A0A087YEE1_POEFO Loading...

6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession A0A087YEE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	28	Very low	249 Å²	249	146.7 Å²	146.7	100%	1.227	84%	0.844	S	S	*	*				0	118.2	0	-79.6	174.1	169.9	0	0	107.8
2	S	30.1	Very low	28	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	85%	0.846	S	S	*	*			trans	-64.6	143.7	174.8	52.2	0	0	0	0	111.7
3	C	25.4	Very low	27.7	Very low	118 Å²	118	147.8 Å²	147.8	80%	0.797	85%	0.849	S	S	*	*			trans	-168.1	110.6	133.5	-126.1	0	0	0	0	112.1
4	T	29.4	Very low	27.7	Very low	125 Å²	125	145.3 Å²	145.3	77%	0.767	85%	0.845	S	S	*	*			trans	9.8	132.8	146.3	47.8	0	0	0	0	121.1
5	Q	27.5	Very low	27.7	Very low	203 Å²	203	144.9 Å²	144.9	95%	0.949	85%	0.845	S	S	*	*			trans	-146.9	126.6	131.7	-112.8	167.2	-0.2	0	0	110.5
6	R	27.7	Very low	27.8	Very low	220 Å²	220	147.3 Å²	147.3	83%	0.83	85%	0.846	S	S	*	*			trans	-102.5	146.4	173.5	-98.3	-172.4	-170.8	172.2	1.6	109.3
7	D	25.2	Very low	27.8	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	84%	0.843	S	S	*	*			trans	58.8	146.7	152.7	-49.8	-33.5	0	0	0	117
8	I	28.6	Very low	27.8	Very low	169 Å²	169	147.2 Å²	147.2	87%	0.867	84%	0.843	S	S	*	*			cis	-156.2	143.6	36.1	-66.7	166.9	0	0	0	107.3
9	G	25.3	Very low	27.8	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	85%	0.848	S	S	*	*			trans	-93.1	-174.3	-167.3	0	0	0	0	0	118.5
10	A	24.1	Very low	27.7	Very low	90 Å²	90	151.3 Å²	151.3	74%	0.744	85%	0.845	S	S	*	*			trans	-168.8	118.7	148.9	0	0	0	0	0	110.7
11	S	30.1	Very low	27.7	Very low	115 Å²	115	148.8 Å²	148.8	80%	0.804	83%	0.83	S	S	*	*			trans	23.3	114.6	151.6	62.9	0	0	0	0	120.6
12	T	27.4	Very low	27.4	Very low	143 Å²	143	142.9 Å²	142.9	88%	0.877	81%	0.811	S	S	*	*			trans	-141.8	114.5	142.9	36.7	0	0	0	0	110.1	S14	T12-S14 PolarHBondContact O-N 3.41Å
13	N	24.8	Very low	27.5	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	81%	0.806	S	S	*	*			trans	-68.9	114.4	170.7	-83	-22.8	0	0	0	109.3	T15	N13-T15 PolarHBondContact O-N 3.43Å
14	S	27.2	Very low	27.5	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	80%	0.797	S	S	*	*			trans	-76.7	105.7	167	51.9	0	0	0	0	109.7	T12 E16	T12-S14 PolarHBondContact O-N 3.41Å; S14-E16 PolarHBondContact O-N 3.35Å; S14-E16 VanDerWaalsContact O-N 3.17Å
15	T	28.1	Very low	27.5	Very low	139 Å²	139	146 Å²	146	85%	0.853	80%	0.798	S	S	*	*			trans	-76.6	90.7	168	21.6	0	0	0	0	108.8	N13 A17	N13-T15 PolarHBondContact O-N 3.43Å; T15-A17 PolarHBondContact O-N 2.73Å
16	E	28.4	Very low	28.3	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	78%	0.783	S	S	*	*			trans	-72.7	104.3	160	-89.9	-174	153.4	0	0	108.6	S14 K18	S14-E16 PolarHBondContact O-N 3.35Å; S14-E16 VanDerWaalsContact O-N 3.17Å; E16-K18 PolarHBondContact O-N 2.71Å
17	A	28.2	Very low	29.5	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	78%	0.78	S	S	*	*			trans	-63.4	101.9	171.4	0	0	0	0	0	109.7	T15 R19	T15-A17 PolarHBondContact O-N 2.73Å; A17-R19 PolarHBondContact O-N 3.21Å
18	K	28.5	Very low	31.5	Very low	197 Å²	197	139.5 Å²	139.5	86%	0.857	77%	0.768	S	S	*	*			trans	-59	106.9	162.2	-83.4	-179.6	175.6	176.9	0	108.2	E16 T20	E16-K18 PolarHBondContact O-N 2.71Å; K18-T20 PolarHBondContact O-N 3.28Å
19	R	26.9	Very low	33.8	Very low	249 Å²	249	132.8 Å²	132.8	94%	0.94	74%	0.735	S	S	*	*			trans	-56	106.7	161.9	-87.9	-179.9	171.8	175.5	-2.2	108	A17 D21	A17-R19 PolarHBondContact O-N 3.21Å; R19-D21 PolarHBondContact O-N 3.5Å
20	T	27.1	Very low	36.3	Very low	127 Å²	127	129.4 Å²	129.4	78%	0.779	70%	0.7	S	S	*	*			trans	-72.2	113.1	166.3	35.1	0	0	0	0	108.3	K18 P22	K18-T20 PolarHBondContact O-N 3.28Å; T20-P22 WeakPolarHBondContact O-CD 3.41Å
21	D	25.9	Very low	38.9	Very low	99 Å²	99	129.4 Å²	129.4	53%	0.529	68%	0.681	S	S	.	*			trans	-65.5	120.6	170.8	-164.5	-9.8	0	0	0	108.2	R19 R23	R19-D21 PolarHBondContact O-N 3.5Å; D21-R23 PolarHBondContact O-N 2.8Å; D21-R23 IonicContact OD1-CZ 2.65Å; D21-R23 IonicContact OD1-NE 2.91Å; D21-R23 PolarHBondContact OD1-NE 2.78Å; D21-R23 VanDerWaalsContact OD1-NE 3.07Å; D21-R23 IonicContact OD1-NH2 3.78Å; D21-R23 PolarHBondContact OD1-NH2 3.32Å; D21-R23 IonicContact OD2-NE 3.47Å; D21-R23 IonicContact OD2-NH2 3.85Å
22	P	29	Very low	40.8	Very low	126 Å²	126	124.2 Å²	124.2	82%	0.818	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	5.3	-174.3	-16.2	29.7	0	0	0	114.9	T20	T20-P22 WeakPolarHBondContact O-CD 3.41Å
23	R	31.6	Very low	43.3	Very low	189 Å²	189	117.9 Å²	117.9	71%	0.713	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	10.4	-168.5	-76.9	-179.2	-81.2	-168.3	-5.9	115.6	D21 N25	D21-R23 PolarHBondContact O-N 2.8Å; D21-R23 IonicContact OD1-CZ 2.65Å; D21-R23 IonicContact OD1-NE 2.91Å; D21-R23 PolarHBondContact OD1-NE 2.78Å; D21-R23 VanDerWaalsContact OD1-NE 3.07Å; D21-R23 IonicContact OD1-NH2 3.78Å; D21-R23 PolarHBondContact OD1-NH2 3.32Å; D21-R23 IonicContact OD2-NE 3.47Å; D21-R23 IonicContact OD2-NH2 3.85Å; R23-N25 PolarHBondContact O-N 2.91Å
24	C	26.7	Very low	45.8	Very low	91 Å²	91	116.3 Å²	116.3	62%	0.615	59%	0.589	S	S	*	*	S	Bend	trans	-93.1	25.7	-170.4	-131.3	0	0	0	0	115.5	H462	C24-H462 PolarHBondContact O-NE2 3.49Å
25	N	30	Very low	48.3	Very low	144 Å²	144	113.9 Å²	113.9	77%	0.77	57%	0.566	S	S	*	*			trans	-146.7	49.9	178.8	-130	4.5	0	0	0	112.4	R23 K27	R23-N25 PolarHBondContact O-N 2.91Å; N25-K27 PolarHBondContact O-N 2.98Å; N25-K27 VanDerWaalsContact O-N 3.11Å
26	E	43.6	Very low	50.7	Low	137 Å²	137	108 Å²	108	64%	0.64	53%	0.53	S	S	*	.			trans	-63.7	111.2	168.1	-79.3	179.5	168.6	0	0	108.8	K28	E26-K28 PolarHBondContact O-N 3.11Å
27	K	53.3	Low	53	Low	177 Å²	177	105.8 Å²	105.8	77%	0.77	52%	0.524	S	S	*	.			trans	-56.9	125.3	171.4	-72.2	-178.1	177.5	-179.7	0	108	N25 C29	N25-K27 PolarHBondContact O-N 2.98Å; N25-K27 VanDerWaalsContact O-N 3.11Å; K27-C29 PolarHBondContact O-N 2.86Å
28	K	66.8	Low	55.9	Low	108 Å²	108	103.3 Å²	103.3	47%	0.47	50%	0.501	S	S	.	.			trans	-57.8	102.9	170.3	-66.8	175.7	176.1	175.3	0	108.1	E26 D355 H358	E26-K28 PolarHBondContact O-N 3.11Å; K28-D355 IonicContact NZ-OD2 3.46Å; K28-D355 PolarHBondContact NZ-OD2 2.79Å; K28-H358 HydrophobicContact CD-CB 4.2Å
29	C	76.3	Confident	59.1	Low	27 Å²	27	95.8 Å²	95.8	18%	0.182	47%	0.472	C	S	.	.			trans	-126.8	154.1	-179.9	67.2	0	0	0	0	110.8	K27 Q368 Y467	K27-C29 PolarHBondContact O-N 2.86Å; C29-Q368 VanDerWaalsContact C-NE2 3.33Å; C29-Q368 PolarHBondContact O-NE2 3.39Å; C29-Y467 PolarHBondContact O-OH 3.19Å
30	S	77.4	Confident	62.4	Low	4 Å²	4	83.9 Å²	83.9	3%	0.028	43%	0.427	C	S	.	.			trans	-71.3	165.5	173.3	71.4	0	0	0	0	110.9	A32 S33 Y34 I66 G67 Q368	S30-A32 VanDerWaalsContact C-N 3.27Å; S30-A32 PolarHBondContact O-N 3.15Å; S30-S33 PolarHBondContact O-N 3.38Å; S30-S33 VanDerWaalsContact O-N 3.15Å; S30-S33 WeakPolarHBondContact OG-CB 3.35Å; S30-S33 PolarHBondContact OG-N 3.03Å; S30-Y34 WeakPolarHBondContact O-CB 3.38Å; S30-Y34 PolarHBondContact O-N 2.87Å; S30-I66 WeakPolarHBondContact CB-O 3.34Å; S30-I66 PolarHBondContact OG-O 3.47Å; S30-G67 WeakPolarHBondContact OG-CA 3.24Å; S30-G67 PolarHBondContact OG-O 2.86Å; S30-Q368 VanDerWaalsContact CA-NE2 3.27Å
31	W	79.1	Confident	65.8	Low	90 Å²	90	77.9 Å²	77.9	34%	0.341	39%	0.39	S	S	.	.	H	α-helix	trans	-56	-42.2	173.9	175.6	-109.2	0	0	0	112.7	S33 Y34 M35 Y467	W31-S33 VanDerWaalsContact C-N 3.33Å; W31-S33 PolarHBondContact O-N 2.79Å; W31-Y34 HydrophobicContact CE3-CD1 4.24Å; W31-Y34 HydrophobicContact CZ3-CD1 4.22Å; W31-Y34 HydrophobicContact CZ3-CE1 4.5Å; W31-Y34 WeakPolarHBondContact O-CB 3.15Å; W31-Y34 PolarHBondContact O-N 2.64Å; W31-M35 HydrophobicContact CD2-CE 4.31Å; W31-M35 HydrophobicContact CD2-CG 4.47Å; W31-M35 HydrophobicContact CE3-CE 4.32Å; W31-M35 HydrophobicContact CH2-CE 3.17Å; W31-M35 HydrophobicContact CZ2-CE 3.08Å; W31-M35 HydrophobicContact CZ3-CE 3.8Å; W31-M35 WeakPolarHBondContact O-CG 3.33Å; W31-M35 PolarHBondContact O-N 2.65Å; W31-Y467 AromaticContact CE3-CD1 3.88Å; W31-Y467 HydrophobicContact CE3-CD1 3.88Å; W31-Y467 HydrophobicContact CE3-CG 4.29Å
32	A	71.5	Confident	69.3	Low	6 Å²	6	73.1 Å²	73.1	5%	0.05	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-38.5	177.8	0	0	0	0	0	112.3	S30 M35 T36 I66 V68 Y234	S30-A32 VanDerWaalsContact C-N 3.27Å; S30-A32 PolarHBondContact O-N 3.15Å; A32-M35 PolarHBondContact O-N 3.24Å; A32-T36 PolarHBondContact O-N 3.3Å; A32-T36 PolarHBondContact O-OG1 2.85Å; A32-I66 HydrophobicContact CB-CB 4.43Å; A32-I66 HydrophobicContact CB-CD1 3.75Å; A32-I66 HydrophobicContact CB-CG1 4.06Å; A32-V68 HydrophobicContact CB-CG2 3.57Å; A32-Y234 HydrophobicContact CB-CE1 4.24Å
33	S	78.9	Confident	72.6	Confident	9 Å²	9	67.1 Å²	67.1	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-69.7	-38.6	175.7	-176.9	0	0	0	0	112.4	S30 W31 M35 T36 G67 Q124	S30-S33 PolarHBondContact O-N 3.38Å; S30-S33 VanDerWaalsContact O-N 3.15Å; S30-S33 WeakPolarHBondContact OG-CB 3.35Å; S30-S33 PolarHBondContact OG-N 3.03Å; W31-S33 VanDerWaalsContact C-N 3.33Å; W31-S33 PolarHBondContact O-N 2.79Å; S33-M35 VanDerWaalsContact C-N 3.27Å; S33-M35 PolarHBondContact O-N 2.92Å; S33-T36 PolarHBondContact O-N 2.64Å; S33-T36 VanDerWaalsContact O-N 3.1Å; S33-G67 WeakPolarHBondContact CB-O 3.4Å; S33-Q124 VanDerWaalsContact OG-CD 3.28Å; S33-Q124 PolarHBondContact OG-NE2 2.88Å; S33-Q124 PolarHBondContact OG-OE1 3.4Å
34	Y	78.1	Confident	75.8	Confident	132 Å²	132	58.2 Å²	58.2	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-38.3	173.7	178.8	-100.1	0	0	0	112.1	S30 W31 T36	S30-Y34 WeakPolarHBondContact O-CB 3.38Å; S30-Y34 PolarHBondContact O-N 2.87Å; W31-Y34 HydrophobicContact CE3-CD1 4.24Å; W31-Y34 HydrophobicContact CZ3-CD1 4.22Å; W31-Y34 HydrophobicContact CZ3-CE1 4.5Å; W31-Y34 WeakPolarHBondContact O-CB 3.15Å; W31-Y34 PolarHBondContact O-N 2.64Å; Y34-T36 VanDerWaalsContact C-N 3.25Å; Y34-T36 PolarHBondContact O-N 2.92Å
35	M	78.8	Confident	79.2	Confident	62 Å²	62	53.9 Å²	53.9	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.3	177.6	-71.9	-66.4	178.9	0	0	114.4	W31 A32 S33 N37 Y234	W31-M35 HydrophobicContact CD2-CE 4.31Å; W31-M35 HydrophobicContact CD2-CG 4.47Å; W31-M35 HydrophobicContact CE3-CE 4.32Å; W31-M35 HydrophobicContact CH2-CE 3.17Å; W31-M35 HydrophobicContact CZ2-CE 3.08Å; W31-M35 HydrophobicContact CZ3-CE 3.8Å; W31-M35 WeakPolarHBondContact O-CG 3.33Å; W31-M35 PolarHBondContact O-N 2.65Å; A32-M35 PolarHBondContact O-N 3.24Å; S33-M35 VanDerWaalsContact C-N 3.27Å; S33-M35 PolarHBondContact O-N 2.92Å; M35-N37 PolarHBondContact O-N 3.3Å; M35-Y234 HydrophobicContact CB-CD1 3.54Å; M35-Y234 HydrophobicContact CB-CE1 4.01Å; M35-Y234 HydrophobicContact CB-CG 4.06Å; M35-Y234 HydrophobicContact CG-CD1 4.18Å; M35-Y234 HydrophobicContact CG-CE1 4.39Å; M35-Y234 HydrophobicContact CG-CG 4.43Å
36	T	78.8	Confident	82.3	Confident	14 Å²	14	47 Å²	47	9%	0.086	23%	0.226	C	C	.	.			trans	-92	89.7	-178.4	-56	0	0	0	0	110	A32 S33 Y34 Q124	A32-T36 PolarHBondContact O-N 3.3Å; A32-T36 PolarHBondContact O-OG1 2.85Å; S33-T36 PolarHBondContact O-N 2.64Å; S33-T36 VanDerWaalsContact O-N 3.1Å; Y34-T36 VanDerWaalsContact C-N 3.25Å; Y34-T36 PolarHBondContact O-N 2.92Å; T36-Q124 HydrophobicContact CG2-CB 4.12Å
37	N	77.6	Confident	84.8	Confident	138 Å²	138	41 Å²	41	74%	0.738	20%	0.198	S	C	*	.			trans	-74.5	-40.3	-171.8	-65.5	-26.1	0	0	0	114.6	M35	M35-N37 PolarHBondContact O-N 3.3Å
38	S	88.3	Confident	86.6	Confident	43 Å²	43	33 Å²	33	30%	0.301	17%	0.165	S	C	.	.	S	Bend	trans	-127.1	140	-178.6	-53	0	0	0	0	109.5	T40	S38-T40 PolarHBondContact O-N 3.33Å; S38-T40 PolarHBondContact O-OG1 2.82Å
39	P	94.9	Very high	87.6	Confident	39 Å²	39	28.3 Å²	28.3	25%	0.253	15%	0.146	S	C	.	.			trans	-54	137.6	176.1	-25.3	34.1	0	0	0	111.6	L118 Q124 F150 K151	P39-L118 HydrophobicContact CB-CB 4.04Å; P39-L118 HydrophobicContact CB-CD1 4.04Å; P39-L118 HydrophobicContact CB-CD2 4.13Å; P39-L118 HydrophobicContact CB-CG 4.29Å; P39-Q124 CarbonylContact C-O 3.52Å; P39-Q124 VanDerWaalsContact CA-O 3.27Å; P39-Q124 WeakPolarHBondContact CA-O 3.44Å; P39-F150 HydrophobicContact CB-CD1 3.93Å; P39-F150 HydrophobicContact CB-CE1 4.3Å; P39-F150 HydrophobicContact CG-CD1 4.33Å; P39-F150 HydrophobicContact CG-CE1 4.48Å; P39-K151 PolarHBondContact O-N 2.97Å
40	T	97.4	Very high	88.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131	-175.5	-60.6	0	0	0	0	110.7	S38 Q124 I125 A126 K151 F153	S38-T40 PolarHBondContact O-N 3.33Å; S38-T40 PolarHBondContact O-OG1 2.82Å; T40-Q124 PolarHBondContact N-O 3.32Å; T40-I125 VanDerWaalsContact O-CA 3.26Å; T40-I125 WeakPolarHBondContact O-CA 3.31Å; T40-A126 PolarHBondContact O-N 3.37Å; T40-K151 HydrophobicContact CG2-CB 4.25Å; T40-F153 HydrophobicContact CG2-CB 4.42Å
41	M	98.1	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.9	171.4	-170	179.6	172.5	0	0	109.6	V43 L111 V114 A126 F128 I141 F144 V145 K151 V152 F153	M41-V43 HydrophobicContact CE-CG2 4.1Å; M41-V43 HydrophobicContact CG-CG2 4.08Å; M41-V43 HydrophobicContact SD-CG2 4.35Å; M41-L111 HydrophobicContact CE-CD2 3.46Å; M41-L111 VanDerWaalsContact CE-CD2 3.46Å; M41-L111 HydrophobicContact SD-CD2 4.25Å; M41-V114 HydrophobicContact SD-CG1 4.32Å; M41-A126 CarbonylContact C-O 3.57Å; M41-A126 WeakPolarHBondContact CA-O 3.01Å; M41-F128 HydrophobicContact CE-CB 3.34Å; M41-F128 HydrophobicContact CE-CD1 3.89Å; M41-F128 HydrophobicContact CE-CD2 3.59Å; M41-F128 HydrophobicContact CE-CE2 4.3Å; M41-F128 HydrophobicContact CE-CG 3.34Å; M41-I141 HydrophobicContact CE-CG2 3.73Å; M41-I141 HydrophobicContact SD-CG2 3.86Å; M41-F144 HydrophobicContact SD-CD1 4.27Å; M41-F144 HydrophobicContact SD-CE1 4.22Å; M41-V145 HydrophobicContact CB-CG2 4.14Å; M41-V145 HydrophobicContact SD-CG2 3.73Å; M41-K151 PolarHBondContact N-O 2.86Å; M41-V152 WeakPolarHBondContact O-CA 3.43Å; M41-F153 PolarHBondContact O-N 3.09Å
42	I	98.6	Very high	89.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.4	171.6	-58.6	179.8	0	0	0	108.1	M44 L59 L63 I125 A126 V127 F128 F153 V155 I239	I42-M44 HydrophobicContact CG2-SD 4.25Å; I42-L59 HydrophobicContact CD1-CD2 3.68Å; I42-L59 HydrophobicContact CG2-CD2 4.47Å; I42-L63 HydrophobicContact CD1-CD1 4.27Å; I42-I125 HydrophobicContact CD1-CG2 3.63Å; I42-I125 HydrophobicContact CG1-CG2 3.82Å; I42-A126 PolarHBondContact N-O 2.9Å; I42-V127 HydrophobicContact CB-CG2 4.24Å; I42-V127 HydrophobicContact CD1-CG2 4.23Å; I42-V127 HydrophobicContact CG2-CG1 4.45Å; I42-V127 CarbonylContact O-C 3.52Å; I42-F128 PolarHBondContact O-N 3.15Å; I42-F153 CarbonylContact C-O 3.53Å; I42-F153 VanDerWaalsContact CA-O 3.27Å; I42-F153 WeakPolarHBondContact CA-O 3.3Å; I42-V155 HydrophobicContact CG2-CG2 3.72Å; I42-I239 HydrophobicContact CD1-CD1 3.5Å; I42-I239 VanDerWaalsContact CD1-CD1 3.5Å; I42-I239 HydrophobicContact CD1-CG1 4.2Å; I42-I239 HydrophobicContact CG1-CD1 4.26Å
43	V	98.6	Very high	90.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113	-175.5	-178.4	0	0	0	0	109.6	M41 N132 I141 V152 F153 F154 V155	M41-V43 HydrophobicContact CE-CG2 4.1Å; M41-V43 HydrophobicContact CG-CG2 4.08Å; M41-V43 HydrophobicContact SD-CG2 4.35Å; V43-N132 HydrophobicContact CG1-CB 4.35Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.46Å; V43-I141 HydrophobicContact CG1-CD1 3.92Å; V43-I141 HydrophobicContact CG2-CG2 3.75Å; V43-V152 HydrophobicContact CG2-CG2 3.74Å; V43-F153 PolarHBondContact N-O 3.41Å; V43-F154 HydrophobicContact CB-CD1 3.51Å; V43-F154 HydrophobicContact CB-CE1 3.79Å; V43-F154 HydrophobicContact CB-CG 4.41Å; V43-F154 HydrophobicContact CG1-CD1 3.71Å; V43-F154 HydrophobicContact CG1-CE1 3.79Å; V43-F154 HydrophobicContact CG2-CD1 4.27Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.5Å; V43-V155 PolarHBondContact O-N 2.7Å
44	M	98.4	Very high	90.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.9	177.8	-54	-56.1	-64.6	0	0	110.5	I42 K52 M55 S56 V127 F128 D129 N132 V155	I42-M44 HydrophobicContact CG2-SD 4.25Å; M44-K52 HydrophobicContact CB-CB 4.41Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.45Å; M44-K52 HydrophobicContact CE-CB 4.31Å; M44-M55 HydrophobicContact CE-CB 4.07Å; M44-M55 HydrophobicContact CE-CE 3.99Å; M44-S56 VanDerWaalsContact CG-OG 3.26Å; M44-S56 WeakPolarHBondContact CG-OG 3.31Å; M44-V127 HydrophobicContact CG-CG1 4.21Å; M44-V127 HydrophobicContact SD-CG1 4.18Å; M44-F128 PolarHBondContact N-O 3.39Å; M44-F128 VanDerWaalsContact N-O 3.08Å; M44-D129 HydrophobicContact CG-CB 4.34Å; M44-N132 WeakPolarHBondContact O-CB 3.34Å; M44-N132 PolarHBondContact O-ND2 2.9Å; M44-V155 CarbonylContact C-O 3.56Å; M44-V155 WeakPolarHBondContact CA-O 3.49Å; M44-V155 HydrophobicContact CE-CB 4.02Å; M44-V155 HydrophobicContact CE-CG1 3.75Å; M44-V155 HydrophobicContact SD-CB 3.86Å; M44-V155 HydrophobicContact SD-CG1 4.22Å; M44-V155 HydrophobicContact SD-CG2 4.49Å
