobicContact CG2-CG 3.9Å; L323-L446 HydrophobicContact CD1-CD1 4.14Å; L323-L446 HydrophobicContact CD1-CD2 4.34Å; I442-L446 HydrophobicContact CG2-CD1 4.04Å; I442-L446 HydrophobicContact CG2-CG 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.36Å; I442-L446 PolarHBondContact O-N 3.43Å; L443-L446 PolarHBondContact O-N 3.16Å; H444-L446 VanDerWaalsContact C-N 3.28Å; H444-L446 PolarHBondContact O-N 3.31Å; L446-A448 PolarHBondContact O-N 2.86Å
447	G	94.2	Very high	94.1	Very high	32 Å²	32	42.5 Å²	42.5	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	35.4	-174.3	0	0	0	0	0	112	L443 H444 K445 G449	L443-G447 PolarHBondContact O-N 3.08Å; H444-G447 PolarHBondContact O-N 3Å; K445-G447 PolarHBondContact O-N 3.14Å; G447-G449 PolarHBondContact O-N 3.31Å
448	A	94.1	Very high	93.7	Very high	2 Å²	2	39 Å²	39	2%	0.017	22%	0.215	C	C	.	.			trans	-72.3	-15.7	-175	0	0	0	0	0	113.8	I289 L443 L446 C451	I289-A448 HydrophobicContact CD1-CB 3.46Å; I289-A448 VanDerWaalsContact CD1-CB 3.46Å; L443-A448 HydrophobicContact CB-CB 4.09Å; L443-A448 HydrophobicContact CD2-CB 4.02Å; L443-A448 VanDerWaalsContact O-CB 3.29Å; L443-A448 WeakPolarHBondContact O-CB 3.46Å; L443-A448 PolarHBondContact O-N 3.02Å; L446-A448 PolarHBondContact O-N 2.86Å; A448-C451 VanDerWaalsContact O-CB 3.31Å; A448-C451 WeakPolarHBondContact O-CB 3.35Å; A448-C451 PolarHBondContact O-N 3.48Å
449	G	93.2	Very high	92.9	Very high	28 Å²	28	38.8 Å²	38.8	29%	0.289	23%	0.228	S	C	.	.			trans	53.5	-143.6	177.2	0	0	0	0	0	113.9	A273 G447 C451 K454	A273-G449 CarbonylContact O-C 3.55Å; A273-G449 WeakPolarHBondContact O-CA 3.48Å; G447-G449 PolarHBondContact O-N 3.31Å; G449-C451 PolarHBondContact O-N 3.3Å; G449-K454 VanDerWaalsContact O-CD 3.23Å; G449-K454 WeakPolarHBondContact O-CD 3.44Å
450	E	92.3	Very high	92.1	Very high	59 Å²	59	44 Å²	44	28%	0.276	25%	0.253	S	S	.	.	S	Bend	trans	-77.4	44.4	179.2	-59.3	-48.5	133.4	0	0	113.6	A273 K454 K455	A273-E450 PolarHBondContact O-N 3.3Å; E450-K454 VanDerWaalsContact CD-NZ 3.32Å; E450-K454 IonicContact OE1-NZ 3.17Å; E450-K454 PolarHBondContact OE1-NZ 3.35Å; E450-K454 IonicContact OE2-NZ 3.3Å; E450-K454 PolarHBondContact OE2-NZ 3.05Å; E450-K455 WeakPolarHBondContact O-CE 3.4Å
451	C	92.9	Very high	91	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.081	26%	0.255	C	S	.	.			trans	-71.9	155.6	178.3	68.5	0	0	0	0	113.2	S259 A448 G449 L453 K454 K455	S259-C451 WeakPolarHBondContact OG-CA 3.24Å; A448-C451 VanDerWaalsContact O-CB 3.31Å; A448-C451 WeakPolarHBondContact O-CB 3.35Å; A448-C451 PolarHBondContact O-N 3.48Å; G449-C451 PolarHBondContact O-N 3.3Å; C451-L453 PolarHBondContact O-N 2.87Å; C451-L453 VanDerWaalsContact O-N 3.14Å; C451-K454 WeakPolarHBondContact O-CB 3.13Å; C451-K454 PolarHBondContact O-N 3.29Å; C451-K455 PolarHBondContact O-N 3.35Å