45	I	98.4	Very high	91.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.3	175.7	-57.5	164.2	0	0	0	109.7	T131 N132 R138 F154 V155 E156 S157 Y202 L205	I45-T131 CarbonylContact C-O 3.55Å; I45-T131 WeakPolarHBondContact CA-O 3.41Å; I45-N132 HydrophobicContact CG1-CB 4.1Å; I45-R138 VanDerWaalsContact CD1-CD 3.48Å; I45-F154 HydrophobicContact CD1-CB 3.86Å; I45-F154 HydrophobicContact CD1-CD1 3.6Å; I45-F154 HydrophobicContact CD1-CE1 4.5Å; I45-F154 HydrophobicContact CD1-CG 4.05Å; I45-F154 HydrophobicContact CG1-CD1 4.28Å; I45-V155 PolarHBondContact N-O 3.07Å; I45-E156 HydrophobicContact CB-CB 3.93Å; I45-E156 HydrophobicContact CB-CG 3.93Å; I45-E156 HydrophobicContact CG2-CB 4.35Å; I45-E156 HydrophobicContact CG2-CG 3.84Å; I45-E156 WeakPolarHBondContact O-CA 3.42Å; I45-S157 PolarHBondContact O-N 3.29Å; I45-Y202 HydrophobicContact CG2-CE2 4.32Å; I45-L205 HydrophobicContact CD1-CD1 3.73Å; I45-L205 HydrophobicContact CD1-CD2 3.83Å; I45-L205 HydrophobicContact CD1-CG 3.78Å
46	G	96.5	Very high	92.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	141	168.6	166.2	0	0	0	0	0	113	K52 T131	G46-K52 WeakPolarHBondContact O-CE 3.04Å; G46-K52 PolarHBondContact O-NZ 3.3Å; G46-T131 PolarHBondContact N-O 3.27Å
47	L	95.1	Very high	92.8	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.058	13%	0.125	C	C	.	.			trans	-63.2	159.5	179.8	-63.2	177.1	0	0	0	112.4	R50 K52 T133 I195 K199 Y202	L47-R50 HydrophobicContact CB-CG 4.01Å; L47-R50 WeakPolarHBondContact O-CB 3.39Å; L47-R50 WeakPolarHBondContact O-CG 3.35Å; L47-K52 PolarHBondContact O-NZ 2.88Å; L47-T133 HydrophobicContact CD2-CG2 4.28Å; L47-I195 HydrophobicContact CD1-CG2 4.46Å; L47-K199 HydrophobicContact CD1-CG 3.76Å; L47-K199 HydrophobicContact CD2-CG 4.26Å; L47-Y202 HydrophobicContact CD1-CD1 4.07Å; L47-Y202 HydrophobicContact CD1-CE1 4.29Å; L47-Y202 HydrophobicContact CD2-CD1 3.82Å; L47-Y202 HydrophobicContact CD2-CE1 4.43Å; L47-Y202 HydrophobicContact CD2-CG 3.98Å; L47-Y202 HydrophobicContact CG-CD1 3.82Å; L47-Y202 HydrophobicContact CG-CE1 3.97Å; L47-Y202 HydrophobicContact CG-CG 4.41Å
48	P	91.9	Very high	93.6	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.058	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	153.5	171.3	-22	32.8	0	0	0	112.7	R50 T131 F191 I195 Y198	P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.83Å; P48-R50 PolarHBondContact O-NH1 3.47Å; P48-T131 HydrophobicContact CG-CG2 4.37Å; P48-F191 HydrophobicContact CB-CE1 3.69Å; P48-F191 HydrophobicContact CB-CZ 3.63Å; P48-I195 HydrophobicContact CB-CG1 3.91Å; P48-I195 HydrophobicContact CG-CG1 4.24Å; P48-Y198 HydrophobicContact CG-CD2 3.65Å; P48-Y198 HydrophobicContact CG-CE2 4.02Å; P48-Y198 HydrophobicContact CG-CG 4.31Å
49	A	87.8	Confident	93.9	Very high	9 Å²	9	14.5 Å²	14.5	7%	0.074	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	38.4	-176.4	0	0	0	0	0	115.2	N168 I169 F191 I195	A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 PolarHBondContact O-ND2 3.15Å; A49-I169 HydrophobicContact CB-CD1 4.31Å; A49-I169 HydrophobicContact CB-CG1 3.57Å; A49-F191 HydrophobicContact CB-CD1 4.41Å; A49-F191 HydrophobicContact CB-CE1 3.58Å; A49-F191 HydrophobicContact CB-CZ 4.3Å; A49-I195 HydrophobicContact CB-CD1 4.46Å
50	R	90.1	Very high	94	Very high	15 Å²	15	13.3 Å²	13.3	6%	0.057	7%	0.071	C	C	.	.	S	Bend	trans	-114.8	34.9	174.5	-59.7	-61.2	-172.1	-94.2	10.9	112.6	L47 P48 K52 S157 C159	L47-R50 HydrophobicContact CB-CG 4.01Å; L47-R50 WeakPolarHBondContact O-CB 3.39Å; L47-R50 WeakPolarHBondContact O-CG 3.35Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-R50 PolarHBondContact O-N 2.83Å; P48-R50 PolarHBondContact O-NH1 3.47Å; R50-K52 PolarHBondContact O-N 3.46Å; R50-S157 WeakPolarHBondContact O-CB 3.4Å; R50-S157 PolarHBondContact O-OG 2.84Å; R50-C159 PolarHBondContact NE-O 3.15Å; R50-C159 PolarHBondContact NH2-O 2.59Å
51	G	87.9	Confident	93.9	Very high	26 Å²	26	14 Å²	14	27%	0.268	7%	0.074	S	C	.	.	S	Bend	trans	62.9	5.3	176	0	0	0	0	0	117.8	T53 Y54 M55	G51-T53 PolarHBondContact O-N 3.49Å; G51-Y54 WeakPolarHBondContact O-CB 3.24Å; G51-Y54 PolarHBondContact O-N 3.1Å; G51-Y54 VanDerWaalsContact O-N 3.09Å; G51-M55 PolarHBondContact O-N 3.47Å
52	K	92.1	Very high	93.8	Very high	18 Å²	18	14 Å²	14	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-50.6	-58.6	-178.6	-66.2	-170.4	-58.8	-73.2	0	113.3	M44 G46 L47 R50 Y54 M55 S56 A130	M44-K52 HydrophobicContact CB-CB 4.41Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.45Å; M44-K52 HydrophobicContact CE-CB 4.31Å; G46-K52 WeakPolarHBondContact O-CE 3.04Å; G46-K52 PolarHBondContact O-NZ 3.3Å; L47-K52 PolarHBondContact O-NZ 2.88Å; R50-K52 PolarHBondContact O-N 3.46Å; K52-Y54 PolarHBondContact O-N 3.13Å; K52-M55 PolarHBondContact O-N 3.33Å; K52-M55 VanDerWaalsContact O-N 3.15Å; K52-S56 PolarHBondContact O-N 3.39Å; K52-S56 PolarHBondContact O-OG 3.22Å; K52-A130 WeakPolarHBondContact CD-O 3.42Å; K52-A130 WeakPolarHBondContact CE-O 3.49Å
53	T	89.9	Confident	93.7	Very high	24 Å²	24	14 Å²	14	15%	0.147	7%	0.074	C	C	.	.	H	α-helix	trans	-60.6	-32.2	-179.9	-52.8	0	0	0	0	112.8	G51 K57 D129 Y429	G51-T53 PolarHBondContact O-N 3.49Å; T53-K57 WeakPolarHBondContact O-CG 3.35Å; T53-K57 PolarHBondContact O-N 3.47Å; T53-K57 VanDerWaalsContact O-N 3.11Å; T53-D129 VanDerWaalsContact CA-OD2 3.28Å; T53-D129 WeakPolarHBondContact CA-OD2 3.22Å; T53-D129 VanDerWaalsContact CB-OD2 3.27Å; T53-D129 WeakPolarHBondContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D129 PolarHBondContact OG1-OD2 3.19Å; T53-Y429 HydrophobicContact CG2-CE1 3.84Å
54	Y	89	Confident	93.6	Very high	38 Å²	38	17.1 Å²	17.1	15%	0.149	9%	0.09	C	C	.	.	H	α-helix	trans	-65.3	-52.9	174.8	171.4	-91.8	0	0	0	110.8	G51 K52 S56 K57 K58 H247 V248	G51-Y54 WeakPolarHBondContact O-CB 3.24Å; G51-Y54 PolarHBondContact O-N 3.1Å; G51-Y54 VanDerWaalsContact O-N 3.09Å; K52-Y54 PolarHBondContact O-N 3.13Å; Y54-S56 VanDerWaalsContact C-N 3.35Å; Y54-S56 PolarHBondContact O-N 3.31Å; Y54-K57 PolarHBondContact O-N 3.08Å; Y54-K58 HydrophobicContact CE1-CD 3.78Å; Y54-K58 HydrophobicContact CE1-CG 4.45Å; Y54-K58 HydrophobicContact CE2-CD 4.25Å; Y54-K58 VanDerWaalsContact CZ-CE 3.45Å; Y54-K58 PolarHBondContact O-N 2.88Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.92Å; Y54-H247 PolarHBondContact OH-O 3.18Å; Y54-H247 VanDerWaalsContact OH-O 3.13Å; Y54-V248 HydrophobicContact CD1-CG2 4.49Å; Y54-V248 HydrophobicContact CE1-CG2 3.99Å
55	M	92.1	Very high	93.6	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-42.6	177	-67.7	-176.9	-71.6	0	0	111.6	M44 G51 K52 K57 K58 L59 S157 V219 L243 I246	M44-M55 HydrophobicContact CE-CB 4.07Å; M44-M55 HydrophobicContact CE-CE 3.99Å; G51-M55 PolarHBondContact O-N 3.47Å; K52-M55 PolarHBondContact O-N 3.33Å; K52-M55 VanDerWaalsContact O-N 3.15Å; M55-K57 VanDerWaalsContact C-N 3.35Å; M55-K57 PolarHBondContact O-N 3.36Å; M55-K58 PolarHBondContact O-N 2.93Å; M55-L59 WeakPolarHBondContact O-CB 3.17Å; M55-L59 PolarHBondContact O-N 3.46Å; M55-S157 VanDerWaalsContact CE-CB 3.44Å; M55-V219 HydrophobicContact SD-CG1 4.49Å; M55-V219 HydrophobicContact SD-CG2 4.38Å; M55-L243 HydrophobicContact CB-CD2 4.4Å; M55-L243 HydrophobicContact SD-CD2 4.4Å; M55-I246 HydrophobicContact CG-CD1 4.1Å
56	S	94.3	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-49.1	177.2	-59.4	0	0	0	0	111.6	M44 K52 Y54 T60	M44-S56 VanDerWaalsContact CG-OG 3.26Å; M44-S56 WeakPolarHBondContact CG-OG 3.31Å; K52-S56 PolarHBondContact O-N 3.39Å; K52-S56 PolarHBondContact O-OG 3.22Å; Y54-S56 VanDerWaalsContact C-N 3.35Å; Y54-S56 PolarHBondContact O-N 3.31Å; S56-T60 VanDerWaalsContact O-CB 3.3Å; S56-T60 WeakPolarHBondContact O-CB 3.18Å; S56-T60 PolarHBondContact O-N 3.34Å; S56-T60 PolarHBondContact O-OG1 3.27Å
57	K	92.4	Very high	93.3	Very high	88 Å²	88	19.4 Å²	19.4	38%	0.383	11%	0.107	S	C	.	.	H	α-helix	trans	-69.6	-45.4	-179	-75.4	-176.6	175.3	-168.7	0	112.5	T53 Y54 M55 T60 R61 Y429	T53-K57 WeakPolarHBondContact O-CG 3.35Å; T53-K57 PolarHBondContact O-N 3.47Å; T53-K57 VanDerWaalsContact O-N 3.11Å; Y54-K57 PolarHBondContact O-N 3.08Å; M55-K57 VanDerWaalsContact C-N 3.35Å; M55-K57 PolarHBondContact O-N 3.36Å; K57-T60 PolarHBondContact O-N 2.87Å; K57-R61 WeakPolarHBondContact O-CB 3.44Å; K57-R61 PolarHBondContact O-N 2.79Å; K57-Y429 HydrophobicContact CD-CD1 3.71Å; K57-Y429 HydrophobicContact CD-CE1 4.43Å
58	K	93.1	Very high	93.3	Very high	12 Å²	12	18.9 Å²	18.9	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-46.7	176.5	-91.5	-158	169.2	-173.1	0	111.5	Y54 M55 R61 Y62 Y242 I246 E382	Y54-K58 HydrophobicContact CE1-CD 3.78Å; Y54-K58 HydrophobicContact CE1-CG 4.45Å; Y54-K58 HydrophobicContact CE2-CD 4.25Å; Y54-K58 VanDerWaalsContact CZ-CE 3.45Å; Y54-K58 PolarHBondContact O-N 2.88Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.92Å; M55-K58 PolarHBondContact O-N 2.93Å; K58-R61 WeakPolarHBondContact O-CB 3.36Å; K58-R61 PolarHBondContact O-N 2.88Å; K58-Y62 PolarHBondContact O-N 3.25Å; K58-Y242 HydrophobicContact CB-CE1 4.29Å; K58-Y242 PolarHBondContact O-OH 2.99Å; K58-I246 HydrophobicContact CD-CG2 4.43Å; K58-E382 IonicContact NZ-OE1 3.76Å; K58-E382 IonicContact NZ-OE2 3.56Å; K58-E382 PolarHBondContact NZ-OE2 3.42Å
59	L	95.2	Very high	93.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-45.6	178.3	-176.5	63.3	0	0	0	111.4	I42 M55 R61 Y62 L63 I239 Y242	I42-L59 HydrophobicContact CD1-CD2 3.68Å; I42-L59 HydrophobicContact CG2-CD2 4.47Å; M55-L59 WeakPolarHBondContact O-CB 3.17Å; M55-L59 PolarHBondContact O-N 3.46Å; L59-R61 PolarHBondContact O-N 3.09Å; L59-Y62 HydrophobicContact CD1-CD1 4.36Å; L59-Y62 PolarHBondContact O-N 3.13Å; L59-L63 HydrophobicContact CD1-CD1 4.11Å; L59-L63 HydrophobicContact CD1-CG 4.25Å; L59-L63 HydrophobicContact CG-CD1 3.81Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 3.28Å; L59-I239 HydrophobicContact CD1-CB 4.37Å; L59-I239 HydrophobicContact CD1-CG1 4.13Å; L59-I239 HydrophobicContact CD1-CG2 4.02Å; L59-I239 HydrophobicContact CD2-CG2 3.84Å; L59-Y242 HydrophobicContact CB-CE1 4.38Å; L59-Y242 HydrophobicContact CD1-CD1 3.63Å; L59-Y242 HydrophobicContact CD1-CE1 4.26Å; L59-Y242 HydrophobicContact CD1-CG 4.36Å
60	T	96.7	Very high	94	Very high	14 Å²	14	20.4 Å²	20.4	9%	0.086	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-42.9	175.1	-68	0	0	0	0	112.4	S56 K57 L63 N64 T70 V72 V127	S56-T60 VanDerWaalsContact O-CB 3.3Å; S56-T60 WeakPolarHBondContact O-CB 3.18Å; S56-T60 PolarHBondContact O-N 3.34Å; S56-T60 PolarHBondContact O-OG1 3.27Å; K57-T60 PolarHBondContact O-N 2.87Å; T60-L63 PolarHBondContact O-N 2.92Å; T60-N64 VanDerWaalsContact CG2-ND2 3.35Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.25Å; T60-N64 WeakPolarHBondContact O-CB 3.16Å; T60-N64 PolarHBondContact O-N 2.89Å; T60-N64 PolarHBondContact O-ND2 2.98Å; T60-N64 VanDerWaalsContact O-ND2 3.09Å; T60-T70 HydrophobicContact CG2-CG2 3.85Å; T60-T70 WeakPolarHBondContact CG2-O 3.49Å; T60-T70 WeakPolarHBondContact OG1-CG2 3.49Å; T60-V72 HydrophobicContact CG2-CG2 4.03Å; T60-V72 WeakPolarHBondContact OG1-CG2 3.35Å; T60-V127 WeakPolarHBondContact OG1-CG2 3.36Å
61	R	95.6	Very high	94.4	Very high	16 Å²	16	23.6 Å²	23.6	6%	0.06	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-47.4	176.1	-176.6	176	76	168.7	-1.8	111.5	K57 K58 L59 W65 E382 Y402 F403 D405	K57-R61 WeakPolarHBondContact O-CB 3.44Å; K57-R61 PolarHBondContact O-N 2.79Å; K58-R61 WeakPolarHBondContact O-CB 3.36Å; K58-R61 PolarHBondContact O-N 2.88Å; L59-R61 PolarHBondContact O-N 3.09Å; R61-W65 VanDerWaalsContact O-CB 3.27Å; R61-W65 WeakPolarHBondContact O-CB 3.28Å; R61-W65 PolarHBondContact O-N 3.38Å; R61-E382 IonicContact NH2-OE1 3.88Å; R61-E382 PolarHBondContact NH2-OE1 2.94Å; R61-Y402 WeakPolarHBondContact CD-O 3.39Å; R61-Y402 WeakPolarHBondContact CG-O 3.49Å; R61-Y402 PolarHBondContact NE-O 3.44Å; R61-F403 PolarHBondContact NH1-O 3.42Å; R61-D405 HydrophobicContact CG-CB 4.15Å
62	Y	96.4	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-49.7	175.8	165.3	-110.1	0	0	0	112.4	K58 L59 N64 W65 I66 Y242 E375 M379 Y402	K58-Y62 PolarHBondContact O-N 3.25Å; L59-Y62 HydrophobicContact CD1-CD1 4.36Å; L59-Y62 PolarHBondContact O-N 3.13Å; Y62-N64 PolarHBondContact O-N 2.93Å; Y62-W65 PolarHBondContact O-N 3.43Å; Y62-W65 VanDerWaalsContact O-N 3.15Å; Y62-I66 HydrophobicContact CD2-CG2 4.06Å; Y62-I66 HydrophobicContact CE1-CD1 4.08Å; Y62-I66 HydrophobicContact CE2-CD1 4.48Å; Y62-I66 HydrophobicContact CE2-CG2 3.59Å; Y62-I66 PolarHBondContact O-N 3.04Å; Y62-Y242 HydrophobicContact CD1-CD1 4.09Å; Y62-Y242 AromaticContact CD1-CD2 3.6Å; Y62-Y242 HydrophobicContact CD1-CD2 3.6Å; Y62-Y242 HydrophobicContact CD1-CE2 4.08Å; Y62-Y242 AromaticContact CD1-CG 3.59Å; Y62-Y242 HydrophobicContact CD1-CG 3.59Å; Y62-Y242 AromaticContact CD2-CD2 3.77Å; Y62-Y242 HydrophobicContact CD2-CD2 3.77Å; Y62-Y242 AromaticContact CD2-CE2 3.83Å; Y62-Y242 HydrophobicContact CD2-CE2 3.83Å; Y62-Y242 AromaticContact CE1-CD2 3.95Å; Y62-Y242 HydrophobicContact CE1-CD2 3.95Å; Y62-Y242 AromaticContact CE1-CG 3.91Å; Y62-Y242 HydrophobicContact CE1-CG 3.91Å; Y62-Y242 HydrophobicContact CE2-CD2 4.11Å; Y62-Y242 HydrophobicContact CG-CD1 4.43Å; Y62-Y242 AromaticContact CG-CD2 3.49Å; Y62-Y242 HydrophobicContact CG-CD2 3.49Å; Y62-Y242 VanDerWaalsContact CG-CD2 3.49Å; Y62-Y242 HydrophobicContact CG-CE1 4.46Å; Y62-Y242 AromaticContact CG-CE2 3.54Å; Y62-Y242 HydrophobicContact CG-CE2 3.54Å; Y62-Y242 AromaticContact CG-CG 3.95Å; Y62-Y242 HydrophobicContact CG-CG 3.95Å; Y62-E375 HydrophobicContact CE2-CG 4.15Å; Y62-E375 PolarHBondContact OH-OE1 3.32Å; Y62-M379 HydrophobicContact CD2-CE 3.75Å; Y62-M379 HydrophobicContact CE2-CE 3.51Å; Y62-M379 HydrophobicContact CE2-SD 4.21Å; Y62-Y402 HydrophobicContact CD2-CE2 4.37Å
63	L	97	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-44.5	-179.5	-70.3	168.3	0	0	0	111.7	I42 L59 T60 W65 I66 G67 V68 T70 I125 I235 I239	I42-L63 HydrophobicContact CD1-CD1 4.27Å; L59-L63 HydrophobicContact CD1-CD1 4.11Å; L59-L63 HydrophobicContact CD1-CG 4.25Å; L59-L63 HydrophobicContact CG-CD1 3.81Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 3.28Å; T60-L63 PolarHBondContact O-N 2.92Å; L63-W65 VanDerWaalsContact C-N 3.35Å; L63-W65 PolarHBondContact O-N 2.97Å; L63-I66 HydrophobicContact CD2-CD1 4.27Å; L63-I66 WeakPolarHBondContact O-CG1 3.37Å; L63-I66 PolarHBondContact O-N 3.49Å; L63-G67 PolarHBondContact O-N 2.92Å; L63-V68 CarbonylContact C-O 3.34Å; L63-V68 VanDerWaalsContact C-O 3.32Å; L63-V68 HydrophobicContact CB-CB 4.41Å; L63-V68 WeakPolarHBondContact O-CA 3.38Å; L63-V68 WeakPolarHBondContact O-CB 3.41Å; L63-V68 PolarHBondContact O-N 3.28Å; L63-T70 HydrophobicContact CB-CG2 4.34Å; L63-T70 WeakPolarHBondContact CB-OG1 3.34Å; L63-T70 HydrophobicContact CD1-CG2 3.91Å; L63-I125 HydrophobicContact CD1-CD1 3.82Å; L63-I125 HydrophobicContact CD1-CG2 4.28Å; L63-I125 HydrophobicContact CD2-CD1 4.03Å; L63-I125 HydrophobicContact CG-CD1 4.45Å; L63-I235 HydrophobicContact CD2-CD1 3.71Å; L63-I235 HydrophobicContact CD2-CG1 4.46Å; L63-I239 HydrophobicContact CD2-CG1 4.32Å
64	N	96.6	Very high	95.4	Very high	64 Å²	64	24.1 Å²	24.1	34%	0.342	13%	0.125	S	C	.	.	H	α-helix	trans	-63.2	-40.9	174.4	-78.8	-46.5	0	0	0	112.1	T60 Y62 G67 V68 T70	T60-N64 VanDerWaalsContact CG2-ND2 3.35Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.25Å; T60-N64 WeakPolarHBondContact O-CB 3.16Å; T60-N64 PolarHBondContact O-N 2.89Å; T60-N64 PolarHBondContact O-ND2 2.98Å; T60-N64 VanDerWaalsContact O-ND2 3.09Å; Y62-N64 PolarHBondContact O-N 2.93Å; N64-G67 WeakPolarHBondContact O-CA 3.47Å; N64-G67 PolarHBondContact O-N 3.41Å; N64-V68 PolarHBondContact N-O 3.21Å; N64-V68 PolarHBondContact OD1-O 2.93Å; N64-T70 PolarHBondContact ND2-O 3.33Å; N64-T70 PolarHBondContact OD1-N 3.31Å; N64-T70 PolarHBondContact OD1-O 3.33Å
65	W	96.8	Very high	95.6	Very high	15 Å²	15	23.1 Å²	23.1	6%	0.057	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-41.9	179.6	-176.4	83.1	0	0	0	112.1	R61 Y62 L63 G67 V371 L374 E375 I378 C398 Y402	R61-W65 VanDerWaalsContact O-CB 3.27Å; R61-W65 WeakPolarHBondContact O-CB 3.28Å; R61-W65 PolarHBondContact O-N 3.38Å; Y62-W65 PolarHBondContact O-N 3.43Å; Y62-W65 VanDerWaalsContact O-N 3.15Å; L63-W65 VanDerWaalsContact C-N 3.35Å; L63-W65 PolarHBondContact O-N 2.97Å; W65-G67 PolarHBondContact O-N 3.25Å; W65-G67 VanDerWaalsContact O-N 3.15Å; W65-V371 HydrophobicContact CD2-CG1 4Å; W65-V371 HydrophobicContact CE3-CG1 3.99Å; W65-V371 HydrophobicContact CH2-CB 4.48Å; W65-V371 HydrophobicContact CH2-CG1 4.01Å; W65-V371 WeakPolarHBondContact CH2-O 3.45Å; W65-V371 HydrophobicContact CZ2-CB 4.3Å; W65-V371 HydrophobicContact CZ2-CG1 4.03Å; W65-V371 HydrophobicContact CZ2-CG2 4.16Å; W65-V371 HydrophobicContact CZ3-CG1 3.98Å; W65-V371 WeakPolarHBondContact O-CG1 3.3Å; W65-L374 HydrophobicContact CH2-CB 3.96Å; W65-L374 HydrophobicContact CZ2-CB 4.34Å; W65-E375 HydrophobicContact CZ3-CB 4.3Å; W65-I378 HydrophobicContact CE3-CG1 4.46Å; W65-I378 HydrophobicContact CH2-CD1 4.5Å; W65-I378 HydrophobicContact CH2-CG1 3.54Å; W65-I378 HydrophobicContact CZ2-CD1 4.43Å; W65-I378 HydrophobicContact CZ2-CG1 3.93Å; W65-I378 HydrophobicContact CZ3-CB 4.49Å; W65-I378 HydrophobicContact CZ3-CG1 3.85Å; W65-C398 HydrophobicContact CZ2-CB 4.45Å; W65-C398 PolarHBondContact NE1-O 3.07Å; W65-Y402 HydrophobicContact CB-CD2 3.96Å; W65-Y402 AromaticContact CD2-CD2 3.97Å; W65-Y402 HydrophobicContact CD2-CD2 3.97Å; W65-Y402 HydrophobicContact CD2-CG 4.47Å; W65-Y402 HydrophobicContact CE3-CD2 4.3Å; W65-Y402 AromaticContact CG-CD2 3.82Å; W65-Y402 HydrophobicContact CG-CD2 3.82Å; W65-Y402 HydrophobicContact CG-CG 4.39Å
66	I	95.3	Very high	95.5	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.046	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	2.8	171.8	68.3	173.3	0	0	0	113.2	S30 A32 Y62 L63 V68 E375	S30-I66 WeakPolarHBondContact CB-O 3.34Å; S30-I66 PolarHBondContact OG-O 3.47Å; A32-I66 HydrophobicContact CB-CB 4.43Å; A32-I66 HydrophobicContact CB-CD1 3.75Å; A32-I66 HydrophobicContact CB-CG1 4.06Å; Y62-I66 HydrophobicContact CD2-CG2 4.06Å; Y62-I66 HydrophobicContact CE1-CD1 4.08Å; Y62-I66 HydrophobicContact CE2-CD1 4.48Å; Y62-I66 HydrophobicContact CE2-CG2 3.59Å; Y62-I66 PolarHBondContact O-N 3.04Å; L63-I66 HydrophobicContact CD2-CD1 4.27Å; L63-I66 WeakPolarHBondContact O-CG1 3.37Å; L63-I66 PolarHBondContact O-N 3.49Å; I66-V68 HydrophobicContact CD1-CG2 4.29Å; I66-V68 HydrophobicContact CG1-CG2 4.17Å; I66-E375 HydrophobicContact CG2-CG 4.2Å
67	G	93.8	Very high	95.4	Very high	25 Å²	25	26.2 Å²	26.2	26%	0.258	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	16.7	172.7	0	0	0	0	0	115.9	S30 S33 L63 N64 W65 P69	S30-G67 WeakPolarHBondContact OG-CA 3.24Å; S30-G67 PolarHBondContact OG-O 2.86Å; S33-G67 WeakPolarHBondContact CB-O 3.4Å; L63-G67 PolarHBondContact O-N 2.92Å; N64-G67 WeakPolarHBondContact O-CA 3.47Å; N64-G67 PolarHBondContact O-N 3.41Å; W65-G67 PolarHBondContact O-N 3.25Å; W65-G67 VanDerWaalsContact O-N 3.15Å; G67-P69 WeakPolarHBondContact O-CD 3.39Å
68	V	95.8	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-95.9	108	174.9	-178.9	0	0	0	0	109.6	A32 L63 N64 I66 T70 Q124 I125 I235	A32-V68 HydrophobicContact CB-CG2 3.57Å; L63-V68 CarbonylContact C-O 3.34Å; L63-V68 VanDerWaalsContact C-O 3.32Å; L63-V68 HydrophobicContact CB-CB 4.41Å; L63-V68 WeakPolarHBondContact O-CA 3.38Å; L63-V68 WeakPolarHBondContact O-CB 3.41Å; L63-V68 PolarHBondContact O-N 3.28Å; N64-V68 PolarHBondContact N-O 3.21Å; N64-V68 PolarHBondContact OD1-O 2.93Å; I66-V68 HydrophobicContact CD1-CG2 4.29Å; I66-V68 HydrophobicContact CG1-CG2 4.17Å; V68-T70 PolarHBondContact O-N 2.97Å; V68-T70 PolarHBondContact O-OG1 2.81Å; V68-Q124 HydrophobicContact CG1-CB 4.1Å; V68-I125 HydrophobicContact CG1-CD1 3.5Å; V68-I125 HydrophobicContact CG1-CG1 3.89Å; V68-I235 HydrophobicContact CG2-CD1 4.24Å
69	P	96.6	Very high	95.4	Very high	44 Å²	44	23.9 Å²	23.9	29%	0.286	13%	0.134	S	C	.	.			trans	-58.6	112.6	-176.8	-24.3	34.6	0	0	0	111.7	G67 Y117 Q124 I125	G67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-Y117 PolarHBondContact O-OH 3.27Å; P69-Q124 PolarHBondContact O-N 3.34Å; P69-I125 PolarHBondContact O-N 3.2Å
70	T	98	Very high	95	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.8	-172.9	-54.2	0	0	0	0	111.8	T60 L63 N64 V68 Y117 I125 V127	T60-T70 HydrophobicContact CG2-CG2 3.85Å; T60-T70 WeakPolarHBondContact CG2-O 3.49Å; T60-T70 WeakPolarHBondContact OG1-CG2 3.49Å; L63-T70 HydrophobicContact CB-CG2 4.34Å; L63-T70 WeakPolarHBondContact CB-OG1 3.34Å; L63-T70 HydrophobicContact CD1-CG2 3.91Å; N64-T70 PolarHBondContact ND2-O 3.33Å; N64-T70 PolarHBondContact OD1-N 3.31Å; N64-T70 PolarHBondContact OD1-O 3.33Å; V68-T70 PolarHBondContact O-N 2.97Å; V68-T70 PolarHBondContact O-OG1 2.81Å; T70-Y117 VanDerWaalsContact C-OH 3.31Å; T70-Y117 WeakPolarHBondContact CA-OH 3.39Å; T70-Y117 PolarHBondContact N-OH 2.68Å; T70-Y117 VanDerWaalsContact N-OH 3.16Å; T70-I125 VanDerWaalsContact CA-O 3.26Å; T70-I125 WeakPolarHBondContact CA-O 3.45Å; T70-I125 HydrophobicContact CG2-CB 3.9Å; T70-I125 HydrophobicContact CG2-CG2 3.85Å; T70-V127 HydrophobicContact CG2-CG2 3.86Å
71	K	98.1	Very high	94.7	Very high	82 Å²	82	33.3 Å²	33.3	36%	0.357	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.1	178.7	-170.7	175.1	-178.8	-177.8	0	111.7	F73 Y117 E121 I125 V127	K71-F73 HydrophobicContact CB-CE2 3.99Å; K71-F73 HydrophobicContact CB-CZ 4.38Å; K71-F73 HydrophobicContact CD-CE1 4.46Å; K71-F73 HydrophobicContact CD-CE2 4.29Å; K71-F73 HydrophobicContact CD-CZ 3.86Å; K71-F73 HydrophobicContact CG-CE2 4.08Å; K71-F73 HydrophobicContact CG-CZ 4.15Å; K71-Y117 HydrophobicContact CB-CD1 4.06Å; K71-Y117 HydrophobicContact CB-CD2 4.29Å; K71-Y117 HydrophobicContact CB-CE1 3.58Å; K71-Y117 HydrophobicContact CB-CE2 3.85Å; K71-Y117 HydrophobicContact CB-CG 4.39Å; K71-Y117 VanDerWaalsContact CB-CZ 3.46Å; K71-Y117 HydrophobicContact CD-CD2 3.67Å; K71-Y117 HydrophobicContact CD-CE2 3.81Å; K71-Y117 HydrophobicContact CD-CG 4.05Å; K71-E121 IonicContact NZ-OE2 2.99Å; K71-E121 PolarHBondContact NZ-OE2 3.28Å; K71-I125 PolarHBondContact N-O 3.38Å; K71-I125 VanDerWaalsContact N-O 3.11Å; K71-V127 PolarHBondContact O-N 3.22Å
72	V	97.6	Very high	94.3	Very high	42 Å²	42	35.7 Å²	35.7	26%	0.255	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.1	175	-176.4	0	0	0	0	110.4	T60 N74 V127 D129	T60-V72 HydrophobicContact CG2-CG2 4.03Å; T60-V72 WeakPolarHBondContact OG1-CG2 3.35Å; V72-N74 HydrophobicContact CG1-CB 4.5Å; V72-V127 CarbonylContact C-O 3.59Å; V72-V127 WeakPolarHBondContact CA-O 3.02Å; V72-V127 HydrophobicContact CG2-CB 4.23Å; V72-D129 HydrophobicContact CG1-CB 4.02Å
73	F	97.8	Very high	93.6	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	95	172.5	-62	-96.1	0	0	0	108.4	K71 D113 V114 Y117 A126 V127 F128 D129	K71-F73 HydrophobicContact CB-CE2 3.99Å; K71-F73 HydrophobicContact CB-CZ 4.38Å; K71-F73 HydrophobicContact CD-CE1 4.46Å; K71-F73 HydrophobicContact CD-CE2 4.29Å; K71-F73 HydrophobicContact CD-CZ 3.86Å; K71-F73 HydrophobicContact CG-CE2 4.08Å; K71-F73 HydrophobicContact CG-CZ 4.15Å; F73-D113 HydrophobicContact CD1-CB 4.1Å; F73-D113 HydrophobicContact CE1-CB 3.73Å; F73-V114 HydrophobicContact CB-CG2 4.21Å; F73-V114 HydrophobicContact CD1-CG2 3.84Å; F73-V114 HydrophobicContact CD2-CG2 3.55Å; F73-V114 HydrophobicContact CE1-CG2 4.06Å; F73-V114 HydrophobicContact CE2-CG2 3.79Å; F73-V114 HydrophobicContact CG-CG2 3.58Å; F73-V114 HydrophobicContact CZ-CG2 4.03Å; F73-Y117 HydrophobicContact CE2-CD1 4.03Å; F73-Y117 HydrophobicContact CE2-CG 4.4Å; F73-Y117 HydrophobicContact CZ-CD1 4.03Å; F73-Y117 AromaticContact CZ-CG 3.93Å; F73-Y117 HydrophobicContact CZ-CG 3.93Å; F73-A126 HydrophobicContact CD2-CB 4.05Å; F73-A126 HydrophobicContact CE2-CB 3.71Å; F73-V127 PolarHBondContact N-O 3.1Å; F73-F128 HydrophobicContact CB-CD2 4.27Å; F73-D129 PolarHBondContact O-N 2.84Å
74	N	95.1	Very high	92.2	Very high	33 Å²	33	48.8 Å²	48.8	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.1	-176	-177.1	-64.3	0	0	0	111	V72 G76 V77 Y78 D129	V72-N74 HydrophobicContact CG1-CB 4.5Å; N74-G76 PolarHBondContact O-N 3.48Å; N74-G76 VanDerWaalsContact O-N 3.07Å; N74-G76 VanDerWaalsContact OD1-CA 3.24Å; N74-G76 WeakPolarHBondContact OD1-CA 3.43Å; N74-G76 PolarHBondContact OD1-N 3.21Å; N74-V77 HydrophobicContact CB-CG2 4.03Å; N74-V77 WeakPolarHBondContact O-CB 3.42Å; N74-V77 PolarHBondContact O-N 2.89Å; N74-V77 PolarHBondContact OD1-N 2.91Å; N74-Y78 WeakPolarHBondContact O-CD2 3.29Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å
75	L	93.9	Very high	90.7	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-22.2	-177.9	-115.1	66.7	0	0	0	114.1	V77 R79 A107 A110 F128 D129 A130	L75-V77 VanDerWaalsContact C-N 3.28Å; L75-V77 PolarHBondContact O-N 3.4Å; L75-R79 VanDerWaalsContact O-CB 3.29Å; L75-R79 WeakPolarHBondContact O-CB 3.41Å; L75-R79 PolarHBondContact O-N 3.42Å; L75-A107 HydrophobicContact CD2-CB 3.85Å; L75-A110 HydrophobicContact CD1-CB 3.51Å; L75-F128 HydrophobicContact CD1-CD2 4.39Å; L75-F128 HydrophobicContact CD1-CE1 4.05Å; L75-F128 HydrophobicContact CD1-CE2 3.58Å; L75-F128 HydrophobicContact CD1-CZ 3.38Å; L75-F128 HydrophobicContact CD2-CE1 4.39Å; L75-F128 HydrophobicContact CD2-CZ 4.21Å; L75-F128 HydrophobicContact CG-CZ 4.45Å; L75-D129 PolarHBondContact N-O 2.93Å; L75-A130 HydrophobicContact CB-CB 3.87Å; L75-A130 HydrophobicContact CD2-CB 3.65Å; L75-A130 HydrophobicContact CG-CB 4.23Å
76	G	89.8	Confident	89.3	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-31.8	173.4	0	0	0	0	0	113	N74 R79 R80	N74-G76 PolarHBondContact O-N 3.48Å; N74-G76 VanDerWaalsContact O-N 3.07Å; N74-G76 VanDerWaalsContact OD1-CA 3.24Å; N74-G76 WeakPolarHBondContact OD1-CA 3.43Å; N74-G76 PolarHBondContact OD1-N 3.21Å; G76-R79 PolarHBondContact O-NH2 3.19Å; G76-R79 VanDerWaalsContact O-NH2 3.09Å; G76-R80 WeakPolarHBondContact O-CG 3.27Å; G76-R80 PolarHBondContact O-N 3.1Å; G76-R80 PolarHBondContact O-NH1 3.19Å
77	V	91.1	Very high	87.9	Confident	58 Å²	58	60.7 Å²	60.7	35%	0.352	31%	0.314	S	S	.	.	H	α-helix	trans	-69.7	-56.7	174.8	178.1	0	0	0	0	109.8	N74 L75 R79 R80 E81	N74-V77 HydrophobicContact CB-CG2 4.03Å; N74-V77 WeakPolarHBondContact O-CB 3.42Å; N74-V77 PolarHBondContact O-N 2.89Å; N74-V77 PolarHBondContact OD1-N 2.91Å; L75-V77 VanDerWaalsContact C-N 3.28Å; L75-V77 PolarHBondContact O-N 3.4Å; V77-R79 VanDerWaalsContact C-N 3.26Å; V77-R79 PolarHBondContact O-N 2.81Å; V77-R80 VanDerWaalsContact CG2-NH2 3.34Å; V77-R80 WeakPolarHBondContact O-CB 3.45Å; V77-R80 PolarHBondContact O-N 3.41Å; V77-E81 WeakPolarHBondContact CG1-OE1 3.44Å; V77-E81 PolarHBondContact O-N 2.97Å
78	Y	93.8	Very high	87.4	Confident	41 Å²	41	60.8 Å²	60.8	16%	0.161	31%	0.311	C	S	.	.	H	α-helix	trans	-50.8	-45.5	176.4	-72.5	-90	0	0	0	112.7	N74 R80 E81 A82 V109 A110 D113	N74-Y78 WeakPolarHBondContact O-CD2 3.29Å; Y78-R80 PolarHBondContact O-N 3.47Å; Y78-E81 PolarHBondContact O-N 3.37Å; Y78-A82 WeakPolarHBondContact O-CB 3.37Å; Y78-A82 PolarHBondContact O-N 3.09Å; Y78-V109 HydrophobicContact CD1-CG1 4.07Å; Y78-V109 HydrophobicContact CE1-CG1 4.08Å; Y78-A110 HydrophobicContact CD1-CB 4.24Å; Y78-A110 HydrophobicContact CD2-CB 3.95Å; Y78-A110 HydrophobicContact CE1-CB 4.09Å; Y78-A110 HydrophobicContact CE2-CB 3.8Å; Y78-A110 HydrophobicContact CG-CB 4.17Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.45Å; Y78-D113 VanDerWaalsContact CZ-OD2 3.26Å; Y78-D113 PolarHBondContact OH-OD2 3.39Å
79	R	91.5	Very high	87	Confident	11 Å²	11	63.8 Å²	63.8	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-39.2	177.4	174.4	-137.5	51.4	-174.4	-9.2	112.4	L75 G76 V77 E81 A82 V83 Y86 F91 F92 D178 R194	L75-R79 VanDerWaalsContact O-CB 3.29Å; L75-R79 WeakPolarHBondContact O-CB 3.41Å; L75-R79 PolarHBondContact O-N 3.42Å; G76-R79 PolarHBondContact O-NH2 3.19Å; G76-R79 VanDerWaalsContact O-NH2 3.09Å; V77-R79 VanDerWaalsContact C-N 3.26Å; V77-R79 PolarHBondContact O-N 2.81Å; R79-E81 VanDerWaalsContact C-N 3.32Å; R79-A82 PolarHBondContact O-N 3.17Å; R79-V83 WeakPolarHBondContact O-CB 3.23Å; R79-V83 PolarHBondContact O-N 3.19Å; R79-Y86 PolarHBondContact NH1-OH 2.81Å; R79-F91 HydrophobicContact CG-CE1 4.04Å; R79-F91 HydrophobicContact CG-CZ 4.32Å; R79-F92 VanDerWaalsContact NH1-CZ 3.32Å; R79-D178 IonicContact CZ-OD1 2.91Å; R79-D178 IonicContact CZ-OD2 3.9Å; R79-D178 IonicContact NH1-OD2 3.2Å; R79-D178 PolarHBondContact NH1-OD2 2.85Å; R79-D178 VanDerWaalsContact NH2-CG 3.25Å; R79-D178 IonicContact NH2-OD1 3.29Å; R79-D178 PolarHBondContact NH2-OD1 3.41Å; R79-D178 IonicContact NH2-OD2 3.6Å; R79-D178 PolarHBondContact NH2-OD2 3.11Å; R79-R194 VanDerWaalsContact NH1-NH2 3.18Å
80	R	88.5	Confident	86.6	Confident	73 Å²	73	64.7 Å²	64.7	28%	0.275	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-34.1	177.3	-82.9	-174.4	-65.2	-86.7	-3.5	112.3	G76 V77 Y78 V83 D178	G76-R80 WeakPolarHBondContact O-CG 3.27Å; G76-R80 PolarHBondContact O-N 3.1Å; G76-R80 PolarHBondContact O-NH1 3.19Å; V77-R80 VanDerWaalsContact CG2-NH2 3.34Å; V77-R80 WeakPolarHBondContact O-CB 3.45Å; V77-R80 PolarHBondContact O-N 3.41Å; Y78-R80 PolarHBondContact O-N 3.47Å; R80-V83 CarbonylContact O-C 3.57Å; R80-D178 VanDerWaalsContact CD-OD1 3.24Å; R80-D178 WeakPolarHBondContact CD-OD1 3.22Å; R80-D178 IonicContact CZ-OD1 3.1Å; R80-D178 IonicContact NE-OD1 2.65Å; R80-D178 IonicContact NH1-OD1 2.79Å; R80-D178 PolarHBondContact NH1-OD1 3.34Å
81	E	88.7	Confident	86.2	Confident	140 Å²	140	65.5 Å²	65.5	65%	0.654	33%	0.328	S	S	*	.	H	α-helix	trans	-69.8	-40	175.6	-69.6	172.3	-176.1	0	0	111.3	V77 Y78 R79	V77-E81 WeakPolarHBondContact CG1-OE1 3.44Å; V77-E81 PolarHBondContact O-N 2.97Å; Y78-E81 PolarHBondContact O-N 3.37Å; R79-E81 VanDerWaalsContact C-N 3.32Å
82	A	87.1	Confident	85.8	Confident	66 Å²	66	61.8 Å²	61.8	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-70.9	-33.5	175.6	0	0	0	0	0	113.2	Y78 R79	Y78-A82 WeakPolarHBondContact O-CB 3.37Å; Y78-A82 PolarHBondContact O-N 3.09Å; R79-A82 PolarHBondContact O-N 3.17Å
83	V	83.6	Confident	85.5	Confident	26 Å²	26	64.4 Å²	64.4	16%	0.158	32%	0.317	C	S	.	.	S	Bend	trans	-124.1	94.4	-175.4	-169.4	0	0	0	0	108.9	R79 R80 A85 F91 I102	R79-V83 WeakPolarHBondContact O-CB 3.23Å; R79-V83 PolarHBondContact O-N 3.19Å; R80-V83 CarbonylContact O-C 3.57Å; V83-A85 PolarHBondContact O-N 3.29Å; V83-F91 HydrophobicContact CG1-CE2 4.49Å; V83-F91 HydrophobicContact CG2-CE2 4.23Å; V83-F91 HydrophobicContact CG2-CZ 4.1Å; V83-I102 HydrophobicContact CG2-CG2 3.66Å
84	R	67.6	Low	85.1	Confident	249 Å²	249	68.7 Å²	68.7	94%	0.94	34%	0.337	S	S	*	.	S	Bend	trans	-53.1	-27.4	-173.1	-69.8	-174.8	177.5	-175.4	-0.7	114.6
85	A	64.4	Low	84.9	Confident	88 Å²	88	71.1 Å²	71.1	73%	0.727	35%	0.35	S	S	*	.			trans	-166.2	143.5	163.1	0	0	0	0	0	109.8	V83	V83-A85 PolarHBondContact O-N 3.29Å
86	Y	66.6	Low	84.8	Confident	34 Å²	34	72.5 Å²	72.5	13%	0.133	36%	0.358	C	S	.	.			trans	-121.8	146.8	165	63.3	-89.3	0	0	0	108.8	R79 S88 F91 F92 D178 R194	R79-Y86 PolarHBondContact NH1-OH 2.81Å; Y86-S88 WeakPolarHBondContact CD2-O 3.35Å; Y86-F91 HydrophobicContact CD1-CD1 4.47Å; Y86-F91 HydrophobicContact CD2-CB 3.88Å; Y86-F91 HydrophobicContact CD2-CG 4.32Å; Y86-F91 HydrophobicContact CG-CB 4.08Å; Y86-F91 HydrophobicContact CG-CD1 4.35Å; Y86-F91 HydrophobicContact CG-CG 4.08Å; Y86-F92 HydrophobicContact CD2-CE2 4.17Å; Y86-F92 HydrophobicContact CD2-CZ 4.49Å; Y86-F92 HydrophobicContact CE1-CZ 4.18Å; Y86-F92 HydrophobicContact CE2-CD2 4.48Å; Y86-F92 AromaticContact CE2-CE2 3.35Å; Y86-F92 HydrophobicContact CE2-CE2 3.35Å; Y86-F92 AromaticContact CE2-CZ 3.65Å; Y86-F92 HydrophobicContact CE2-CZ 3.65Å; Y86-F92 AromaticContact CZ-CE2 3.66Å; Y86-F92 AromaticContact CZ-CZ 3.46Å; Y86-F92 VanDerWaalsContact CZ-CZ 3.46Å; Y86-F92 WeakPolarHBondContact OH-CZ 3.47Å; Y86-D178 VanDerWaalsContact OH-CG 3.24Å; Y86-D178 PolarHBondContact OH-OD2 3.33Å; Y86-R194 PolarHBondContact OH-NH1 3.29Å
87	K	65.9	Low	84.9	Confident	217 Å²	217	79.6 Å²	79.6	94%	0.943	39%	0.386	S	S	*	.			trans	-85.3	-27.2	-165.1	-67.6	-171.2	177.5	-177.4	0	114.8
88	S	83.7	Confident	84.9	Confident	27 Å²	27	83.8 Å²	83.8	19%	0.189	40%	0.402	C	S	.	.	S	Bend	trans	-159.4	176.1	-169.5	65.8	0	0	0	0	113	Y86 D90 F91 D190	Y86-S88 WeakPolarHBondContact CD2-O 3.35Å; S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 WeakPolarHBondContact OG-CB 3.38Å; S88-D90 PolarHBondContact OG-N 2.93Å; S88-D90 PolarHBondContact OG-OD2 2.71Å; S88-F91 PolarHBondContact O-N 3.16Å; S88-D190 VanDerWaalsContact CA-OD1 3.31Å; S88-D190 WeakPolarHBondContact CA-OD1 3.34Å
89	Y	87.3	Confident	84.7	Confident	63 Å²	63	82 Å²	82	25%	0.247	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-53.3	-18.8	169.8	74.3	-83.3	0	0	0	114.6	F91 F92 D190 K193	Y89-F91 PolarHBondContact O-N 2.71Å; Y89-F91 VanDerWaalsContact O-N 3.15Å; Y89-F92 WeakPolarHBondContact O-CB 3.3Å; Y89-F92 PolarHBondContact O-N 3.36Å; Y89-D190 WeakPolarHBondContact CD1-OD1 3.38Å; Y89-D190 PolarHBondContact N-OD1 3.32Å; Y89-K193 HydrophobicContact CD1-CB 3.84Å; Y89-K193 HydrophobicContact CD1-CD 3.86Å; Y89-K193 HydrophobicContact CD1-CG 4.5Å; Y89-K193 HydrophobicContact CD2-CB 3.74Å; Y89-K193 HydrophobicContact CE1-CB 4.23Å; Y89-K193 HydrophobicContact CE1-CD 3.54Å; Y89-K193 HydrophobicContact CE2-CB 4.11Å; Y89-K193 HydrophobicContact CE2-CD 4.4Å; Y89-K193 HydrophobicContact CG-CB 3.59Å; Y89-K193 HydrophobicContact CG-CD 4.44Å