452	T	90.3	Very high	89.2	Confident	32 Å²	32	53.4 Å²	53.4	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-36.4	179.9	-54.4	0	0	0	0	112.5	S259 H260 K455 L456 I461	S259-T452 PolarHBondContact OG-N 3.4Å; S259-T452 PolarHBondContact OG-OG1 2.88Å; H260-T452 PolarHBondContact O-OG1 3.39Å; H260-T452 VanDerWaalsContact O-OG1 3.07Å; T452-K455 PolarHBondContact O-N 3.14Å; T452-L456 HydrophobicContact CG2-CD1 4.14Å; T452-L456 WeakPolarHBondContact O-CG 3.29Å; T452-L456 PolarHBondContact O-N 3.19Å; T452-I461 HydrophobicContact CG2-CD1 3.8Å
453	L	92.6	Very high	88.8	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-40.4	178.8	-179.2	56.5	0	0	0	112.3	M1 I289 L290 L410 W414 L443 C451 L456 I457	M1-L453 HydrophobicContact CE-CD1 3.91Å; M1-L453 HydrophobicContact CE-CD2 4.07Å; M1-L453 HydrophobicContact CE-CG 4.44Å; I289-L453 HydrophobicContact CG2-CD2 3.8Å; L290-L453 HydrophobicContact CD1-CD2 3.72Å; L290-L453 HydrophobicContact CG-CD2 4.07Å; L410-L453 HydrophobicContact CD1-CD1 4.49Å; L410-L453 HydrophobicContact CD2-CD1 4.34Å; W414-L453 HydrophobicContact CH2-CD1 4.42Å; W414-L453 HydrophobicContact CZ2-CD1 3.77Å; L443-L453 HydrophobicContact CD1-CD2 4.36Å; L443-L453 HydrophobicContact CD1-CG 4.15Å; L443-L453 HydrophobicContact CD2-CD2 4.1Å; C451-L453 PolarHBondContact O-N 2.87Å; C451-L453 VanDerWaalsContact O-N 3.14Å; L453-L456 PolarHBondContact O-N 3.04Å; L453-I457 HydrophobicContact CD1-CD1 3.97Å; L453-I457 HydrophobicContact CD1-CG1 4.26Å; L453-I457 HydrophobicContact CG-CD1 3.95Å; L453-I457 WeakPolarHBondContact O-CD1 3.34Å; L453-I457 VanDerWaalsContact O-CG1 3.26Å; L453-I457 WeakPolarHBondContact O-CG1 3.3Å; L453-I457 PolarHBondContact O-N 2.69Å; L453-I457 VanDerWaalsContact O-N 3.11Å
454	K	93.6	Very high	88.4	Confident	56 Å²	56	58.1 Å²	58.1	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-50.4	175	179.4	-173.4	171.2	-167	0	109.9	L440 L443 G449 E450 C451 L456 I457 T458	L440-K454 HydrophobicContact CD2-CG 3.91Å; L443-K454 HydrophobicContact CD1-CB 4.28Å; G449-K454 VanDerWaalsContact O-CD 3.23Å; G449-K454 WeakPolarHBondContact O-CD 3.44Å; E450-K454 VanDerWaalsContact CD-NZ 3.32Å; E450-K454 IonicContact OE1-NZ 3.17Å; E450-K454 PolarHBondContact OE1-NZ 3.35Å; E450-K454 IonicContact OE2-NZ 3.3Å; E450-K454 PolarHBondContact OE2-NZ 3.05Å; C451-K454 WeakPolarHBondContact O-CB 3.13Å; C451-K454 PolarHBondContact O-N 3.29Å; K454-L456 VanDerWaalsContact C-N 3.31Å; K454-L456 PolarHBondContact O-N 2.65Å; K454-I457 PolarHBondContact O-N 3.15Å; K454-T458 HydrophobicContact CG-CG2 4.43Å; K454-T458 PolarHBondContact O-N 3.07Å; K454-T458 PolarHBondContact O-OG1 3.25Å; K454-T458 VanDerWaalsContact O-OG1 3.08Å