90	D	88.4	Confident	84.6	Confident	63 Å²	63	85 Å²	85	34%	0.337	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28.3	-178.8	-66.1	-51.2	0	0	0	113.2	S88 F92 R93 N96	S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 WeakPolarHBondContact OG-CB 3.38Å; S88-D90 PolarHBondContact OG-N 2.93Å; S88-D90 PolarHBondContact OG-OD2 2.71Å; D90-F92 PolarHBondContact O-N 3.24Å; D90-R93 PolarHBondContact O-N 3.42Å; D90-N96 PolarHBondContact O-ND2 2.87Å; D90-N96 VanDerWaalsContact O-ND2 3.16Å
91	F	89.1	Confident	84.8	Confident	23 Å²	23	89.3 Å²	89.3	10%	0.101	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.9	173.1	-176.8	-94.8	0	0	0	112.6	R79 V83 Y86 S88 Y89 A99 I102 R103	R79-F91 HydrophobicContact CG-CE1 4.04Å; R79-F91 HydrophobicContact CG-CZ 4.32Å; V83-F91 HydrophobicContact CG1-CE2 4.49Å; V83-F91 HydrophobicContact CG2-CE2 4.23Å; V83-F91 HydrophobicContact CG2-CZ 4.1Å; Y86-F91 HydrophobicContact CD1-CD1 4.47Å; Y86-F91 HydrophobicContact CD2-CB 3.88Å; Y86-F91 HydrophobicContact CD2-CG 4.32Å; Y86-F91 HydrophobicContact CG-CB 4.08Å; Y86-F91 HydrophobicContact CG-CD1 4.35Å; Y86-F91 HydrophobicContact CG-CG 4.08Å; S88-F91 PolarHBondContact O-N 3.16Å; Y89-F91 PolarHBondContact O-N 2.71Å; Y89-F91 VanDerWaalsContact O-N 3.15Å; F91-A99 HydrophobicContact CD1-CB 4.47Å; F91-A99 HydrophobicContact CD2-CB 3.59Å; F91-A99 HydrophobicContact CE1-CB 4.47Å; F91-A99 HydrophobicContact CE2-CB 3.6Å; F91-A99 HydrophobicContact CG-CB 4.05Å; F91-A99 HydrophobicContact CZ-CB 4.06Å; F91-A99 WeakPolarHBondContact O-CB 3.48Å; F91-I102 HydrophobicContact CE2-CD1 4.44Å; F91-I102 HydrophobicContact CZ-CG2 4.23Å; F91-R103 HydrophobicContact CE1-CG 3.87Å; F91-R103 HydrophobicContact CZ-CG 4.22Å
92	F	90.9	Very high	85	Confident	4 Å²	4	85.1 Å²	85.1	2%	0.018	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-96.7	-6.2	-176.6	-60.3	-69.8	0	0	0	114.8	R79 Y86 Y89 D90 R103 R194 C197 Y198	R79-F92 VanDerWaalsContact NH1-CZ 3.32Å; Y86-F92 HydrophobicContact CD2-CE2 4.17Å; Y86-F92 HydrophobicContact CD2-CZ 4.49Å; Y86-F92 HydrophobicContact CE1-CZ 4.18Å; Y86-F92 HydrophobicContact CE2-CD2 4.48Å; Y86-F92 AromaticContact CE2-CE2 3.35Å; Y86-F92 HydrophobicContact CE2-CE2 3.35Å; Y86-F92 AromaticContact CE2-CZ 3.65Å; Y86-F92 HydrophobicContact CE2-CZ 3.65Å; Y86-F92 AromaticContact CZ-CE2 3.66Å; Y86-F92 AromaticContact CZ-CZ 3.46Å; Y86-F92 VanDerWaalsContact CZ-CZ 3.46Å; Y86-F92 WeakPolarHBondContact OH-CZ 3.47Å; Y89-F92 WeakPolarHBondContact O-CB 3.3Å; Y89-F92 PolarHBondContact O-N 3.36Å; D90-F92 PolarHBondContact O-N 3.24Å; F92-R103 PolarHBondContact O-NH1 3.37Å; F92-R103 VanDerWaalsContact O-NH1 3.13Å; F92-R103 PolarHBondContact O-NH2 3.47Å; F92-R194 HydrophobicContact CB-CG 4.26Å; F92-R194 HydrophobicContact CD2-CB 4.29Å; F92-R194 HydrophobicContact CD2-CG 3.53Å; F92-R194 VanDerWaalsContact CE2-CD 3.48Å; F92-R194 HydrophobicContact CE2-CG 4.05Å; F92-R194 VanDerWaalsContact CE2-CZ 3.47Å; F92-R194 VanDerWaalsContact CE2-NE 3.29Å; F92-R194 HydrophobicContact CG-CG 3.91Å; F92-R194 VanDerWaalsContact CZ-NH2 3.3Å; F92-C197 HydrophobicContact CB-CB 4.32Å; F92-Y198 HydrophobicContact CB-CE2 3.94Å; F92-Y198 AromaticContact CD1-CE2 3.94Å; F92-Y198 HydrophobicContact CD1-CE2 3.94Å; F92-Y198 AromaticContact CD1-CZ 3.98Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.37Å; F92-Y198 HydrophobicContact CG-CE2 4.06Å
93	R	90.6	Very high	85.1	Confident	96 Å²	96	83.3 Å²	83.3	36%	0.362	39%	0.392	S	S	.	.			trans	-58.5	147.7	178	-57	169.5	57.4	121.6	-0.6	110.7	D90 D95 N96 R103	D90-R93 PolarHBondContact O-N 3.42Å; R93-D95 VanDerWaalsContact C-N 3.35Å; R93-D95 WeakPolarHBondContact CB-OD1 3.08Å; R93-D95 IonicContact CZ-OD1 3.47Å; R93-D95 IonicContact CZ-OD2 3.78Å; R93-D95 IonicContact NE-OD1 3.71Å; R93-D95 PolarHBondContact NE-OD1 3.21Å; R93-D95 IonicContact NE-OD2 3.5Å; R93-D95 PolarHBondContact NE-OD2 3.05Å; R93-D95 IonicContact NH2-OD1 2.71Å; R93-D95 IonicContact NH2-OD2 3.77Å; R93-D95 PolarHBondContact NH2-OD2 3.04Å; R93-N96 HydrophobicContact CB-CB 4.34Å; R93-R103 PolarHBondContact O-NH2 2.91Å
94	H	88.8	Confident	85.6	Confident	94 Å²	94	86.3 Å²	86.3	44%	0.435	40%	0.403	S	S	.	.	S	Bend	trans	-78.3	-23.8	-177.2	64.7	-84.6	0	0	0	112.2	N96 T201	H94-N96 VanDerWaalsContact C-N 3.32Å; H94-T201 HydrophobicContact CB-CG2 3.92Å
95	D	91.3	Very high	86.9	Confident	84 Å²	84	79.8 Å²	79.8	45%	0.449	38%	0.383	S	S	.	.	S	Bend	trans	-83.7	-5.2	175.6	61.3	-13.3	0	0	0	113.4	R93 E97	R93-D95 VanDerWaalsContact C-N 3.35Å; R93-D95 WeakPolarHBondContact CB-OD1 3.08Å; R93-D95 IonicContact CZ-OD1 3.47Å; R93-D95 IonicContact CZ-OD2 3.78Å; R93-D95 IonicContact NE-OD1 3.71Å; R93-D95 PolarHBondContact NE-OD1 3.21Å; R93-D95 IonicContact NE-OD2 3.5Å; R93-D95 PolarHBondContact NE-OD2 3.05Å; R93-D95 IonicContact NH2-OD1 2.71Å; R93-D95 IonicContact NH2-OD2 3.77Å; R93-D95 PolarHBondContact NH2-OD2 3.04Å; D95-E97 PolarHBondContact O-N 3.02Å; D95-E97 VanDerWaalsContact O-N 3.15Å
96	N	92.5	Very high	88.3	Confident	48 Å²	48	76 Å²	76	26%	0.257	35%	0.351	S	S	.	.			trans	-82.7	88.3	173.7	-172.2	-23.8	0	0	0	110.3	D90 R93 H94 E98 A99 M100	D90-N96 PolarHBondContact O-ND2 2.87Å; D90-N96 VanDerWaalsContact O-ND2 3.16Å; R93-N96 HydrophobicContact CB-CB 4.34Å; H94-N96 VanDerWaalsContact C-N 3.32Å; N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.34Å; N96-A99 HydrophobicContact CB-CB 4.09Å; N96-A99 VanDerWaalsContact CG-CB 3.42Å; N96-A99 PolarHBondContact O-N 2.77Å; N96-A99 WeakPolarHBondContact OD1-CB 3.35Å; N96-A99 PolarHBondContact OD1-N 3.44Å; N96-M100 WeakPolarHBondContact O-CB 3.43Å; N96-M100 VanDerWaalsContact O-CG 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.33Å; N96-M100 PolarHBondContact O-N 3.39Å
97	E	92	Very high	89.7	Confident	167 Å²	167	74.5 Å²	74.5	78%	0.78	35%	0.346	S	S	*	.	H	α-helix	trans	-58.2	-41.8	-176.4	-65.4	-173	174.1	0	0	113.2	D95 M100 K101	D95-E97 PolarHBondContact O-N 3.02Å; D95-E97 VanDerWaalsContact O-N 3.15Å; E97-M100 PolarHBondContact O-N 3.01Å; E97-K101 WeakPolarHBondContact O-CB 3.07Å; E97-K101 PolarHBondContact O-N 2.93Å
98	E	90.8	Very high	91.1	Very high	146 Å²	146	67.7 Å²	67.7	68%	0.682	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-49	179.2	-173.2	-178.1	-179.1	0	0	110.8	N96 M100 K101 I102	N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.34Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 3.21Å; E98-K101 WeakPolarHBondContact O-CB 3.23Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-I102 HydrophobicContact CG-CD1 4.2Å; E98-I102 WeakPolarHBondContact O-CG1 3.45Å; E98-I102 PolarHBondContact O-N 2.84Å
99	A	89.8	Confident	91.7	Very high	2 Å²	2	69.4 Å²	69.4	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-67.9	-33.2	178.5	0	0	0	0	0	112.5	F91 N96 R103	F91-A99 HydrophobicContact CD1-CB 4.47Å; F91-A99 HydrophobicContact CD2-CB 3.59Å; F91-A99 HydrophobicContact CE1-CB 4.47Å; F91-A99 HydrophobicContact CE2-CB 3.6Å; F91-A99 HydrophobicContact CG-CB 4.05Å; F91-A99 HydrophobicContact CZ-CB 4.06Å; F91-A99 WeakPolarHBondContact O-CB 3.48Å; N96-A99 HydrophobicContact CB-CB 4.09Å; N96-A99 VanDerWaalsContact CG-CB 3.42Å; N96-A99 PolarHBondContact O-N 2.77Å; N96-A99 WeakPolarHBondContact OD1-CB 3.35Å; N96-A99 PolarHBondContact OD1-N 3.44Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 VanDerWaalsContact O-CG 3.26Å; A99-R103 WeakPolarHBondContact O-CG 3.14Å; A99-R103 PolarHBondContact O-N 3Å; A99-R103 PolarHBondContact O-NE 2.77Å
100	M	89.8	Confident	92.2	Very high	75 Å²	75	66.4 Å²	66.4	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-44.4	171.6	-78.1	-67.3	-78.4	0	0	111.4	N96 E97 E98 R103 K104	N96-M100 WeakPolarHBondContact O-CB 3.43Å; N96-M100 VanDerWaalsContact O-CG 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.33Å; N96-M100 PolarHBondContact O-N 3.39Å; E97-M100 PolarHBondContact O-N 3.01Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 3.21Å; M100-R103 PolarHBondContact O-N 3.27Å; M100-R103 PolarHBondContact SD-NH2 2.71Å; M100-K104 WeakPolarHBondContact O-CB 3.44Å; M100-K104 PolarHBondContact O-N 3.01Å
101	K	92.3	Very high	92.7	Very high	164 Å²	164	63.7 Å²	63.7	71%	0.713	30%	0.302	S	S	*	.	H	α-helix	trans	-61.2	-46.5	175.9	-172.4	178.5	-179.5	-179.9	0	111.6	E97 E98 K104 Q105	E97-K101 WeakPolarHBondContact O-CB 3.07Å; E97-K101 PolarHBondContact O-N 2.93Å; E98-K101 WeakPolarHBondContact O-CB 3.23Å; E98-K101 PolarHBondContact O-N 3.38Å; K101-K104 PolarHBondContact O-N 2.87Å; K101-Q105 PolarHBondContact O-N 2.94Å
102	I	91.9	Very high	93	Very high	51 Å²	51	66.8 Å²	66.8	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-48.1	176.9	-66.6	166.9	0	0	0	110.9	V83 F91 E98 K104 Q105 C106	V83-I102 HydrophobicContact CG2-CG2 3.66Å; F91-I102 HydrophobicContact CE2-CD1 4.44Å; F91-I102 HydrophobicContact CZ-CG2 4.23Å; E98-I102 HydrophobicContact CG-CD1 4.2Å; E98-I102 WeakPolarHBondContact O-CG1 3.45Å; E98-I102 PolarHBondContact O-N 2.84Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 3.35Å; I102-Q105 PolarHBondContact O-N 2.86Å; I102-C106 PolarHBondContact O-N 2.93Å; I102-C106 PolarHBondContact O-SG 3.22Å
103	R	91	Very high	93.4	Very high	28 Å²	28	69.5 Å²	69.5	11%	0.106	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-36.3	178.7	-74.8	-175.6	-68.7	179.2	-11.1	112.4	F91 F92 R93 A99 M100 A107 Y198	F91-R103 HydrophobicContact CE1-CG 3.87Å; F91-R103 HydrophobicContact CZ-CG 4.22Å; F92-R103 PolarHBondContact O-NH1 3.37Å; F92-R103 VanDerWaalsContact O-NH1 3.13Å; F92-R103 PolarHBondContact O-NH2 3.47Å; R93-R103 PolarHBondContact O-NH2 2.91Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 VanDerWaalsContact O-CG 3.26Å; A99-R103 WeakPolarHBondContact O-CG 3.14Å; A99-R103 PolarHBondContact O-N 3Å; A99-R103 PolarHBondContact O-NE 2.77Å; M100-R103 PolarHBondContact O-N 3.27Å; M100-R103 PolarHBondContact SD-NH2 2.71Å; R103-A107 PolarHBondContact O-N 2.9Å; R103-Y198 PolarHBondContact NH1-OH 2.69Å
104	K	93	Very high	93.7	Very high	90 Å²	90	65 Å²	65	39%	0.391	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-44.6	174.3	-172.3	168.8	-177.4	165.4	0	110.6	M100 K101 I102 C106 A107 L108 E136	M100-K104 WeakPolarHBondContact O-CB 3.44Å; M100-K104 PolarHBondContact O-N 3.01Å; K101-K104 PolarHBondContact O-N 2.87Å; I102-K104 VanDerWaalsContact C-N 3.31Å; I102-K104 PolarHBondContact O-N 3.35Å; K104-C106 PolarHBondContact O-N 3.35Å; K104-A107 WeakPolarHBondContact O-CB 3.28Å; K104-A107 PolarHBondContact O-N 2.9Å; K104-A107 VanDerWaalsContact O-N 3.14Å; K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.25Å; K104-L108 VanDerWaalsContact O-N 3.08Å; K104-E136 IonicContact NZ-OE1 3.46Å
105	Q	94.3	Very high	94.2	Very high	112 Å²	112	65.3 Å²	65.3	52%	0.523	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-43.2	176.6	-169.9	61.8	25.4	0	0	112.3	K101 I102 A107 L108 V109	K101-Q105 PolarHBondContact O-N 2.94Å; I102-Q105 PolarHBondContact O-N 2.86Å; Q105-A107 VanDerWaalsContact C-N 3.25Å; Q105-A107 PolarHBondContact O-N 3.13Å; Q105-L108 PolarHBondContact O-N 3.14Å; Q105-L108 VanDerWaalsContact O-N 3.14Å; Q105-V109 WeakPolarHBondContact O-CG2 3.49Å; Q105-V109 PolarHBondContact O-N 3.08Å
106	C	95.1	Very high	94.5	Very high	9 Å²	9	63 Å²	63	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-38.2	175.5	-63.6	0	0	0	0	111.9	I102 K104 A110	I102-C106 PolarHBondContact O-N 2.93Å; I102-C106 PolarHBondContact O-SG 3.22Å; K104-C106 PolarHBondContact O-N 3.35Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.81Å; C106-A110 VanDerWaalsContact O-N 3.08Å
107	A	95.2	Very high	94.7	Very high	2 Å²	2	61.6 Å²	61.6	2%	0.017	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-44.2	175.6	0	0	0	0	0	111.8	L75 R103 K104 Q105 A110 L111 F128	L75-A107 HydrophobicContact CD2-CB 3.85Å; R103-A107 PolarHBondContact O-N 2.9Å; K104-A107 WeakPolarHBondContact O-CB 3.28Å; K104-A107 PolarHBondContact O-N 2.9Å; K104-A107 VanDerWaalsContact O-N 3.14Å; Q105-A107 VanDerWaalsContact C-N 3.25Å; Q105-A107 PolarHBondContact O-N 3.13Å; A107-A110 PolarHBondContact O-N 2.99Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.27Å; A107-F128 HydrophobicContact CB-CZ 4.49Å
108	L	95.5	Very high	95	Very high	73 Å²	73	54.2 Å²	54.2	38%	0.382	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-42.2	179.1	-66.5	174.3	0	0	0	112.3	K104 Q105 L111 Q112 L140	K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.25Å; K104-L108 VanDerWaalsContact O-N 3.08Å; Q105-L108 PolarHBondContact O-N 3.14Å; Q105-L108 VanDerWaalsContact O-N 3.14Å; L108-L111 PolarHBondContact O-N 3.39Å; L108-Q112 PolarHBondContact O-N 3.15Å; L108-L140 HydrophobicContact CD2-CD1 4.4Å; L108-L140 HydrophobicContact CD2-CD2 4.28Å
109	V	96.9	Very high	95.2	Very high	64 Å²	64	50.8 Å²	50.8	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-47.5	175.2	174.6	0	0	0	0	110.5	Y78 Q105 L111 Q112 D113	Y78-V109 HydrophobicContact CD1-CG1 4.07Å; Y78-V109 HydrophobicContact CE1-CG1 4.08Å; Q105-V109 WeakPolarHBondContact O-CG2 3.49Å; Q105-V109 PolarHBondContact O-N 3.08Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; V109-Q112 WeakPolarHBondContact O-CB 3.28Å; V109-Q112 PolarHBondContact O-N 3.4Å; V109-Q112 VanDerWaalsContact O-N 3.12Å; V109-D113 PolarHBondContact O-N 2.88Å; V109-D113 VanDerWaalsContact O-N 3.09Å
110	A	97.5	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-35.7	177.8	0	0	0	0	0	112.9	L75 Y78 C106 A107 Q112 D113 V114 F128	L75-A110 HydrophobicContact CD1-CB 3.51Å; Y78-A110 HydrophobicContact CD1-CB 4.24Å; Y78-A110 HydrophobicContact CD2-CB 3.95Å; Y78-A110 HydrophobicContact CE1-CB 4.09Å; Y78-A110 HydrophobicContact CE2-CB 3.8Å; Y78-A110 HydrophobicContact CG-CB 4.17Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.81Å; C106-A110 VanDerWaalsContact O-N 3.08Å; A107-A110 PolarHBondContact O-N 2.99Å; A110-Q112 VanDerWaalsContact C-N 3.33Å; A110-D113 PolarHBondContact O-N 3.44Å; A110-V114 VanDerWaalsContact O-CG2 3.32Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.38Å; A110-F128 HydrophobicContact CB-CE2 3.76Å; A110-F128 HydrophobicContact CB-CZ 4.45Å
111	L	97.8	Very high	95.7	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-37	173.7	-72.5	172.4	0	0	0	111.8	M41 A107 L108 V109 D113 V114 R115 F128 L140 F144	M41-L111 HydrophobicContact CE-CD2 3.46Å; M41-L111 VanDerWaalsContact CE-CD2 3.46Å; M41-L111 HydrophobicContact SD-CD2 4.25Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.27Å; L108-L111 PolarHBondContact O-N 3.39Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-V114 WeakPolarHBondContact O-CB 3.18Å; L111-V114 PolarHBondContact O-N 2.76Å; L111-R115 PolarHBondContact O-N 3.4Å; L111-F128 HydrophobicContact CD2-CD2 4.32Å; L111-F128 HydrophobicContact CD2-CE2 3.87Å; L111-F128 HydrophobicContact CD2-CZ 4.09Å; L111-F128 HydrophobicContact CG-CE2 4.07Å; L111-F128 HydrophobicContact CG-CZ 4.13Å; L111-L140 HydrophobicContact CD1-CD2 3.5Å; L111-F144 HydrophobicContact CB-CD2 4.16Å; L111-F144 HydrophobicContact CB-CE1 4.47Å; L111-F144 HydrophobicContact CB-CE2 3.99Å; L111-F144 HydrophobicContact CB-CG 4.47Å; L111-F144 HydrophobicContact CB-CZ 4.15Å; L111-F144 HydrophobicContact CD1-CG 4.39Å; L111-F144 HydrophobicContact CD2-CD1 3.78Å; L111-F144 HydrophobicContact CD2-CE1 3.94Å; L111-F144 HydrophobicContact CD2-CG 4.17Å; L111-F144 HydrophobicContact CD2-CZ 4.46Å; L111-F144 WeakPolarHBondContact O-CE2 3.43Å; L111-F144 WeakPolarHBondContact O-CZ 3.41Å
112	Q	97.3	Very high	95.7	Very high	89 Å²	89	53.5 Å²	53.5	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-42.1	174.1	-175.4	58.8	30.9	0	0	111.3	L108 V109 A110 V114 R115 V116	L108-Q112 PolarHBondContact O-N 3.15Å; V109-Q112 WeakPolarHBondContact O-CB 3.28Å; V109-Q112 PolarHBondContact O-N 3.4Å; V109-Q112 VanDerWaalsContact O-N 3.12Å; A110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-V114 VanDerWaalsContact C-N 3.32Å; Q112-V114 PolarHBondContact O-N 2.9Å; Q112-R115 WeakPolarHBondContact O-CB 3.45Å; Q112-R115 PolarHBondContact O-N 2.88Å; Q112-V116 WeakPolarHBondContact O-CG2 3.39Å; Q112-V116 PolarHBondContact O-N 3.46Å
113	D	98	Very high	95.9	Very high	61 Å²	61	51.3 Å²	51.3	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-34.5	175.6	-64.1	-11.4	0	0	0	112.1	F73 Y78 V109 A110 L111 R115 V116 Y117	F73-D113 HydrophobicContact CD1-CB 4.1Å; F73-D113 HydrophobicContact CE1-CB 3.73Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.45Å; Y78-D113 VanDerWaalsContact CZ-OD2 3.26Å; Y78-D113 PolarHBondContact OH-OD2 3.39Å; V109-D113 PolarHBondContact O-N 2.88Å; V109-D113 VanDerWaalsContact O-N 3.09Å; A110-D113 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact C-N 3.34Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-V116 PolarHBondContact O-N 3.37Å; D113-Y117 WeakPolarHBondContact O-CB 3.35Å; D113-Y117 PolarHBondContact O-N 3.32Å
114	V	98.1	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-45.4	171.5	165.9	0	0	0	0	110.6	M41 F73 A110 L111 Q112 Y117 L118 A126 F128 F144	M41-V114 HydrophobicContact SD-CG1 4.32Å; F73-V114 HydrophobicContact CB-CG2 4.21Å; F73-V114 HydrophobicContact CD1-CG2 3.84Å; F73-V114 HydrophobicContact CD2-CG2 3.55Å; F73-V114 HydrophobicContact CE1-CG2 4.06Å; F73-V114 HydrophobicContact CE2-CG2 3.79Å; F73-V114 HydrophobicContact CG-CG2 3.58Å; F73-V114 HydrophobicContact CZ-CG2 4.03Å; A110-V114 VanDerWaalsContact O-CG2 3.32Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.38Å; L111-V114 WeakPolarHBondContact O-CB 3.18Å; L111-V114 PolarHBondContact O-N 2.76Å; Q112-V114 VanDerWaalsContact C-N 3.32Å; Q112-V114 PolarHBondContact O-N 2.9Å; V114-Y117 PolarHBondContact O-N 2.83Å; V114-L118 HydrophobicContact CG1-CD1 3.89Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.42Å; V114-A126 HydrophobicContact CB-CB 4.4Å; V114-A126 HydrophobicContact CG1-CB 3.65Å; V114-A126 HydrophobicContact CG2-CB 4.1Å; V114-F128 HydrophobicContact CG2-CD2 4.17Å; V114-F144 HydrophobicContact CG1-CE1 4.12Å; V114-F144 HydrophobicContact CG1-CZ 4.39Å
115	R	97.3	Very high	96.4	Very high	101 Å²	101	47.7 Å²	47.7	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-55.1	176.9	179.2	-178.4	172.2	-178.3	2.6	110.3	L111 Q112 D113 Y117 L118 T119 F144 N148	L111-R115 PolarHBondContact O-N 3.4Å; Q112-R115 WeakPolarHBondContact O-CB 3.45Å; Q112-R115 PolarHBondContact O-N 2.88Å; D113-R115 VanDerWaalsContact C-N 3.34Å; R115-Y117 VanDerWaalsContact C-N 3.27Å; R115-Y117 PolarHBondContact O-N 3.07Å; R115-L118 PolarHBondContact O-N 3.33Å; R115-L118 VanDerWaalsContact O-N 3.15Å; R115-T119 HydrophobicContact CG-CG2 4.42Å; R115-T119 PolarHBondContact O-N 3Å; R115-T119 PolarHBondContact O-OG1 3.36Å; R115-F144 HydrophobicContact CB-CE2 4.2Å; R115-F144 HydrophobicContact CB-CZ 3.92Å; R115-N148 WeakPolarHBondContact CD-OD1 3.45Å; R115-N148 PolarHBondContact NE-OD1 3.2Å
116	V	98	Very high	96.6	Very high	35 Å²	35	42.4 Å²	42.4	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-54.4	-45.8	179.8	174	0	0	0	0	110.8	Q112 D113 L118 T119 E120 E121	Q112-V116 WeakPolarHBondContact O-CG2 3.39Å; Q112-V116 PolarHBondContact O-N 3.46Å; D113-V116 PolarHBondContact O-N 3.37Å; V116-L118 PolarHBondContact O-N 2.79Å; V116-T119 PolarHBondContact O-N 2.93Å; V116-E120 HydrophobicContact CG1-CB 4.31Å; V116-E120 WeakPolarHBondContact O-CA 3.41Å; V116-E120 VanDerWaalsContact O-CB 3.31Å; V116-E120 WeakPolarHBondContact O-CB 3.27Å; V116-E120 PolarHBondContact O-N 2.92Å; V116-E121 HydrophobicContact CG1-CG 4.35Å; V116-E121 PolarHBondContact O-N 3.21Å; V116-E121 VanDerWaalsContact O-N 3.13Å
117	Y	98.3	Very high	96.8	Very high	20 Å²	20	42 Å²	42	8%	0.078	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-45.8	179.1	176.6	-111.7	0	0	0	113.4	P69 T70 K71 F73 D113 V114 R115 E121 G123 I125 A126	P69-Y117 PolarHBondContact O-OH 3.27Å; T70-Y117 VanDerWaalsContact C-OH 3.31Å; T70-Y117 WeakPolarHBondContact CA-OH 3.39Å; T70-Y117 PolarHBondContact N-OH 2.68Å; T70-Y117 VanDerWaalsContact N-OH 3.16Å; K71-Y117 HydrophobicContact CB-CD1 4.06Å; K71-Y117 HydrophobicContact CB-CD2 4.29Å; K71-Y117 HydrophobicContact CB-CE1 3.58Å; K71-Y117 HydrophobicContact CB-CE2 3.85Å; K71-Y117 HydrophobicContact CB-CG 4.39Å; K71-Y117 VanDerWaalsContact CB-CZ 3.46Å; K71-Y117 HydrophobicContact CD-CD2 3.67Å; K71-Y117 HydrophobicContact CD-CE2 3.81Å; K71-Y117 HydrophobicContact CD-CG 4.05Å; F73-Y117 HydrophobicContact CE2-CD1 4.03Å; F73-Y117 HydrophobicContact CE2-CG 4.4Å; F73-Y117 HydrophobicContact CZ-CD1 4.03Å; F73-Y117 AromaticContact CZ-CG 3.93Å; F73-Y117 HydrophobicContact CZ-CG 3.93Å; D113-Y117 WeakPolarHBondContact O-CB 3.35Å; D113-Y117 PolarHBondContact O-N 3.32Å; V114-Y117 PolarHBondContact O-N 2.83Å; R115-Y117 VanDerWaalsContact C-N 3.27Å; R115-Y117 PolarHBondContact O-N 3.07Å; Y117-E121 HydrophobicContact CD2-CB 3.97Å; Y117-E121 WeakPolarHBondContact CD2-OE2 3.49Å; Y117-E121 PolarHBondContact O-N 3.45Å; Y117-G123 WeakPolarHBondContact O-CA 3.13Å; Y117-G123 PolarHBondContact O-N 3.08Å; Y117-I125 WeakPolarHBondContact CE1-O 3.4Å; Y117-A126 HydrophobicContact CD1-CB 4.43Å
118	L	96.4	Very high	96.9	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-78.6	-24.4	-176.3	-64.6	-178	0	0	0	113.6	P39 V114 R115 V116 A126 F150	P39-L118 HydrophobicContact CB-CB 4.04Å; P39-L118 HydrophobicContact CB-CD1 4.04Å; P39-L118 HydrophobicContact CB-CD2 4.13Å; P39-L118 HydrophobicContact CB-CG 4.29Å; V114-L118 HydrophobicContact CG1-CD1 3.89Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.42Å; R115-L118 PolarHBondContact O-N 3.33Å; R115-L118 VanDerWaalsContact O-N 3.15Å; V116-L118 PolarHBondContact O-N 2.79Å; L118-A126 HydrophobicContact CD1-CB 3.96Å; L118-A126 HydrophobicContact CD2-CB 4.07Å; L118-A126 HydrophobicContact CG-CB 4.11Å; L118-F150 HydrophobicContact CB-CE1 4.04Å; L118-F150 HydrophobicContact CB-CE2 4.47Å; L118-F150 HydrophobicContact CB-CZ 3.88Å; L118-F150 HydrophobicContact CD1-CD1 4.4Å; L118-F150 HydrophobicContact CD1-CD2 4Å; L118-F150 HydrophobicContact CD1-CE1 4.36Å; L118-F150 HydrophobicContact CD1-CE2 3.96Å; L118-F150 HydrophobicContact CD1-CG 4.23Å; L118-F150 HydrophobicContact CD1-CZ 4.14Å
119	T	95.1	Very high	97	Very high	75 Å²	75	38.6 Å²	38.6	46%	0.46	20%	0.204	S	C	.	.	H	α-helix	trans	-104.4	-32.2	-177.5	60	0	0	0	0	114.1	R115 V116 F150	R115-T119 HydrophobicContact CG-CG2 4.42Å; R115-T119 PolarHBondContact O-N 3Å; R115-T119 PolarHBondContact O-OG1 3.36Å; V116-T119 PolarHBondContact O-N 2.93Å; T119-F150 HydrophobicContact CG2-CE1 3.93Å; T119-F150 HydrophobicContact CG2-CZ 3.79Å
120	E	95.4	Very high	96.9	Very high	141 Å²	141	36.1 Å²	36.1	66%	0.659	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-39	-170.6	-59	174.7	-148.4	0	0	112.6	V116 G122	V116-E120 HydrophobicContact CG1-CB 4.31Å; V116-E120 WeakPolarHBondContact O-CA 3.41Å; V116-E120 VanDerWaalsContact O-CB 3.31Å; V116-E120 WeakPolarHBondContact O-CB 3.27Å; V116-E120 PolarHBondContact O-N 2.92Å; E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 3.14Å
121	E	95.2	Very high	96.8	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.514	20%	0.198	S	C	.	.	S	Bend	trans	-86.3	-1.9	-177.2	-57.3	178.7	-158.8	0	0	113.7	K71 V116 Y117 G123	K71-E121 IonicContact NZ-OE2 2.99Å; K71-E121 PolarHBondContact NZ-OE2 3.28Å; V116-E121 HydrophobicContact CG1-CG 4.35Å; V116-E121 PolarHBondContact O-N 3.21Å; V116-E121 VanDerWaalsContact O-N 3.13Å; Y117-E121 HydrophobicContact CD2-CB 3.97Å; Y117-E121 WeakPolarHBondContact CD2-OE2 3.49Å; Y117-E121 PolarHBondContact O-N 3.45Å; E121-G123 VanDerWaalsContact C-N 3.33Å
122	G	92.3	Very high	96.8	Very high	47 Å²	47	37.3 Å²	37.3	49%	0.485	20%	0.197	S	C	.	.			trans	75.4	18.1	-179	0	0	0	0	0	114.7	E120	E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 3.14Å
123	G	95.6	Very high	96.8	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	18%	0.179	C	C	.	.			trans	-64.9	145.2	172.3	0	0	0	0	0	112.7	Y117 E121	Y117-G123 WeakPolarHBondContact O-CA 3.13Å; Y117-G123 PolarHBondContact O-N 3.08Å; E121-G123 VanDerWaalsContact C-N 3.33Å
124	Q	96.7	Very high	96.8	Very high	42 Å²	42	32.1 Å²	32.1	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	-107.3	-33.6	176.5	-70.9	-173.6	-15.8	0	0	112.3	S33 T36 P39 T40 V68 P69	S33-Q124 VanDerWaalsContact OG-CD 3.28Å; S33-Q124 PolarHBondContact OG-NE2 2.88Å; S33-Q124 PolarHBondContact OG-OE1 3.4Å; T36-Q124 HydrophobicContact CG2-CB 4.12Å; P39-Q124 CarbonylContact C-O 3.52Å; P39-Q124 VanDerWaalsContact CA-O 3.27Å; P39-Q124 WeakPolarHBondContact CA-O 3.44Å; T40-Q124 PolarHBondContact N-O 3.32Å; V68-Q124 HydrophobicContact CG1-CB 4.1Å; P69-Q124 PolarHBondContact O-N 3.34Å
125	I	98.4	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.1	-179.5	-58.9	176.7	0	0	0	111.5	T40 I42 L63 V68 P69 T70 K71 Y117 V127 I235	T40-I125 VanDerWaalsContact O-CA 3.26Å; T40-I125 WeakPolarHBondContact O-CA 3.31Å; I42-I125 HydrophobicContact CD1-CG2 3.63Å; I42-I125 HydrophobicContact CG1-CG2 3.82Å; L63-I125 HydrophobicContact CD1-CD1 3.82Å; L63-I125 HydrophobicContact CD1-CG2 4.28Å; L63-I125 HydrophobicContact CD2-CD1 4.03Å; L63-I125 HydrophobicContact CG-CD1 4.45Å; V68-I125 HydrophobicContact CG1-CD1 3.5Å; V68-I125 HydrophobicContact CG1-CG1 3.89Å; P69-I125 PolarHBondContact O-N 3.2Å; T70-I125 VanDerWaalsContact CA-O 3.26Å; T70-I125 WeakPolarHBondContact CA-O 3.45Å; T70-I125 HydrophobicContact CG2-CB 3.9Å; T70-I125 HydrophobicContact CG2-CG2 3.85Å; K71-I125 PolarHBondContact N-O 3.38Å; K71-I125 VanDerWaalsContact N-O 3.11Å; Y117-I125 WeakPolarHBondContact CE1-O 3.4Å; I125-V127 HydrophobicContact CG2-CG2 4.42Å; I125-I235 HydrophobicContact CD1-CD1 4.23Å; I125-I235 HydrophobicContact CD1-CG1 3.63Å
126	A	98.6	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	171.7	0	0	0	0	0	110.2	T40 M41 I42 F73 V114 Y117 L118	T40-A126 PolarHBondContact O-N 3.37Å; M41-A126 CarbonylContact C-O 3.57Å; M41-A126 WeakPolarHBondContact CA-O 3.01Å; I42-A126 PolarHBondContact N-O 2.9Å; F73-A126 HydrophobicContact CD2-CB 4.05Å; F73-A126 HydrophobicContact CE2-CB 3.71Å; V114-A126 HydrophobicContact CB-CB 4.4Å; V114-A126 HydrophobicContact CG1-CB 3.65Å; V114-A126 HydrophobicContact CG2-CB 4.1Å; Y117-A126 HydrophobicContact CD1-CB 4.43Å; L118-A126 HydrophobicContact CD1-CB 3.96Å; L118-A126 HydrophobicContact CD2-CB 4.07Å; L118-A126 HydrophobicContact CG-CB 4.11Å
127	V	98.6	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.5	175.1	-175.4	0	0	0	0	109.5	I42 M44 T60 T70 K71 V72 F73 I125 D129	I42-V127 HydrophobicContact CB-CG2 4.24Å; I42-V127 HydrophobicContact CD1-CG2 4.23Å; I42-V127 HydrophobicContact CG2-CG1 4.45Å; I42-V127 CarbonylContact O-C 3.52Å; M44-V127 HydrophobicContact CG-CG1 4.21Å; M44-V127 HydrophobicContact SD-CG1 4.18Å; T60-V127 WeakPolarHBondContact OG1-CG2 3.36Å; T70-V127 HydrophobicContact CG2-CG2 3.86Å; K71-V127 PolarHBondContact O-N 3.22Å; V72-V127 CarbonylContact C-O 3.59Å; V72-V127 WeakPolarHBondContact CA-O 3.02Å; V72-V127 HydrophobicContact CG2-CB 4.23Å; F73-V127 PolarHBondContact N-O 3.1Å; I125-V127 HydrophobicContact CG2-CG2 4.42Å; V127-D129 PolarHBondContact O-N 3.1Å
128	F	98.3	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	94.9	-179.8	-164	-104.1	0	0	0	110.6	M41 I42 M44 F73 L75 A107 A110 L111 V114 A130 I141	M41-F128 HydrophobicContact CE-CB 3.34Å; M41-F128 HydrophobicContact CE-CD1 3.89Å; M41-F128 HydrophobicContact CE-CD2 3.59Å; M41-F128 HydrophobicContact CE-CE2 4.3Å; M41-F128 HydrophobicContact CE-CG 3.34Å; I42-F128 PolarHBondContact O-N 3.15Å; M44-F128 PolarHBondContact N-O 3.39Å; M44-F128 VanDerWaalsContact N-O 3.08Å; F73-F128 HydrophobicContact CB-CD2 4.27Å; L75-F128 HydrophobicContact CD1-CD2 4.39Å; L75-F128 HydrophobicContact CD1-CE1 4.05Å; L75-F128 HydrophobicContact CD1-CE2 3.58Å; L75-F128 HydrophobicContact CD1-CZ 3.38Å; L75-F128 HydrophobicContact CD2-CE1 4.39Å; L75-F128 HydrophobicContact CD2-CZ 4.21Å; L75-F128 HydrophobicContact CG-CZ 4.45Å; A107-F128 HydrophobicContact CB-CZ 4.49Å; A110-F128 HydrophobicContact CB-CE2 3.76Å; A110-F128 HydrophobicContact CB-CZ 4.45Å; L111-F128 HydrophobicContact CD2-CD2 4.32Å; L111-F128 HydrophobicContact CD2-CE2 3.87Å; L111-F128 HydrophobicContact CD2-CZ 4.09Å; L111-F128 HydrophobicContact CG-CE2 4.07Å; L111-F128 HydrophobicContact CG-CZ 4.13Å; V114-F128 HydrophobicContact CG2-CD2 4.17Å; F128-A130 HydrophobicContact CD1-CB 4.49Å; F128-A130 HydrophobicContact CE1-CB 4.29Å; F128-A130 PolarHBondContact O-N 3.39Å; F128-I141 HydrophobicContact CD1-CD1 4.05Å; F128-I141 HydrophobicContact CE1-CD1 3.87Å
129	D	97.4	Very high	96.6	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	97.6	-176.1	179.1	22.1	0	0	0	111.2	M44 T53 V72 F73 N74 L75 V127	M44-D129 HydrophobicContact CG-CB 4.34Å; T53-D129 VanDerWaalsContact CA-OD2 3.28Å; T53-D129 WeakPolarHBondContact CA-OD2 3.22Å; T53-D129 VanDerWaalsContact CB-OD2 3.27Å; T53-D129 WeakPolarHBondContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D129 PolarHBondContact OG1-OD2 3.19Å; V72-D129 HydrophobicContact CG1-CB 4.02Å; F73-D129 PolarHBondContact O-N 2.84Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å; L75-D129 PolarHBondContact N-O 2.93Å; V127-D129 PolarHBondContact O-N 3.1Å
130	A	95.6	Very high	96.6	Very high	11 Å²	11	36.6 Å²	36.6	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-147.5	-179.6	173.6	0	0	0	0	0	110.8	K52 L75 F128	K52-A130 WeakPolarHBondContact CD-O 3.42Å; K52-A130 WeakPolarHBondContact CE-O 3.49Å; L75-A130 HydrophobicContact CB-CB 3.87Å; L75-A130 HydrophobicContact CD2-CB 3.65Å; L75-A130 HydrophobicContact CG-CB 4.23Å; F128-A130 HydrophobicContact CD1-CB 4.49Å; F128-A130 HydrophobicContact CE1-CB 4.29Å; F128-A130 PolarHBondContact O-N 3.39Å
131	T	95.3	Very high	96.7	Very high	29 Å²	29	29.9 Å²	29.9	18%	0.178	16%	0.159	C	C	.	.			trans	-73.6	-42.2	176.7	51.5	0	0	0	0	112.5	I45 G46 P48 T133 Y198	I45-T131 CarbonylContact C-O 3.55Å; I45-T131 WeakPolarHBondContact CA-O 3.41Å; G46-T131 PolarHBondContact N-O 3.27Å; P48-T131 HydrophobicContact CG-CG2 4.37Å; T131-T133 WeakPolarHBondContact O-CG2 3.26Å; T131-T133 PolarHBondContact O-N 3.31Å; T131-Y198 HydrophobicContact CG2-CD1 4.18Å; T131-Y198 HydrophobicContact CG2-CE1 3.9Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.29Å
132	N	97.4	Very high	96.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.147	C	C	.	.			trans	43.7	37.4	178.4	-57.3	-39.8	0	0	0	114.2	V43 M44 I45 T134 R137 R138	V43-N132 HydrophobicContact CG1-CB 4.35Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.46Å; M44-N132 WeakPolarHBondContact O-CB 3.34Å; M44-N132 PolarHBondContact O-ND2 2.9Å; I45-N132 HydrophobicContact CG1-CB 4.1Å; N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.02Å; N132-R137 HydrophobicContact CB-CG 4.42Å; N132-R137 WeakPolarHBondContact OD1-CG 3.35Å; N132-R138 PolarHBondContact O-NH1 3.01Å
133	T	96.8	Very high	97	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.037	15%	0.147	C	C	.	.			trans	-77	-15.4	-169.6	43.5	0	0	0	0	113.9	L47 T131 R138 Y202 Q203	L47-T133 HydrophobicContact CD2-CG2 4.28Å; T131-T133 WeakPolarHBondContact O-CG2 3.26Å; T131-T133 PolarHBondContact O-N 3.31Å; T133-R138 PolarHBondContact O-NH1 3.01Å; T133-Y202 HydrophobicContact CG2-CD2 3.53Å; T133-Y202 HydrophobicContact CG2-CE2 3.91Å; T133-Y202 HydrophobicContact CG2-CG 4.15Å; T133-Q203 PolarHBondContact O-N 2.96Å
134	T	97.1	Very high	97.1	Very high	35 Å²	35	28.7 Å²	28.7	22%	0.215	15%	0.149	C	C	.	.	S	Bend	trans	-105	147.6	-179.2	65.6	0	0	0	0	111.5	N132 R137 R138	N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.02Å; T134-R137 PolarHBondContact O-N 3.07Å; T134-R137 WeakPolarHBondContact OG1-CB 3.49Å; T134-R137 PolarHBondContact OG1-N 2.99Å; T134-R138 PolarHBondContact O-N 3.39Å
135	R	97.1	Very high	97.1	Very high	66 Å²	66	27 Å²	27	25%	0.249	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-45.4	174.4	-71.4	173.9	179	178.6	0.2	111.6	R137 R138 D139 Q203 D206 Y210	R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.14Å; R135-R137 VanDerWaalsContact O-N 3.15Å; R135-R138 CarbonylContact O-C 3.53Å; R135-R138 WeakPolarHBondContact O-CA 3.35Å; R135-R138 WeakPolarHBondContact O-CB 3.44Å; R135-R138 PolarHBondContact O-N 2.85Å; R135-D139 VanDerWaalsContact O-CG 3.24Å; R135-D139 PolarHBondContact O-N 3.22Å; R135-Q203 HydrophobicContact CG-CB 4.2Å; R135-D206 IonicContact NH2-OD2 3.56Å; R135-Y210 HydrophobicContact CB-CE1 4.06Å; R135-Y210 HydrophobicContact CG-CD1 4.04Å; R135-Y210 HydrophobicContact CG-CE1 3.75Å
136	E	96.1	Very high	96.9	Very high	131 Å²	131	35.4 Å²	35.4	61%	0.612	18%	0.178	S	C	*	.	H	α-helix	trans	-51.8	-42.8	177	-171	-157.3	155	0	0	112.6	K104 L140	K104-E136 IonicContact NZ-OE1 3.46Å; E136-L140 PolarHBondContact O-N 3.18Å; E136-L140 VanDerWaalsContact O-N 3.1Å
137	R	96	Very high	96.9	Very high	39 Å²	39	43 Å²	43	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-40.8	177.6	178.3	57.5	61.4	84.1	3.5	111.6	N132 T134 R135 L140 I141	N132-R137 HydrophobicContact CB-CG 4.42Å; N132-R137 WeakPolarHBondContact OD1-CG 3.35Å; T134-R137 PolarHBondContact O-N 3.07Å; T134-R137 WeakPolarHBondContact OG1-CB 3.49Å; T134-R137 PolarHBondContact OG1-N 2.99Å; R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.14Å; R135-R137 VanDerWaalsContact O-N 3.15Å; R137-L140 PolarHBondContact O-N 2.88Å; R137-I141 HydrophobicContact CG-CD1 4.3Å; R137-I141 WeakPolarHBondContact O-CG1 3.27Å; R137-I141 PolarHBondContact O-N 2.86Å