455	K	89.7	Confident	88	Confident	42 Å²	42	52.6 Å²	52.6	18%	0.183	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-38.9	-179.1	-61.5	-171.5	175.9	-173.5	0	113.3	E450 C451 T452 T458 G459 E460 I461	E450-K455 WeakPolarHBondContact O-CE 3.4Å; C451-K455 PolarHBondContact O-N 3.35Å; T452-K455 PolarHBondContact O-N 3.14Å; K455-T458 WeakPolarHBondContact CA-OG1 3.47Å; K455-T458 PolarHBondContact O-OG1 3.32Å; K455-G459 PolarHBondContact O-N 2.94Å; K455-G459 VanDerWaalsContact O-N 3.1Å; K455-E460 HydrophobicContact CB-CB 4.09Å; K455-E460 PolarHBondContact O-N 3.25Å; K455-I461 HydrophobicContact CB-CD1 3.62Å; K455-I461 HydrophobicContact CB-CG1 3.65Å; K455-I461 HydrophobicContact CB-CG2 4.46Å; K455-I461 HydrophobicContact CD-CD1 4.43Å; K455-I461 PolarHBondContact O-N 3.09Å
456	L	88.7	Confident	87.5	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-38.3	175	-72.3	164.3	0	0	0	111.8	W414 T452 L453 K454 G459 I461	W414-L456 HydrophobicContact CH2-CB 3.31Å; W414-L456 HydrophobicContact CH2-CD1 4.48Å; W414-L456 HydrophobicContact CH2-CG 4.43Å; W414-L456 HydrophobicContact CZ2-CB 4.25Å; W414-L456 HydrophobicContact CZ3-CB 3.76Å; W414-L456 WeakPolarHBondContact CZ3-O 2.99Å; T452-L456 HydrophobicContact CG2-CD1 4.14Å; T452-L456 WeakPolarHBondContact O-CG 3.29Å; T452-L456 PolarHBondContact O-N 3.19Å; L453-L456 PolarHBondContact O-N 3.04Å; K454-L456 VanDerWaalsContact C-N 3.31Å; K454-L456 PolarHBondContact O-N 2.65Å; L456-G459 PolarHBondContact O-N 3.42Å; L456-I461 HydrophobicContact CD2-CD1 4.26Å; L456-I461 HydrophobicContact CD2-CG1 3.82Å; L456-I461 HydrophobicContact CG-CD1 4.02Å; L456-I461 HydrophobicContact CG-CG1 3.88Å
457	I	90.7	Very high	87	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-37.5	179.5	-68.1	166.5	0	0	0	111.1	L410 W414 R436 V439 L440 L443 L453 K454 G459	L410-I457 HydrophobicContact CD2-CD1 3.75Å; L410-I457 HydrophobicContact CD2-CG1 3.98Å; W414-I457 HydrophobicContact CH2-CG1 3.81Å; W414-I457 HydrophobicContact CZ2-CG1 4.13Å; R436-I457 HydrophobicContact CB-CG2 3.96Å; R436-I457 HydrophobicContact CG-CG2 3.97Å; V439-I457 HydrophobicContact CB-CD1 4.12Å; V439-I457 HydrophobicContact CG1-CD1 3.42Å; V439-I457 VanDerWaalsContact CG1-CD1 3.42Å; L440-I457 HydrophobicContact CD1-CG2 4.21Å; L440-I457 HydrophobicContact CD2-CB 4.44Å; L440-I457 HydrophobicContact CD2-CG2 4.09Å; L440-I457 HydrophobicContact CG-CG2 3.95Å; L443-I457 HydrophobicContact CD1-CD1 4.02Å; L453-I457 HydrophobicContact CD1-CD1 3.97Å; L453-I457 HydrophobicContact CD1-CG1 4.26Å; L453-I457 HydrophobicContact CG-CD1 3.95Å; L453-I457 WeakPolarHBondContact O-CD1 3.34Å; L453-I457 VanDerWaalsContact O-CG1 3.26Å; L453-I457 WeakPolarHBondContact O-CG1 3.3Å; L453-I457 PolarHBondContact O-N 2.69Å; L453-I457 VanDerWaalsContact O-N 3.11Å; K454-I457 PolarHBondContact O-N 3.15Å; I457-G459 VanDerWaalsContact C-N 3.28Å