138	R	97.7	Very high	96.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-39.2	178.9	-64.4	-168.2	-63.3	-97.4	15.2	111	I45 N132 T133 T134 R135 L140 I141 Q142 F154 Q203 D211	I45-R138 VanDerWaalsContact CD1-CD 3.48Å; N132-R138 PolarHBondContact O-NH1 3.01Å; T133-R138 PolarHBondContact O-NH1 3.01Å; T134-R138 PolarHBondContact O-N 3.39Å; R135-R138 CarbonylContact O-C 3.53Å; R135-R138 WeakPolarHBondContact O-CA 3.35Å; R135-R138 WeakPolarHBondContact O-CB 3.44Å; R135-R138 PolarHBondContact O-N 2.85Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.42Å; R138-I141 PolarHBondContact O-N 3.03Å; R138-I141 VanDerWaalsContact O-N 3.13Å; R138-Q142 WeakPolarHBondContact O-CG 3.36Å; R138-Q142 PolarHBondContact O-N 3.38Å; R138-F154 HydrophobicContact CB-CE1 4.39Å; R138-F154 HydrophobicContact CG-CE1 4.35Å; R138-Q203 PolarHBondContact NH1-O 3.35Å; R138-Q203 PolarHBondContact NH2-O 3.01Å; R138-D211 IonicContact NH2-OD2 2.78Å
139	D	97	Very high	96.6	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-39	176.5	-61.4	-27.2	0	0	0	111.8	R135 I141 Q142 A143 Y210	R135-D139 VanDerWaalsContact O-CG 3.24Å; R135-D139 PolarHBondContact O-N 3.22Å; D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.17Å; D139-Q142 PolarHBondContact O-N 2.91Å; D139-Q142 PolarHBondContact OD1-NE2 2.99Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.3Å; D139-Y210 PolarHBondContact OD1-OH 3.47Å; D139-Y210 PolarHBondContact OD2-OH 3.25Å
140	L	96.6	Very high	96.5	Very high	43 Å²	43	48 Å²	48	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-44.9	171.5	-176.9	158	0	0	0	111.5	L108 L111 E136 R137 R138 A143 F144	L108-L140 HydrophobicContact CD2-CD1 4.4Å; L108-L140 HydrophobicContact CD2-CD2 4.28Å; L111-L140 HydrophobicContact CD1-CD2 3.5Å; E136-L140 PolarHBondContact O-N 3.18Å; E136-L140 VanDerWaalsContact O-N 3.1Å; R137-L140 PolarHBondContact O-N 2.88Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.42Å; L140-A143 PolarHBondContact O-N 3.34Å; L140-F144 PolarHBondContact O-N 3.39Å; L140-F144 VanDerWaalsContact O-N 3.1Å
141	I	97.3	Very high	96.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-41.5	178.3	-64.4	165.7	0	0	0	110.6	M41 V43 F128 R137 R138 D139 A143 F144 V145	M41-I141 HydrophobicContact CE-CG2 3.73Å; M41-I141 HydrophobicContact SD-CG2 3.86Å; V43-I141 HydrophobicContact CG1-CD1 3.92Å; V43-I141 HydrophobicContact CG2-CG2 3.75Å; F128-I141 HydrophobicContact CD1-CD1 4.05Å; F128-I141 HydrophobicContact CE1-CD1 3.87Å; R137-I141 HydrophobicContact CG-CD1 4.3Å; R137-I141 WeakPolarHBondContact O-CG1 3.27Å; R137-I141 PolarHBondContact O-N 2.86Å; R138-I141 PolarHBondContact O-N 3.03Å; R138-I141 VanDerWaalsContact O-N 3.13Å; D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.17Å; I141-A143 PolarHBondContact O-N 2.67Å; I141-F144 WeakPolarHBondContact O-CB 3.46Å; I141-F144 PolarHBondContact O-N 3.3Å; I141-V145 HydrophobicContact CG2-CG2 4.29Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.38Å; I141-V145 PolarHBondContact O-N 3.24Å
142	Q	97.2	Very high	96.7	Very high	54 Å²	54	49.5 Å²	49.5	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.4	-72.9	-171.4	76.6	0	0	112.1	R138 D139 V145 K146 F154	R138-Q142 WeakPolarHBondContact O-CG 3.36Å; R138-Q142 PolarHBondContact O-N 3.38Å; D139-Q142 PolarHBondContact O-N 2.91Å; D139-Q142 PolarHBondContact OD1-NE2 2.99Å; Q142-V145 PolarHBondContact O-N 3.29Å; Q142-K146 WeakPolarHBondContact O-CB 3.42Å; Q142-K146 PolarHBondContact O-N 2.88Å; Q142-F154 HydrophobicContact CG-CZ 3.98Å
143	A	97.3	Very high	96.8	Very high	59 Å²	59	49.4 Å²	49.4	49%	0.488	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-46.2	175.2	0	0	0	0	0	111.3	D139 L140 I141 K146 E147	D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.3Å; L140-A143 PolarHBondContact O-N 3.34Å; I141-A143 PolarHBondContact O-N 2.67Å; A143-K146 PolarHBondContact O-N 3.06Å; A143-E147 WeakPolarHBondContact O-CB 3.06Å; A143-E147 PolarHBondContact O-N 3.33Å
144	F	97.4	Very high	96.9	Very high	23 Å²	23	49.1 Å²	49.1	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-46.4	175.4	168.2	-92.2	0	0	0	112.6	M41 L111 V114 R115 L140 I141 K146 E147 N148 F150	M41-F144 HydrophobicContact SD-CD1 4.27Å; M41-F144 HydrophobicContact SD-CE1 4.22Å; L111-F144 HydrophobicContact CB-CD2 4.16Å; L111-F144 HydrophobicContact CB-CE1 4.47Å; L111-F144 HydrophobicContact CB-CE2 3.99Å; L111-F144 HydrophobicContact CB-CG 4.47Å; L111-F144 HydrophobicContact CB-CZ 4.15Å; L111-F144 HydrophobicContact CD1-CG 4.39Å; L111-F144 HydrophobicContact CD2-CD1 3.78Å; L111-F144 HydrophobicContact CD2-CE1 3.94Å; L111-F144 HydrophobicContact CD2-CG 4.17Å; L111-F144 HydrophobicContact CD2-CZ 4.46Å; L111-F144 WeakPolarHBondContact O-CE2 3.43Å; L111-F144 WeakPolarHBondContact O-CZ 3.41Å; V114-F144 HydrophobicContact CG1-CE1 4.12Å; V114-F144 HydrophobicContact CG1-CZ 4.39Å; R115-F144 HydrophobicContact CB-CE2 4.2Å; R115-F144 HydrophobicContact CB-CZ 3.92Å; L140-F144 PolarHBondContact O-N 3.39Å; L140-F144 VanDerWaalsContact O-N 3.1Å; I141-F144 WeakPolarHBondContact O-CB 3.46Å; I141-F144 PolarHBondContact O-N 3.3Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.35Å; F144-E147 PolarHBondContact O-N 3.45Å; F144-N148 PolarHBondContact O-N 3.03Å; F144-N148 PolarHBondContact O-ND2 2.99Å; F144-F150 HydrophobicContact CE1-CD2 4.17Å; F144-F150 HydrophobicContact CE1-CE2 4.04Å; F144-F150 HydrophobicContact CZ-CE2 4.16Å
145	V	96.1	Very high	96.9	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-45.2	177.9	164.8	0	0	0	0	110.5	M41 I141 Q142 N148 G149 F150 V152	M41-V145 HydrophobicContact CB-CG2 4.14Å; M41-V145 HydrophobicContact SD-CG2 3.73Å; I141-V145 HydrophobicContact CG2-CG2 4.29Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.38Å; I141-V145 PolarHBondContact O-N 3.24Å; Q142-V145 PolarHBondContact O-N 3.29Å; V145-N148 PolarHBondContact O-N 3.34Å; V145-G149 PolarHBondContact O-N 3.36Å; V145-G149 VanDerWaalsContact O-N 3.09Å; V145-F150 HydrophobicContact CB-CB 4.49Å; V145-F150 HydrophobicContact CG1-CB 3.92Å; V145-F150 WeakPolarHBondContact CG1-O 3.16Å; V145-F150 PolarHBondContact O-N 3.15Å; V145-V152 HydrophobicContact CG1-CB 3.98Å; V145-V152 HydrophobicContact CG1-CG1 4.37Å; V145-V152 HydrophobicContact CG2-CB 4.23Å
146	K	95.1	Very high	97	Very high	177 Å²	177	44.4 Å²	44.4	77%	0.77	23%	0.233	S	C	*	.	H	α-helix	trans	-64.2	-43.2	179.6	-174.7	178.9	-179.6	-179.7	0	112.1	Q142 A143 F144 N148 G149	Q142-K146 WeakPolarHBondContact O-CB 3.42Å; Q142-K146 PolarHBondContact O-N 2.88Å; A143-K146 PolarHBondContact O-N 3.06Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.35Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 3.31Å; K146-G149 PolarHBondContact O-N 3.09Å
147	E	96.8	Very high	97	Very high	160 Å²	160	38.5 Å²	38.5	75%	0.748	21%	0.206	S	C	*	.	H	α-helix	trans	-60.9	-36.5	178.5	-174.9	-178.9	176.6	0	0	112.3	A143 F144	A143-E147 WeakPolarHBondContact O-CB 3.06Å; A143-E147 PolarHBondContact O-N 3.33Å; F144-E147 PolarHBondContact O-N 3.45Å
148	N	95.8	Very high	96.9	Very high	35 Å²	35	37.9 Å²	37.9	19%	0.187	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1	-178.2	-66.8	-86.3	0	0	0	113.9	R115 F144 V145 K146 F150	R115-N148 WeakPolarHBondContact CD-OD1 3.45Å; R115-N148 PolarHBondContact NE-OD1 3.2Å; F144-N148 PolarHBondContact O-N 3.03Å; F144-N148 PolarHBondContact O-ND2 2.99Å; V145-N148 PolarHBondContact O-N 3.34Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 3.31Å; N148-F150 VanDerWaalsContact C-N 3.28Å; N148-F150 HydrophobicContact CB-CD1 4.16Å; N148-F150 HydrophobicContact CB-CD2 3.65Å; N148-F150 HydrophobicContact CB-CE1 3.9Å; N148-F150 HydrophobicContact CB-CE2 3.35Å; N148-F150 HydrophobicContact CB-CG 4.05Å; N148-F150 HydrophobicContact CB-CZ 3.49Å; N148-F150 VanDerWaalsContact CB-CZ 3.49Å; N148-F150 WeakPolarHBondContact O-CD1 3.07Å; N148-F150 PolarHBondContact O-N 2.91Å
149	G	95	Very high	96.6	Very high	56 Å²	56	38 Å²	38	58%	0.577	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	26.7	-178.9	0	0	0	0	0	114.2	V145 K146	V145-G149 PolarHBondContact O-N 3.36Å; V145-G149 VanDerWaalsContact O-N 3.09Å; K146-G149 PolarHBondContact O-N 3.09Å
150	F	96.6	Very high	96.2	Very high	19 Å²	19	41 Å²	41	8%	0.083	22%	0.223	C	C	.	.			trans	-85.3	164.1	175.7	-55.7	-29.5	0	0	0	111.1	P39 L118 T119 F144 V145 N148	P39-F150 HydrophobicContact CB-CD1 3.93Å; P39-F150 HydrophobicContact CB-CE1 4.3Å; P39-F150 HydrophobicContact CG-CD1 4.33Å; P39-F150 HydrophobicContact CG-CE1 4.48Å; L118-F150 HydrophobicContact CB-CE1 4.04Å; L118-F150 HydrophobicContact CB-CE2 4.47Å; L118-F150 HydrophobicContact CB-CZ 3.88Å; L118-F150 HydrophobicContact CD1-CD1 4.4Å; L118-F150 HydrophobicContact CD1-CD2 4Å; L118-F150 HydrophobicContact CD1-CE1 4.36Å; L118-F150 HydrophobicContact CD1-CE2 3.96Å; L118-F150 HydrophobicContact CD1-CG 4.23Å; L118-F150 HydrophobicContact CD1-CZ 4.14Å; T119-F150 HydrophobicContact CG2-CE1 3.93Å; T119-F150 HydrophobicContact CG2-CZ 3.79Å; F144-F150 HydrophobicContact CE1-CD2 4.17Å; F144-F150 HydrophobicContact CE1-CE2 4.04Å; F144-F150 HydrophobicContact CZ-CE2 4.16Å; V145-F150 HydrophobicContact CB-CB 4.49Å; V145-F150 HydrophobicContact CG1-CB 3.92Å; V145-F150 WeakPolarHBondContact CG1-O 3.16Å; V145-F150 PolarHBondContact O-N 3.15Å; N148-F150 VanDerWaalsContact C-N 3.28Å; N148-F150 HydrophobicContact CB-CD1 4.16Å; N148-F150 HydrophobicContact CB-CD2 3.65Å; N148-F150 HydrophobicContact CB-CE1 3.9Å; N148-F150 HydrophobicContact CB-CE2 3.35Å; N148-F150 HydrophobicContact CB-CG 4.05Å; N148-F150 HydrophobicContact CB-CZ 3.49Å; N148-F150 VanDerWaalsContact CB-CZ 3.49Å; N148-F150 WeakPolarHBondContact O-CD1 3.07Å; N148-F150 PolarHBondContact O-N 2.91Å
151	K	96.9	Very high	95.7	Very high	50 Å²	50	41.4 Å²	41.4	22%	0.217	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.3	164.1	-67.5	176.2	175	177.8	0	110.2	P39 T40 M41 D233	P39-K151 PolarHBondContact O-N 2.97Å; T40-K151 HydrophobicContact CG2-CB 4.25Å; M41-K151 PolarHBondContact N-O 2.86Å; K151-D233 WeakPolarHBondContact CD-OD2 3.33Å; K151-D233 IonicContact NZ-OD2 2.78Å; K151-D233 PolarHBondContact NZ-OD2 2.78Å
152	V	97.6	Very high	95.2	Very high	21 Å²	21	45.6 Å²	45.6	13%	0.127	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.8	173	62.8	0	0	0	0	110.8	M41 V43 V145 F154	M41-V152 WeakPolarHBondContact O-CA 3.43Å; V43-V152 HydrophobicContact CG2-CG2 3.74Å; V145-V152 HydrophobicContact CG1-CB 3.98Å; V145-V152 HydrophobicContact CG1-CG1 4.37Å; V145-V152 HydrophobicContact CG2-CB 4.23Å; V152-F154 HydrophobicContact CB-CE2 4.47Å; V152-F154 HydrophobicContact CG1-CE2 4Å; V152-F154 HydrophobicContact CG1-CZ 4.44Å; V152-F154 HydrophobicContact CG2-CD2 4.15Å; V152-F154 HydrophobicContact CG2-CE1 4.07Å; V152-F154 HydrophobicContact CG2-CE2 3.64Å; V152-F154 HydrophobicContact CG2-CZ 3.6Å
153	F	98.6	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.6	171.9	-173.8	-108.8	0	0	0	109.6	T40 M41 I42 V43 V155 S215 I217 Q236 I239 V240	T40-F153 HydrophobicContact CG2-CB 4.42Å; M41-F153 PolarHBondContact O-N 3.09Å; I42-F153 CarbonylContact C-O 3.53Å; I42-F153 VanDerWaalsContact CA-O 3.27Å; I42-F153 WeakPolarHBondContact CA-O 3.3Å; V43-F153 PolarHBondContact N-O 3.41Å; F153-V155 HydrophobicContact CD1-CG2 4.07Å; F153-V155 HydrophobicContact CE1-CG2 4Å; F153-S215 WeakPolarHBondContact CA-O 3.35Å; F153-I217 HydrophobicContact CE1-CB 4.5Å; F153-I217 HydrophobicContact CE1-CG2 3.68Å; F153-I217 HydrophobicContact CZ-CB 4.08Å; F153-I217 HydrophobicContact CZ-CG2 3.76Å; F153-Q236 HydrophobicContact CB-CG 4.11Å; F153-Q236 HydrophobicContact CD2-CB 4.15Å; F153-Q236 HydrophobicContact CD2-CG 3.73Å; F153-Q236 HydrophobicContact CE2-CB 4.26Å; F153-Q236 HydrophobicContact CE2-CG 4.34Å; F153-Q236 HydrophobicContact CG-CG 3.92Å; F153-I239 HydrophobicContact CD1-CG2 4.13Å; F153-I239 HydrophobicContact CE1-CB 4.44Å; F153-I239 HydrophobicContact CE1-CG2 3.76Å; F153-V240 HydrophobicContact CE1-CG2 4.42Å; F153-V240 HydrophobicContact CE2-CG2 4.49Å; F153-V240 HydrophobicContact CZ-CG2 3.68Å
154	F	98.7	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.5	-177.8	-58.3	-90.8	0	0	0	111.7	V43 I45 R138 Q142 V152 L205 L214 S215 F216 I217	V43-F154 HydrophobicContact CB-CD1 3.51Å; V43-F154 HydrophobicContact CB-CE1 3.79Å; V43-F154 HydrophobicContact CB-CG 4.41Å; V43-F154 HydrophobicContact CG1-CD1 3.71Å; V43-F154 HydrophobicContact CG1-CE1 3.79Å; V43-F154 HydrophobicContact CG2-CD1 4.27Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.5Å; I45-F154 HydrophobicContact CD1-CB 3.86Å; I45-F154 HydrophobicContact CD1-CD1 3.6Å; I45-F154 HydrophobicContact CD1-CE1 4.5Å; I45-F154 HydrophobicContact CD1-CG 4.05Å; I45-F154 HydrophobicContact CG1-CD1 4.28Å; R138-F154 HydrophobicContact CB-CE1 4.39Å; R138-F154 HydrophobicContact CG-CE1 4.35Å; Q142-F154 HydrophobicContact CG-CZ 3.98Å; V152-F154 HydrophobicContact CB-CE2 4.47Å; V152-F154 HydrophobicContact CG1-CE2 4Å; V152-F154 HydrophobicContact CG1-CZ 4.44Å; V152-F154 HydrophobicContact CG2-CD2 4.15Å; V152-F154 HydrophobicContact CG2-CE1 4.07Å; V152-F154 HydrophobicContact CG2-CE2 3.64Å; V152-F154 HydrophobicContact CG2-CZ 3.6Å; F154-L205 HydrophobicContact CB-CD1 4.05Å; F154-L214 HydrophobicContact CD2-CB 4.37Å; F154-L214 HydrophobicContact CD2-CD1 4.29Å; F154-L214 HydrophobicContact CE2-CB 4.35Å; F154-L214 HydrophobicContact CE2-CD1 3.85Å; F154-L214 HydrophobicContact CE2-CD2 4.42Å; F154-L214 HydrophobicContact CE2-CG 4.44Å; F154-L214 HydrophobicContact CZ-CD1 4.41Å; F154-S215 PolarHBondContact N-O 2.81Å; F154-F216 HydrophobicContact CB-CB 3.7Å; F154-F216 CarbonylContact O-C 3.53Å; F154-F216 WeakPolarHBondContact O-CA 3.35Å; F154-F216 WeakPolarHBondContact O-CB 3.06Å; F154-I217 PolarHBondContact O-N 3.48Å
155	V	98.5	Very high	93.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	101.4	174	179.9	0	0	0	0	108	I42 V43 M44 I45 F153 I217 L243	I42-V155 HydrophobicContact CG2-CG2 3.72Å; V43-V155 PolarHBondContact O-N 2.7Å; M44-V155 CarbonylContact C-O 3.56Å; M44-V155 WeakPolarHBondContact CA-O 3.49Å; M44-V155 HydrophobicContact CE-CB 4.02Å; M44-V155 HydrophobicContact CE-CG1 3.75Å; M44-V155 HydrophobicContact SD-CB 3.86Å; M44-V155 HydrophobicContact SD-CG1 4.22Å; M44-V155 HydrophobicContact SD-CG2 4.49Å; I45-V155 PolarHBondContact N-O 3.07Å; F153-V155 HydrophobicContact CD1-CG2 4.07Å; F153-V155 HydrophobicContact CE1-CG2 4Å; V155-I217 WeakPolarHBondContact CA-O 3.21Å; V155-I217 HydrophobicContact CB-CG2 4.27Å; V155-I217 HydrophobicContact CG1-CG2 4.18Å; V155-I217 HydrophobicContact CG2-CG2 3.85Å; V155-L243 HydrophobicContact CG1-CD1 3.85Å; V155-L243 HydrophobicContact CG2-CD1 3.96Å
156	E	98.4	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.3	179	-174.8	173.2	-136.6	0	0	110.8	I45 V158 Y202 P204 L205 I217 K218 V219	I45-E156 HydrophobicContact CB-CB 3.93Å; I45-E156 HydrophobicContact CB-CG 3.93Å; I45-E156 HydrophobicContact CG2-CB 4.35Å; I45-E156 HydrophobicContact CG2-CG 3.84Å; I45-E156 WeakPolarHBondContact O-CA 3.42Å; E156-V158 HydrophobicContact CG-CG2 3.92Å; E156-Y202 PolarHBondContact OE1-OH 2.9Å; E156-P204 VanDerWaalsContact OE1-CA 3.24Å; E156-P204 WeakPolarHBondContact OE1-CA 3.41Å; E156-L205 HydrophobicContact CB-CD1 4.01Å; E156-L205 PolarHBondContact OE1-N 3.19Å; E156-L205 VanDerWaalsContact OE1-N 3.15Å; E156-L205 WeakPolarHBondContact OE2-CB 3.4Å; E156-L205 PolarHBondContact OE2-N 2.94Å; E156-I217 PolarHBondContact N-O 2.89Å; E156-K218 HydrophobicContact CB-CG 4.21Å; E156-K218 CarbonylContact O-C 3.59Å; E156-K218 WeakPolarHBondContact O-CA 3.44Å; E156-K218 WeakPolarHBondContact OE2-CE 3.28Å; E156-K218 WeakPolarHBondContact OE2-CG 3.46Å; E156-K218 IonicContact OE2-NZ 3.96Å; E156-K218 PolarHBondContact OE2-NZ 3.42Å; E156-V219 PolarHBondContact O-N 2.95Å
157	S	95.8	Very high	92.4	Very high	8 Å²	8	43.3 Å²	43.3	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118	171.6	-166.8	0	0	0	0	111.3	I45 R50 M55	I45-S157 PolarHBondContact O-N 3.29Å; R50-S157 WeakPolarHBondContact O-CB 3.4Å; R50-S157 PolarHBondContact O-OG 2.84Å; M55-S157 VanDerWaalsContact CE-CB 3.44Å
158	V	94.9	Very high	91.7	Very high	26 Å²	26	36.9 Å²	36.9	16%	0.158	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.3	177.2	-172.1	0	0	0	0	107.9	E156 V219 I220 N221	E156-V158 HydrophobicContact CG-CG2 3.92Å; V158-V219 PolarHBondContact N-O 3.48Å; V158-I220 HydrophobicContact CB-CG1 4.41Å; V158-I220 CarbonylContact O-C 3.58Å; V158-I220 WeakPolarHBondContact O-CA 3.35Å; V158-N221 PolarHBondContact O-N 3.5Å
159	C	90.7	Very high	91	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.02	22%	0.219	C	C	.	.			trans	-146.5	124	174.2	-170.1	0	0	0	0	107.9	R50	R50-C159 PolarHBondContact NE-O 3.15Å; R50-C159 PolarHBondContact NH2-O 2.59Å
160	D	88	Confident	90.2	Very high	119 Å²	119	35.8 Å²	35.8	64%	0.636	21%	0.209	S	C	*	.			trans	-110.5	-5.2	179.6	-57.8	-41.7	0	0	0	111.9	P162 N221	D160-P162 WeakPolarHBondContact O-CD 3.32Å; D160-N221 PolarHBondContact N-OD1 3.4Å
161	D	87.3	Confident	89.1	Confident	52 Å²	52	39.8 Å²	39.8	28%	0.278	23%	0.227	S	C	.	.			trans	-68.4	114.7	176.1	-174.3	-41.5	0	0	0	111.6	D163 V164 I165	D161-D163 VanDerWaalsContact C-N 3.34Å; D161-D163 PolarHBondContact O-N 3.4Å; D161-D163 WeakPolarHBondContact OD1-CB 3.44Å; D161-D163 PolarHBondContact OD1-N 3.44Å; D161-V164 HydrophobicContact CB-CB 4.11Å; D161-V164 HydrophobicContact CB-CG2 3.95Å; D161-V164 PolarHBondContact OD1-N 2.82Å; D161-I165 WeakPolarHBondContact O-CD1 3.38Å; D161-I165 WeakPolarHBondContact O-CG1 3.39Å; D161-I165 PolarHBondContact O-N 2.97Å
162	P	86.3	Confident	88	Confident	88 Å²	88	38.4 Å²	38.4	57%	0.571	22%	0.223	S	C	*	.	H	α-helix	trans	-65.6	-32	-177.2	27.4	-34.1	0	0	0	113.6	D160 I165 A166	D160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-I165 PolarHBondContact O-N 3.24Å; P162-A166 WeakPolarHBondContact O-CB 3.39Å; P162-A166 PolarHBondContact O-N 3.43Å
163	D	86.3	Confident	86.8	Confident	127 Å²	127	39.3 Å²	39.3	68%	0.679	23%	0.225	S	C	*	.	H	α-helix	trans	-72.2	-42.5	-176.6	-65.5	-31	0	0	0	110.3	D161 I165 A166 A167	D161-D163 VanDerWaalsContact C-N 3.34Å; D161-D163 PolarHBondContact O-N 3.4Å; D161-D163 WeakPolarHBondContact OD1-CB 3.44Å; D161-D163 PolarHBondContact OD1-N 3.44Å; D163-I165 VanDerWaalsContact C-N 3.27Å; D163-I165 PolarHBondContact O-N 3.41Å; D163-A166 PolarHBondContact O-N 3.34Å; D163-A167 WeakPolarHBondContact O-CB 3.48Å; D163-A167 PolarHBondContact O-N 3.36Å
164	V	84.2	Confident	85.3	Confident	36 Å²	36	40.7 Å²	40.7	22%	0.218	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-41.3	172.3	171.5	0	0	0	0	111	D161 A167 N168 V222	D161-V164 HydrophobicContact CB-CB 4.11Å; D161-V164 HydrophobicContact CB-CG2 3.95Å; D161-V164 PolarHBondContact OD1-N 2.82Å; V164-A167 PolarHBondContact O-N 2.93Å; V164-N168 WeakPolarHBondContact O-CB 3.36Å; V164-N168 PolarHBondContact O-N 3.02Å; V164-N168 PolarHBondContact O-ND2 2.82Å; V164-V222 HydrophobicContact CB-CG2 4.35Å; V164-V222 HydrophobicContact CG1-CG2 3.44Å; V164-V222 VanDerWaalsContact CG1-CG2 3.44Å; V164-V222 HydrophobicContact CG2-CG2 4.04Å
165	I	85.2	Confident	83.8	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-46.4	-178.9	-62.6	162.6	0	0	0	110.1	D161 P162 D163 N168 I169 I195	D161-I165 WeakPolarHBondContact O-CD1 3.38Å; D161-I165 WeakPolarHBondContact O-CG1 3.39Å; D161-I165 PolarHBondContact O-N 2.97Å; P162-I165 PolarHBondContact O-N 3.24Å; D163-I165 VanDerWaalsContact C-N 3.27Å; D163-I165 PolarHBondContact O-N 3.41Å; I165-N168 PolarHBondContact O-N 3.27Å; I165-I169 HydrophobicContact CG2-CD1 3.87Å; I165-I169 VanDerWaalsContact O-CG1 3.25Å; I165-I169 WeakPolarHBondContact O-CG1 3.48Å; I165-I169 PolarHBondContact O-N 3.16Å; I165-I195 HydrophobicContact CG2-CD1 4.28Å
166	A	84.6	Confident	82.7	Confident	37 Å²	37	45.3 Å²	45.3	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-47.2	176.6	0	0	0	0	0	111.1	P162 D163 N168 I169 L170	P162-A166 WeakPolarHBondContact O-CB 3.39Å; P162-A166 PolarHBondContact O-N 3.43Å; D163-A166 PolarHBondContact O-N 3.34Å; A166-N168 PolarHBondContact O-N 2.66Å; A166-I169 PolarHBondContact O-N 3.47Å; A166-L170 WeakPolarHBondContact O-CG 3.47Å; A166-L170 PolarHBondContact O-N 2.88Å
167	A	83.3	Confident	81.6	Confident	52 Å²	52	50.2 Å²	50.2	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-57.5	-48.6	176.3	0	0	0	0	0	111.9	D163 V164 I169 L170 E171	D163-A167 WeakPolarHBondContact O-CB 3.48Å; D163-A167 PolarHBondContact O-N 3.36Å; V164-A167 PolarHBondContact O-N 2.93Å; A167-I169 VanDerWaalsContact C-N 3.31Å; A167-I169 PolarHBondContact O-N 2.79Å; A167-L170 PolarHBondContact O-N 3.01Å; A167-E171 WeakPolarHBondContact O-CB 3.07Å; A167-E171 PolarHBondContact O-N 2.92Å
168	N	82.3	Confident	80.5	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-37.2	178.2	-76.8	-29.6	0	0	0	113.1	A49 V164 I165 A166 V172	A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 PolarHBondContact O-ND2 3.15Å; V164-N168 WeakPolarHBondContact O-CB 3.36Å; V164-N168 PolarHBondContact O-N 3.02Å; V164-N168 PolarHBondContact O-ND2 2.82Å; I165-N168 PolarHBondContact O-N 3.27Å; A166-N168 PolarHBondContact O-N 2.66Å; N168-V172 WeakPolarHBondContact O-CB 3.26Å; N168-V172 PolarHBondContact O-N 3.19Å
169	I	80.8	Confident	79.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-46.5	177	-65.2	165.6	0	0	0	109.8	A49 I165 A166 A167 E171 K173 V174 M188 F191 L192 I195	A49-I169 HydrophobicContact CB-CD1 4.31Å; A49-I169 HydrophobicContact CB-CG1 3.57Å; I165-I169 HydrophobicContact CG2-CD1 3.87Å; I165-I169 VanDerWaalsContact O-CG1 3.25Å; I165-I169 WeakPolarHBondContact O-CG1 3.48Å; I165-I169 PolarHBondContact O-N 3.16Å; A166-I169 PolarHBondContact O-N 3.47Å; A167-I169 VanDerWaalsContact C-N 3.31Å; A167-I169 PolarHBondContact O-N 2.79Å; I169-E171 PolarHBondContact O-N 2.81Å; I169-K173 HydrophobicContact CG2-CB 4.16Å; I169-K173 WeakPolarHBondContact O-CA 3.19Å; I169-K173 WeakPolarHBondContact O-CB 3.09Å; I169-K173 PolarHBondContact O-N 3.34Å; I169-V174 PolarHBondContact O-N 3.43Å; I169-V174 VanDerWaalsContact O-N 3.15Å; I169-M188 HydrophobicContact CB-CE 3.76Å; I169-M188 HydrophobicContact CB-SD 3.91Å; I169-M188 HydrophobicContact CD1-SD 3.64Å; I169-M188 HydrophobicContact CG1-SD 4.37Å; I169-M188 HydrophobicContact CG2-CE 3.55Å; I169-M188 HydrophobicContact CG2-SD 3.54Å; I169-M188 VanDerWaalsContact CG2-SD 3.54Å; I169-F191 HydrophobicContact CD1-CD1 3.8Å; I169-F191 HydrophobicContact CD1-CE1 4.45Å; I169-F191 HydrophobicContact CG1-CD1 3.7Å; I169-F191 HydrophobicContact CG1-CE1 4.06Å; I169-F191 HydrophobicContact CG2-CB 4.33Å; I169-F191 HydrophobicContact CG2-CD1 4.38Å; I169-F191 HydrophobicContact CG2-CG 4.39Å; I169-L192 HydrophobicContact CD1-CD2 4.11Å; I169-I195 HydrophobicContact CD1-CD1 4.19Å
170	L	79.5	Confident	78.4	Confident	69 Å²	69	56.9 Å²	56.9	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-40.2	-178.1	-71.7	174.8	0	0	0	113.2	A166 A167 V174 M188	A166-L170 WeakPolarHBondContact O-CG 3.47Å; A166-L170 PolarHBondContact O-N 2.88Å; A167-L170 PolarHBondContact O-N 3.01Å; L170-V174 HydrophobicContact CD2-CG2 4.19Å; L170-M188 HydrophobicContact CD1-CE 4.46Å; L170-M188 HydrophobicContact CD2-CE 3.67Å; L170-M188 HydrophobicContact CG-CE 3.64Å
171	E	74	Confident	77.2	Confident	103 Å²	103	55.3 Å²	55.3	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-74.2	-46.2	-177.9	-173.4	-173.7	170.7	0	0	111.7	A167 I169 S175	A167-E171 WeakPolarHBondContact O-CB 3.07Å; A167-E171 PolarHBondContact O-N 2.92Å; I169-E171 PolarHBondContact O-N 2.81Å; E171-S175 PolarHBondContact O-OG 3.03Å
172	V	72.3	Confident	75.9	Confident	21 Å²	21	62.1 Å²	62.1	13%	0.127	35%	0.353	C	S	.	.	H	α-helix	trans	-110.2	-26.1	-163.2	-173.1	0	0	0	0	113.5	N168 A428 Y429	N168-V172 WeakPolarHBondContact O-CB 3.26Å; N168-V172 PolarHBondContact O-N 3.19Å; V172-A428 HydrophobicContact CG2-CB 3.65Å; V172-Y429 HydrophobicContact CG1-CE1 4.29Å; V172-Y429 HydrophobicContact CG1-CE2 3.92Å; V172-Y429 VanDerWaalsContact CG1-CZ 3.47Å; V172-Y429 WeakPolarHBondContact CG1-OH 3.48Å
173	K	73.6	Confident	75.4	Confident	40 Å²	40	63.5 Å²	63.5	17%	0.174	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-29.2	-171	-57.5	-57.2	179.5	-166.8	0	113.7	I169 S175 S176 F191	I169-K173 HydrophobicContact CG2-CB 4.16Å; I169-K173 WeakPolarHBondContact O-CA 3.19Å; I169-K173 WeakPolarHBondContact O-CB 3.09Å; I169-K173 PolarHBondContact O-N 3.34Å; K173-S175 PolarHBondContact O-N 2.82Å; K173-S176 WeakPolarHBondContact O-CB 3.19Å; K173-S176 PolarHBondContact O-N 3.23Å; K173-S176 VanDerWaalsContact O-N 3.07Å; K173-F191 HydrophobicContact CB-CD2 4.2Å; K173-F191 HydrophobicContact CB-CE2 4.12Å; K173-F191 HydrophobicContact CD-CE2 3.83Å; K173-F191 HydrophobicContact CD-CZ 3.97Å; K173-F191 HydrophobicContact CG-CD2 4.28Å; K173-F191 HydrophobicContact CG-CE1 4.29Å; K173-F191 HydrophobicContact CG-CE2 3.74Å; K173-F191 HydrophobicContact CG-CZ 3.74Å
174	V	66.6	Low	75	Confident	28 Å²	28	64.4 Å²	64.4	17%	0.17	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.6	170.7	175.7	0	0	0	0	111.9	I169 L170 S176 R184 V187	I169-V174 PolarHBondContact O-N 3.43Å; I169-V174 VanDerWaalsContact O-N 3.15Å; L170-V174 HydrophobicContact CD2-CG2 4.19Å; V174-S176 VanDerWaalsContact C-N 3.34Å; V174-R184 HydrophobicContact CG1-CB 4.49Å; V174-R184 HydrophobicContact CG1-CG 3.91Å; V174-V187 HydrophobicContact CG2-CG1 4.45Å
175	S	67.1	Low	74.9	Confident	88 Å²	88	70.8 Å²	70.8	62%	0.615	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	7.1	176.1	57	0	0	0	0	113.5	E171 K173	E171-S175 PolarHBondContact O-OG 3.03Å; K173-S175 PolarHBondContact O-N 2.82Å
176	S	74.9	Confident	74.8	Confident	10 Å²	10	77 Å²	77	7%	0.07	40%	0.395	C	S	.	.	S	Bend	trans	-75.1	143.5	-175.5	-173.2	0	0	0	0	111.8	K173 V174 D178 Y179	K173-S176 WeakPolarHBondContact O-CB 3.19Å; K173-S176 PolarHBondContact O-N 3.23Å; K173-S176 VanDerWaalsContact O-N 3.07Å; V174-S176 VanDerWaalsContact C-N 3.34Å; S176-D178 PolarHBondContact O-N 2.98Å; S176-D178 PolarHBondContact OG-N 3.02Å; S176-Y179 PolarHBondContact O-N 3.16Å
177	P	75	Confident	74.7	Confident	103 Å²	103	75.4 Å²	75.4	67%	0.669	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.2	171	-21.8	32.1	0	0	0	114.2	Y179	P177-Y179 PolarHBondContact O-N 2.93Å
178	D	74.5	Confident	74.7	Confident	19 Å²	19	74.6 Å²	74.6	10%	0.102	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.5	174.4	-74.1	14.9	0	0	0	112	R79 R80 Y86 S176 R194	R79-D178 IonicContact CZ-OD1 2.91Å; R79-D178 IonicContact CZ-OD2 3.9Å; R79-D178 IonicContact NH1-OD2 3.2Å; R79-D178 PolarHBondContact NH1-OD2 2.85Å; R79-D178 VanDerWaalsContact NH2-CG 3.25Å; R79-D178 IonicContact NH2-OD1 3.29Å; R79-D178 PolarHBondContact NH2-OD1 3.41Å; R79-D178 IonicContact NH2-OD2 3.6Å; R79-D178 PolarHBondContact NH2-OD2 3.11Å; R80-D178 VanDerWaalsContact CD-OD1 3.24Å; R80-D178 WeakPolarHBondContact CD-OD1 3.22Å; R80-D178 IonicContact CZ-OD1 3.1Å; R80-D178 IonicContact NE-OD1 2.65Å; R80-D178 IonicContact NH1-OD1 2.79Å; R80-D178 PolarHBondContact NH1-OD1 3.34Å; Y86-D178 VanDerWaalsContact OH-CG 3.24Å; Y86-D178 PolarHBondContact OH-OD2 3.33Å; S176-D178 PolarHBondContact O-N 2.98Å; S176-D178 PolarHBondContact OG-N 3.02Å; D178-R194 IonicContact OD2-NH1 2.79Å; D178-R194 PolarHBondContact OD2-NH1 3.08Å
179	Y	75.1	Confident	74.9	Confident	30 Å²	30	78.3 Å²	78.3	12%	0.118	39%	0.386	C	S	.	.			trans	-124.9	99.9	-176.4	-65	-78.5	0	0	0	110.8	S176 P177 E181 V187 D190 F191	S176-Y179 PolarHBondContact O-N 3.16Å; P177-Y179 PolarHBondContact O-N 2.93Å; Y179-E181 VanDerWaalsContact C-N 3.27Å; Y179-E181 PolarHBondContact O-N 2.96Å; Y179-V187 HydrophobicContact CD1-CB 4.17Å; Y179-V187 HydrophobicContact CD1-CG1 3.79Å; Y179-V187 HydrophobicContact CD1-CG2 3.8Å; Y179-V187 HydrophobicContact CD2-CG1 3.63Å; Y179-V187 HydrophobicContact CE1-CG1 4.1Å; Y179-V187 HydrophobicContact CE2-CG1 3.98Å; Y179-V187 HydrophobicContact CG-CB 4.27Å; Y179-V187 HydrophobicContact CG-CG1 3.54Å; Y179-V187 HydrophobicContact CG-CG2 3.88Å; Y179-D190 HydrophobicContact CE1-CB 4.12Å; Y179-D190 VanDerWaalsContact CE1-OD2 3.23Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.15Å; Y179-D190 PolarHBondContact OH-OD2 3.09Å; Y179-F191 AromaticContact CE2-CD2 3.79Å; Y179-F191 HydrophobicContact CE2-CD2 3.79Å; Y179-F191 HydrophobicContact CE2-CE2 4.45Å; Y179-F191 AromaticContact CZ-CD2 3.99Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.44Å
180	P	66.4	Low	75.3	Confident	129 Å²	129	79.4 Å²	79.4	84%	0.838	39%	0.391	S	S	*	.			trans	-73.8	-20.1	176.4	27.7	-32.3	0	0	0	112.9
181	E	62.3	Low	75.7	Confident	85 Å²	85	76.3 Å²	76.3	40%	0.397	38%	0.375	S	S	.	.			trans	-84.8	130.5	-177	-156.4	177.1	-168.4	0	0	111	Y179 H183 R186	Y179-E181 VanDerWaalsContact C-N 3.27Å; Y179-E181 PolarHBondContact O-N 2.96Å; E181-H183 VanDerWaalsContact C-N 3.29Å; E181-H183 PolarHBondContact O-N 2.99Å; E181-H183 IonicContact OE1-CD2 3.45Å; E181-R186 IonicContact OE1-CZ 2.66Å; E181-R186 IonicContact OE1-NH1 3.96Å; E181-R186 PolarHBondContact OE1-NH1 3Å
182	K	60.3	Low	76.4	Confident	195 Å²	195	75.2 Å²	75.2	85%	0.848	37%	0.372	S	S	*	.			trans	-81.9	-2	-176.5	-65.2	-175.5	179.8	180	0	114.2	R184	K182-R184 PolarHBondContact O-N 2.6Å; K182-R184 VanDerWaalsContact O-N 3.1Å
183	H	74.8	Confident	77.4	Confident	118 Å²	118	78 Å²	78	55%	0.546	38%	0.382	S	S	.	.			trans	-77.5	98.3	-178.2	-69.7	-65.1	0	0	0	110.7	E181 E185 R186 V187	E181-H183 VanDerWaalsContact C-N 3.29Å; E181-H183 PolarHBondContact O-N 2.99Å; E181-H183 IonicContact OE1-CD2 3.45Å; H183-E185 PolarHBondContact O-N 3.23Å; H183-E185 VanDerWaalsContact O-N 3.13Å; H183-R186 HydrophobicContact CB-CG 4.49Å; H183-R186 PolarHBondContact O-N 2.91Å; H183-V187 PolarHBondContact O-N 3.37Å
184	R	78	Confident	78.2	Confident	145 Å²	145	77.4 Å²	77.4	55%	0.547	38%	0.379	S	S	.	.	H	α-helix	trans	-52.8	-37.1	-173.9	-51.6	-177.1	89.9	174.2	4.7	113.2	V174 K182 M188	V174-R184 HydrophobicContact CG1-CB 4.49Å; V174-R184 HydrophobicContact CG1-CG 3.91Å; K182-R184 PolarHBondContact O-N 2.6Å; K182-R184 VanDerWaalsContact O-N 3.1Å; R184-M188 WeakPolarHBondContact O-CB 3.4Å; R184-M188 PolarHBondContact O-N 3.46Å
185	E	82.5	Confident	79.4	Confident	170 Å²	170	76.3 Å²	76.3	79%	0.794	37%	0.372	S	S	*	.	H	α-helix	trans	-65.9	-46.6	-179	-66.4	173.8	-175.8	0	0	112.7	H183 V187 M188 E189	H183-E185 PolarHBondContact O-N 3.23Å; H183-E185 VanDerWaalsContact O-N 3.13Å; E185-V187 PolarHBondContact O-N 2.92Å; E185-M188 WeakPolarHBondContact O-CB 3.21Å; E185-M188 PolarHBondContact O-N 2.92Å; E185-E189 PolarHBondContact O-N 3.46Å
186	R	82.2	Confident	80.7	Confident	151 Å²	151	76.7 Å²	76.7	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-65.5	-40.3	178.4	-69.7	-176.1	178.2	174.8	-2.6	111.9	E181 H183 M188 E189 D190	E181-R186 IonicContact OE1-CZ 2.66Å; E181-R186 IonicContact OE1-NH1 3.96Å; E181-R186 PolarHBondContact OE1-NH1 3Å; H183-R186 HydrophobicContact CB-CG 4.49Å; H183-R186 PolarHBondContact O-N 2.91Å; R186-M188 VanDerWaalsContact C-N 3.33Å; R186-E189 PolarHBondContact O-N 2.94Å; R186-D190 WeakPolarHBondContact O-CB 3.43Å; R186-D190 PolarHBondContact O-N 3.46Å
187	V	82.4	Confident	81.6	Confident	2 Å²	2	77 Å²	77	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-43.2	175.6	175.6	0	0	0	0	110.6	V174 Y179 H183 E185 F191	V174-V187 HydrophobicContact CG2-CG1 4.45Å; Y179-V187 HydrophobicContact CD1-CB 4.17Å; Y179-V187 HydrophobicContact CD1-CG1 3.79Å; Y179-V187 HydrophobicContact CD1-CG2 3.8Å; Y179-V187 HydrophobicContact CD2-CG1 3.63Å; Y179-V187 HydrophobicContact CE1-CG1 4.1Å; Y179-V187 HydrophobicContact CE2-CG1 3.98Å; Y179-V187 HydrophobicContact CG-CB 4.27Å; Y179-V187 HydrophobicContact CG-CG1 3.54Å; Y179-V187 HydrophobicContact CG-CG2 3.88Å; H183-V187 PolarHBondContact O-N 3.37Å; E185-V187 PolarHBondContact O-N 2.92Å; V187-F191 WeakPolarHBondContact O-CB 3.49Å; V187-F191 PolarHBondContact O-N 3.12Å
188	M	84.1	Confident	82.5	Confident	35 Å²	35	73.1 Å²	73.1	17%	0.172	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-49.5	175.7	-178.2	64.9	70.9	0	0	111.2	I169 L170 R184 E185 R186 D190 F191 L192	I169-M188 HydrophobicContact CB-CE 3.76Å; I169-M188 HydrophobicContact CB-SD 3.91Å; I169-M188 HydrophobicContact CD1-SD 3.64Å; I169-M188 HydrophobicContact CG1-SD 4.37Å; I169-M188 HydrophobicContact CG2-CE 3.55Å; I169-M188 HydrophobicContact CG2-SD 3.54Å; I169-M188 VanDerWaalsContact CG2-SD 3.54Å; L170-M188 HydrophobicContact CD1-CE 4.46Å; L170-M188 HydrophobicContact CD2-CE 3.67Å; L170-M188 HydrophobicContact CG-CE 3.64Å; R184-M188 WeakPolarHBondContact O-CB 3.4Å; R184-M188 PolarHBondContact O-N 3.46Å; E185-M188 WeakPolarHBondContact O-CB 3.21Å; E185-M188 PolarHBondContact O-N 2.92Å; R186-M188 VanDerWaalsContact C-N 3.33Å; M188-D190 PolarHBondContact O-N 3.01Å; M188-F191 PolarHBondContact O-N 3.38Å; M188-L192 HydrophobicContact CG-CD1 4.05Å; M188-L192 HydrophobicContact CG-CG 4.45Å; M188-L192 WeakPolarHBondContact O-CB 3.45Å; M188-L192 VanDerWaalsContact O-CG 3.3Å; M188-L192 WeakPolarHBondContact O-CG 3.43Å; M188-L192 PolarHBondContact O-N 3.26Å; M188-L192 HydrophobicContact SD-CD1 4.3Å; M188-L192 HydrophobicContact SD-CG 4.25Å
189	E	86.8	Confident	83.4	Confident	104 Å²	104	76.9 Å²	76.9	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-47.1	-178.9	-166.6	-168.4	161.4	0	0	112.2	E185 R186 F191 L192 K193	E185-E189 PolarHBondContact O-N 3.46Å; R186-E189 PolarHBondContact O-N 2.94Å; E189-F191 VanDerWaalsContact C-N 3.34Å; E189-F191 PolarHBondContact O-N 2.99Å; E189-L192 PolarHBondContact O-N 2.95Å; E189-K193 WeakPolarHBondContact O-CG 3.35Å; E189-K193 PolarHBondContact O-N 3.5Å; E189-K193 VanDerWaalsContact O-N 3.09Å; E189-K193 WeakPolarHBondContact OE1-CE 3.39Å; E189-K193 IonicContact OE1-NZ 3.73Å; E189-K193 PolarHBondContact OE1-NZ 2.94Å