458	T	87.7	Confident	86.5	Confident	61 Å²	61	53.9 Å²	53.9	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-81.2	-5.7	178.5	54.9	0	0	0	0	113.5	L440 K454 K455 E460	L440-T458 HydrophobicContact CD1-CG2 4.31Å; L440-T458 HydrophobicContact CD2-CG2 4.17Å; K454-T458 HydrophobicContact CG-CG2 4.43Å; K454-T458 PolarHBondContact O-N 3.07Å; K454-T458 PolarHBondContact O-OG1 3.25Å; K454-T458 VanDerWaalsContact O-OG1 3.08Å; K455-T458 WeakPolarHBondContact CA-OG1 3.47Å; K455-T458 PolarHBondContact O-OG1 3.32Å; T458-E460 VanDerWaalsContact C-N 3.26Å; T458-E460 PolarHBondContact O-N 3.28Å; T458-E460 WeakPolarHBondContact OG1-CG 3.44Å; T458-E460 PolarHBondContact OG1-OE1 3.11Å
459	G	80.5	Confident	86	Confident	54 Å²	54	57.6 Å²	57.6	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	13.5	-179.3	0	0	0	0	0	114.3	K455 L456 I457 I461	K455-G459 PolarHBondContact O-N 2.94Å; K455-G459 VanDerWaalsContact O-N 3.1Å; L456-G459 PolarHBondContact O-N 3.42Å; I457-G459 VanDerWaalsContact C-N 3.28Å; G459-I461 PolarHBondContact O-N 3.26Å
460	E	78.2	Confident	85.4	Confident	109 Å²	109	59.8 Å²	59.8	51%	0.509	32%	0.317	S	S	.	.	S	Bend	trans	-68	-25.8	174.7	-72	168.1	-132.6	0	0	112.3	K455 T458	K455-E460 HydrophobicContact CB-CB 4.09Å; K455-E460 PolarHBondContact O-N 3.25Å; T458-E460 VanDerWaalsContact C-N 3.26Å; T458-E460 PolarHBondContact O-N 3.28Å; T458-E460 WeakPolarHBondContact OG1-CG 3.44Å; T458-E460 PolarHBondContact OG1-OE1 3.11Å
461	I	74.1	Confident	84.9	Confident	62 Å²	62	59.9 Å²	59.9	32%	0.318	32%	0.321	S	S	.	.			trans	-138.8	151.2	173.9	64.7	-178	0	0	0	109.3	T452 K455 L456 G459	T452-I461 HydrophobicContact CG2-CD1 3.8Å; K455-I461 HydrophobicContact CB-CD1 3.62Å; K455-I461 HydrophobicContact CB-CG1 3.65Å; K455-I461 HydrophobicContact CB-CG2 4.46Å; K455-I461 HydrophobicContact CD-CD1 4.43Å; K455-I461 PolarHBondContact O-N 3.09Å; L456-I461 HydrophobicContact CD2-CD1 4.26Å; L456-I461 HydrophobicContact CD2-CG1 3.82Å; L456-I461 HydrophobicContact CG-CD1 4.02Å; L456-I461 HydrophobicContact CG-CG1 3.88Å; G459-I461 PolarHBondContact O-N 3.26Å
462	Q	59.2	Low	84.1	Confident	239 Å²	239	64.3 Å²	64.3	100%	1.117	34%	0.343	S	S	*	.			trans	-109.6	0	-178	-69.1	-175	-13.1	0	0	113

Retrieved 462 of 462 residues in 90.7 ms (Link to these results)

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