190	D	88.3	Confident	84.4	Confident	23 Å²	23	80.2 Å²	80.2	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-43.1	175.8	-179.1	82.1	0	0	0	111.5	S88 Y89 Y179 R186 M188 L192 K193 R194	S88-D190 VanDerWaalsContact CA-OD1 3.31Å; S88-D190 WeakPolarHBondContact CA-OD1 3.34Å; Y89-D190 WeakPolarHBondContact CD1-OD1 3.38Å; Y89-D190 PolarHBondContact N-OD1 3.32Å; Y179-D190 HydrophobicContact CE1-CB 4.12Å; Y179-D190 VanDerWaalsContact CE1-OD2 3.23Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.15Å; Y179-D190 PolarHBondContact OH-OD2 3.09Å; R186-D190 WeakPolarHBondContact O-CB 3.43Å; R186-D190 PolarHBondContact O-N 3.46Å; M188-D190 PolarHBondContact O-N 3.01Å; D190-L192 PolarHBondContact O-N 3.49Å; D190-K193 PolarHBondContact O-N 3.13Å; D190-R194 WeakPolarHBondContact O-CB 3.26Å; D190-R194 PolarHBondContact O-N 2.9Å
191	F	87.9	Confident	85.7	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-35.5	-178.6	-157.8	-85.6	0	0	0	112.5	P48 A49 I169 K173 Y179 V187 M188 E189 R194 I195	P48-F191 HydrophobicContact CB-CE1 3.69Å; P48-F191 HydrophobicContact CB-CZ 3.63Å; A49-F191 HydrophobicContact CB-CD1 4.41Å; A49-F191 HydrophobicContact CB-CE1 3.58Å; A49-F191 HydrophobicContact CB-CZ 4.3Å; I169-F191 HydrophobicContact CD1-CD1 3.8Å; I169-F191 HydrophobicContact CD1-CE1 4.45Å; I169-F191 HydrophobicContact CG1-CD1 3.7Å; I169-F191 HydrophobicContact CG1-CE1 4.06Å; I169-F191 HydrophobicContact CG2-CB 4.33Å; I169-F191 HydrophobicContact CG2-CD1 4.38Å; I169-F191 HydrophobicContact CG2-CG 4.39Å; K173-F191 HydrophobicContact CB-CD2 4.2Å; K173-F191 HydrophobicContact CB-CE2 4.12Å; K173-F191 HydrophobicContact CD-CE2 3.83Å; K173-F191 HydrophobicContact CD-CZ 3.97Å; K173-F191 HydrophobicContact CG-CD2 4.28Å; K173-F191 HydrophobicContact CG-CE1 4.29Å; K173-F191 HydrophobicContact CG-CE2 3.74Å; K173-F191 HydrophobicContact CG-CZ 3.74Å; Y179-F191 AromaticContact CE2-CD2 3.79Å; Y179-F191 HydrophobicContact CE2-CD2 3.79Å; Y179-F191 HydrophobicContact CE2-CE2 4.45Å; Y179-F191 AromaticContact CZ-CD2 3.99Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.44Å; V187-F191 WeakPolarHBondContact O-CB 3.49Å; V187-F191 PolarHBondContact O-N 3.12Å; M188-F191 PolarHBondContact O-N 3.38Å; E189-F191 VanDerWaalsContact C-N 3.34Å; E189-F191 PolarHBondContact O-N 2.99Å; F191-R194 WeakPolarHBondContact O-CB 3.45Å; F191-R194 PolarHBondContact O-N 3.45Å; F191-I195 HydrophobicContact CD1-CD1 3.86Å; F191-I195 HydrophobicContact CD1-CG1 4.18Å; F191-I195 HydrophobicContact CE1-CD1 3.94Å; F191-I195 HydrophobicContact CE1-CG1 4.1Å; F191-I195 WeakPolarHBondContact O-CG1 3.26Å; F191-I195 PolarHBondContact O-N 3.05Å
192	L	89.6	Confident	87.4	Confident	79 Å²	79	74.5 Å²	74.5	41%	0.414	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-46.6	172.7	-72.2	172.9	0	0	0	110.9	I169 M188 E189 D190 R194 I195 E196	I169-L192 HydrophobicContact CD1-CD2 4.11Å; M188-L192 HydrophobicContact CG-CD1 4.05Å; M188-L192 HydrophobicContact CG-CG 4.45Å; M188-L192 WeakPolarHBondContact O-CB 3.45Å; M188-L192 VanDerWaalsContact O-CG 3.3Å; M188-L192 WeakPolarHBondContact O-CG 3.43Å; M188-L192 PolarHBondContact O-N 3.26Å; M188-L192 HydrophobicContact SD-CD1 4.3Å; M188-L192 HydrophobicContact SD-CG 4.25Å; E189-L192 PolarHBondContact O-N 2.95Å; D190-L192 PolarHBondContact O-N 3.49Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.15Å; L192-I195 WeakPolarHBondContact O-CB 3.42Å; L192-I195 PolarHBondContact O-N 3.37Å; L192-E196 PolarHBondContact O-N 2.67Å
193	K	92	Very high	89.2	Confident	80 Å²	80	69 Å²	69	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-38.7	174.4	-69.4	175.6	-172.5	167.3	0	111.9	Y89 E189 D190 I195 E196 C197	Y89-K193 HydrophobicContact CD1-CB 3.84Å; Y89-K193 HydrophobicContact CD1-CD 3.86Å; Y89-K193 HydrophobicContact CD1-CG 4.5Å; Y89-K193 HydrophobicContact CD2-CB 3.74Å; Y89-K193 HydrophobicContact CE1-CB 4.23Å; Y89-K193 HydrophobicContact CE1-CD 3.54Å; Y89-K193 HydrophobicContact CE2-CB 4.11Å; Y89-K193 HydrophobicContact CE2-CD 4.4Å; Y89-K193 HydrophobicContact CG-CB 3.59Å; Y89-K193 HydrophobicContact CG-CD 4.44Å; E189-K193 WeakPolarHBondContact O-CG 3.35Å; E189-K193 PolarHBondContact O-N 3.5Å; E189-K193 VanDerWaalsContact O-N 3.09Å; E189-K193 WeakPolarHBondContact OE1-CE 3.39Å; E189-K193 IonicContact OE1-NZ 3.73Å; E189-K193 PolarHBondContact OE1-NZ 2.94Å; D190-K193 PolarHBondContact O-N 3.13Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 3.11Å; K193-E196 WeakPolarHBondContact O-CB 3.4Å; K193-E196 PolarHBondContact O-N 3.45Å; K193-C197 PolarHBondContact O-N 2.82Å; K193-C197 PolarHBondContact O-SG 3.5Å; K193-C197 VanDerWaalsContact O-SG 3.35Å
194	R	91.7	Very high	90.3	Very high	27 Å²	27	66.2 Å²	66.2	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-41	172.7	174.9	179.6	-179.7	176.7	1.8	112.1	R79 Y86 F92 D178 D190 F191 L192 E196 C197 Y198	R79-R194 VanDerWaalsContact NH1-NH2 3.18Å; Y86-R194 PolarHBondContact OH-NH1 3.29Å; F92-R194 HydrophobicContact CB-CG 4.26Å; F92-R194 HydrophobicContact CD2-CB 4.29Å; F92-R194 HydrophobicContact CD2-CG 3.53Å; F92-R194 VanDerWaalsContact CE2-CD 3.48Å; F92-R194 HydrophobicContact CE2-CG 4.05Å; F92-R194 VanDerWaalsContact CE2-CZ 3.47Å; F92-R194 VanDerWaalsContact CE2-NE 3.29Å; F92-R194 HydrophobicContact CG-CG 3.91Å; F92-R194 VanDerWaalsContact CZ-NH2 3.3Å; D178-R194 IonicContact OD2-NH1 2.79Å; D178-R194 PolarHBondContact OD2-NH1 3.08Å; D190-R194 WeakPolarHBondContact O-CB 3.26Å; D190-R194 PolarHBondContact O-N 2.9Å; F191-R194 WeakPolarHBondContact O-CB 3.45Å; F191-R194 PolarHBondContact O-N 3.45Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.15Å; R194-E196 VanDerWaalsContact C-N 3.34Å; R194-C197 WeakPolarHBondContact O-CB 3.21Å; R194-C197 PolarHBondContact O-N 3.31Å; R194-Y198 HydrophobicContact CG-CE2 4.25Å; R194-Y198 VanDerWaalsContact O-CD2 3.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.45Å
195	I	92.1	Very high	91.2	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-44.6	175.2	-70.2	165.5	0	0	0	110.2	L47 P48 A49 I165 I169 F191 L192 K193 C197 Y198 K199	L47-I195 HydrophobicContact CD1-CG2 4.46Å; P48-I195 HydrophobicContact CB-CG1 3.91Å; P48-I195 HydrophobicContact CG-CG1 4.24Å; A49-I195 HydrophobicContact CB-CD1 4.46Å; I165-I195 HydrophobicContact CG2-CD1 4.28Å; I169-I195 HydrophobicContact CD1-CD1 4.19Å; F191-I195 HydrophobicContact CD1-CD1 3.86Å; F191-I195 HydrophobicContact CD1-CG1 4.18Å; F191-I195 HydrophobicContact CE1-CD1 3.94Å; F191-I195 HydrophobicContact CE1-CG1 4.1Å; F191-I195 WeakPolarHBondContact O-CG1 3.26Å; F191-I195 PolarHBondContact O-N 3.05Å; L192-I195 WeakPolarHBondContact O-CB 3.42Å; L192-I195 PolarHBondContact O-N 3.37Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 3.11Å; I195-C197 VanDerWaalsContact C-N 3.28Å; I195-C197 PolarHBondContact O-N 3.31Å; I195-Y198 PolarHBondContact O-N 3.38Å; I195-K199 HydrophobicContact CG2-CD 4.44Å; I195-K199 HydrophobicContact CG2-CG 4.39Å; I195-K199 PolarHBondContact O-N 3.17Å
196	E	93.6	Very high	91.9	Very high	97 Å²	97	53.7 Å²	53.7	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-39.3	177.4	-64.2	-51.5	125.8	0	0	112.1	L192 K193 R194 Y198 K199 V200	L192-E196 PolarHBondContact O-N 2.67Å; K193-E196 WeakPolarHBondContact O-CB 3.4Å; K193-E196 PolarHBondContact O-N 3.45Å; R194-E196 VanDerWaalsContact C-N 3.34Å; E196-Y198 VanDerWaalsContact C-N 3.26Å; E196-Y198 PolarHBondContact O-N 3.18Å; E196-K199 PolarHBondContact O-N 3.49Å; E196-K199 VanDerWaalsContact O-N 3.16Å; E196-K199 WeakPolarHBondContact OE1-CD 3.44Å; E196-K199 WeakPolarHBondContact OE1-CE 3.37Å; E196-K199 IonicContact OE1-NZ 3.74Å; E196-K199 PolarHBondContact OE1-NZ 3.4Å; E196-K199 WeakPolarHBondContact OE2-CD 3.32Å; E196-K199 IonicContact OE2-NZ 2.68Å; E196-V200 PolarHBondContact O-N 3.13Å
197	C	93.8	Very high	92.6	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.115	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-38.1	173.9	-63.3	0	0	0	0	113.4	F92 K193 R194 I195	F92-C197 HydrophobicContact CB-CB 4.32Å; K193-C197 PolarHBondContact O-N 2.82Å; K193-C197 PolarHBondContact O-SG 3.5Å; K193-C197 VanDerWaalsContact O-SG 3.35Å; R194-C197 WeakPolarHBondContact O-CB 3.21Å; R194-C197 PolarHBondContact O-N 3.31Å; I195-C197 VanDerWaalsContact C-N 3.28Å; I195-C197 PolarHBondContact O-N 3.31Å
198	Y	93.6	Very high	93.3	Very high	21 Å²	21	54.7 Å²	54.7	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-79	-31.3	178.7	-77.5	-83	0	0	0	112.6	P48 F92 R103 T131 R194 I195 E196 V200 T201 Y202	P48-Y198 HydrophobicContact CG-CD2 3.65Å; P48-Y198 HydrophobicContact CG-CE2 4.02Å; P48-Y198 HydrophobicContact CG-CG 4.31Å; F92-Y198 HydrophobicContact CB-CE2 3.94Å; F92-Y198 AromaticContact CD1-CE2 3.94Å; F92-Y198 HydrophobicContact CD1-CE2 3.94Å; F92-Y198 AromaticContact CD1-CZ 3.98Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.37Å; F92-Y198 HydrophobicContact CG-CE2 4.06Å; R103-Y198 PolarHBondContact NH1-OH 2.69Å; T131-Y198 HydrophobicContact CG2-CD1 4.18Å; T131-Y198 HydrophobicContact CG2-CE1 3.9Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.29Å; R194-Y198 HydrophobicContact CG-CE2 4.25Å; R194-Y198 VanDerWaalsContact O-CD2 3.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.45Å; I195-Y198 PolarHBondContact O-N 3.38Å; E196-Y198 VanDerWaalsContact C-N 3.26Å; E196-Y198 PolarHBondContact O-N 3.18Å; Y198-V200 VanDerWaalsContact C-N 3.26Å; Y198-V200 PolarHBondContact O-N 3.33Å; Y198-T201 PolarHBondContact O-N 3.46Å; Y198-Y202 WeakPolarHBondContact O-CB 3.42Å; Y198-Y202 PolarHBondContact O-N 2.94Å; Y198-Y202 VanDerWaalsContact O-N 3.09Å
199	K	94.1	Very high	93.8	Very high	98 Å²	98	57.9 Å²	57.9	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-59.1	-37.8	178	-78.1	-179.8	176.5	172.3	0	112.3	L47 I195 E196 T201 Y202	L47-K199 HydrophobicContact CD1-CG 3.76Å; L47-K199 HydrophobicContact CD2-CG 4.26Å; I195-K199 HydrophobicContact CG2-CD 4.44Å; I195-K199 HydrophobicContact CG2-CG 4.39Å; I195-K199 PolarHBondContact O-N 3.17Å; E196-K199 PolarHBondContact O-N 3.49Å; E196-K199 VanDerWaalsContact O-N 3.16Å; E196-K199 WeakPolarHBondContact OE1-CD 3.44Å; E196-K199 WeakPolarHBondContact OE1-CE 3.37Å; E196-K199 IonicContact OE1-NZ 3.74Å; E196-K199 PolarHBondContact OE1-NZ 3.4Å; E196-K199 WeakPolarHBondContact OE2-CD 3.32Å; E196-K199 IonicContact OE2-NZ 2.68Å; K199-T201 PolarHBondContact O-N 3.35Å; K199-T201 VanDerWaalsContact O-N 3.13Å; K199-Y202 PolarHBondContact O-N 3.49Å
200	V	95.3	Very high	94.3	Very high	100 Å²	100	57.7 Å²	57.7	61%	0.606	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.9	-179.6	178.8	0	0	0	0	112.8	E196 Y198	E196-V200 PolarHBondContact O-N 3.13Å; Y198-V200 VanDerWaalsContact C-N 3.26Å; Y198-V200 PolarHBondContact O-N 3.33Å
201	T	95	Very high	94.7	Very high	48 Å²	48	56.7 Å²	56.7	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	6.6	-175.2	56.2	0	0	0	0	113.1	H94 Y198 K199 Q203	H94-T201 HydrophobicContact CB-CG2 3.92Å; Y198-T201 PolarHBondContact O-N 3.46Å; K199-T201 PolarHBondContact O-N 3.35Å; K199-T201 VanDerWaalsContact O-N 3.13Å; T201-Q203 PolarHBondContact O-N 3.23Å
202	Y	97.5	Very high	95.2	Very high	45 Å²	45	61.2 Å²	61.2	18%	0.176	31%	0.306	C	S	.	.			trans	-73.1	120.8	-176.3	-179.1	-149.3	0	0	0	111.1	I45 L47 T133 E156 Y198 K199 P204	I45-Y202 HydrophobicContact CG2-CE2 4.32Å; L47-Y202 HydrophobicContact CD1-CD1 4.07Å; L47-Y202 HydrophobicContact CD1-CE1 4.29Å; L47-Y202 HydrophobicContact CD2-CD1 3.82Å; L47-Y202 HydrophobicContact CD2-CE1 4.43Å; L47-Y202 HydrophobicContact CD2-CG 3.98Å; L47-Y202 HydrophobicContact CG-CD1 3.82Å; L47-Y202 HydrophobicContact CG-CE1 3.97Å; L47-Y202 HydrophobicContact CG-CG 4.41Å; T133-Y202 HydrophobicContact CG2-CD2 3.53Å; T133-Y202 HydrophobicContact CG2-CE2 3.91Å; T133-Y202 HydrophobicContact CG2-CG 4.15Å; E156-Y202 PolarHBondContact OE1-OH 2.9Å; Y198-Y202 WeakPolarHBondContact O-CB 3.42Å; Y198-Y202 PolarHBondContact O-N 2.94Å; Y198-Y202 VanDerWaalsContact O-N 3.09Å; K199-Y202 PolarHBondContact O-N 3.49Å; Y202-P204 HydrophobicContact CD1-CG 4.21Å; Y202-P204 HydrophobicContact CD2-CG 4.49Å; Y202-P204 HydrophobicContact CE1-CG 3.87Å; Y202-P204 HydrophobicContact CE2-CB 4.37Å; Y202-P204 HydrophobicContact CE2-CG 4.19Å
203	Q	97.7	Very high	95.5	Very high	80 Å²	80	61.8 Å²	61.8	37%	0.374	31%	0.309	S	S	.	.			trans	-116.5	95	173.9	-65.2	169.8	-37.4	0	0	107.3	T133 R135 R138 T201	T133-Q203 PolarHBondContact O-N 2.96Å; R135-Q203 HydrophobicContact CG-CB 4.2Å; R138-Q203 PolarHBondContact NH1-O 3.35Å; R138-Q203 PolarHBondContact NH2-O 3.01Å; T201-Q203 PolarHBondContact O-N 3.23Å
204	P	97.7	Very high	95.8	Very high	60 Å²	60	59 Å²	59	39%	0.39	30%	0.298	S	S	.	.			trans	-56.3	160.1	176.7	-21.4	31.8	0	0	0	111.5	E156 Y202 D206	E156-P204 VanDerWaalsContact OE1-CA 3.24Å; E156-P204 WeakPolarHBondContact OE1-CA 3.41Å; Y202-P204 HydrophobicContact CD1-CG 4.21Å; Y202-P204 HydrophobicContact CD2-CG 4.49Å; Y202-P204 HydrophobicContact CE1-CG 3.87Å; Y202-P204 HydrophobicContact CE2-CB 4.37Å; Y202-P204 HydrophobicContact CE2-CG 4.19Å; P204-D206 PolarHBondContact O-N 3.38Å
205	L	98.1	Very high	96.1	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	29%	0.294	C	S	.	.			trans	-61.4	139.3	172.6	-68.3	172.8	0	0	0	110.7	I45 F154 E156 D211 L214 F216 K218	I45-L205 HydrophobicContact CD1-CD1 3.73Å; I45-L205 HydrophobicContact CD1-CD2 3.83Å; I45-L205 HydrophobicContact CD1-CG 3.78Å; F154-L205 HydrophobicContact CB-CD1 4.05Å; E156-L205 HydrophobicContact CB-CD1 4.01Å; E156-L205 PolarHBondContact OE1-N 3.19Å; E156-L205 VanDerWaalsContact OE1-N 3.15Å; E156-L205 WeakPolarHBondContact OE2-CB 3.4Å; E156-L205 PolarHBondContact OE2-N 2.94Å; L205-D211 WeakPolarHBondContact CA-OD2 3.31Å; L205-D211 HydrophobicContact CD2-CB 4.1Å; L205-L214 HydrophobicContact CD2-CD1 4.4Å; L205-F216 HydrophobicContact CB-CE2 4.22Å; L205-F216 HydrophobicContact CB-CZ 4.21Å; L205-F216 HydrophobicContact CD1-CB 3.8Å; L205-F216 HydrophobicContact CD1-CD1 4.14Å; L205-F216 HydrophobicContact CD1-CD2 3.66Å; L205-F216 HydrophobicContact CD1-CE2 4.14Å; L205-F216 HydrophobicContact CD1-CG 3.64Å; L205-K218 WeakPolarHBondContact O-CE 3.36Å; L205-K218 PolarHBondContact O-NZ 3.25Å
206	D	97.5	Very high	96.4	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.251	29%	0.293	S	S	.	.			trans	-119.6	94.5	-178.2	-176.5	-0.9	0	0	0	110.4	R135 P204 D208 D209 D211 K212	R135-D206 IonicContact NH2-OD2 3.56Å; P204-D206 PolarHBondContact O-N 3.38Å; D206-D208 PolarHBondContact O-N 3.34Å; D206-D208 PolarHBondContact OD1-N 2.86Å; D206-D209 PolarHBondContact OD1-N 3.01Å; D206-D211 PolarHBondContact N-OD2 2.67Å; D206-D211 CarbonylContact O-C 3.32Å; D206-D211 VanDerWaalsContact O-CA 3.31Å; D206-D211 WeakPolarHBondContact O-CA 3.17Å; D206-D211 WeakPolarHBondContact O-CB 3.44Å; D206-D211 PolarHBondContact O-N 3.2Å; D206-K212 PolarHBondContact O-N 3.39Å
207	P	96.1	Very high	96.7	Very high	26 Å²	26	53 Å²	53	17%	0.169	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.4	-178.1	22.9	-29.7	0	0	0	113.8	K212 F216 L227	P207-K212 VanDerWaalsContact O-CA 3.24Å; P207-K212 WeakPolarHBondContact O-CA 3.39Å; P207-K212 WeakPolarHBondContact O-CB 3.46Å; P207-F216 HydrophobicContact CB-CZ 3.76Å; P207-F216 HydrophobicContact CG-CZ 4.33Å; P207-L227 HydrophobicContact CB-CD2 4.13Å; P207-L227 HydrophobicContact CG-CD1 3.93Å; P207-L227 HydrophobicContact CG-CD2 4.06Å
208	D	96.2	Very high	96.8	Very high	147 Å²	147	53.2 Å²	53.2	79%	0.786	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-22.7	-170.2	-61.6	-41.5	0	0	0	111.9	D206	D206-D208 PolarHBondContact O-N 3.34Å; D206-D208 PolarHBondContact OD1-N 2.86Å
209	D	96.4	Very high	97	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-92.1	179.9	-173.9	30.8	0	0	0	113	D206 D211 K212	D206-D209 PolarHBondContact OD1-N 3.01Å; D209-D211 PolarHBondContact O-N 3.08Å; D209-K212 WeakPolarHBondContact O-CD 3.25Å; D209-K212 WeakPolarHBondContact O-CG 3.34Å; D209-K212 PolarHBondContact O-N 3.39Å
210	Y	95.9	Very high	97	Very high	100 Å²	100	49.4 Å²	49.4	39%	0.392	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-40	-166.4	-170.5	-92.3	0	0	0	113.9	R135 D139	R135-Y210 HydrophobicContact CB-CE1 4.06Å; R135-Y210 HydrophobicContact CG-CD1 4.04Å; R135-Y210 HydrophobicContact CG-CE1 3.75Å; D139-Y210 PolarHBondContact OD1-OH 3.47Å; D139-Y210 PolarHBondContact OD2-OH 3.25Å
211	D	97.8	Very high	96.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	12.9	-172.6	-57.4	-75.2	0	0	0	112.4	R138 L205 D206 D209 D213 L214 F216	R138-D211 IonicContact NH2-OD2 2.78Å; L205-D211 WeakPolarHBondContact CA-OD2 3.31Å; L205-D211 HydrophobicContact CD2-CB 4.1Å; D206-D211 PolarHBondContact N-OD2 2.67Å; D206-D211 CarbonylContact O-C 3.32Å; D206-D211 VanDerWaalsContact O-CA 3.31Å; D206-D211 WeakPolarHBondContact O-CA 3.17Å; D206-D211 WeakPolarHBondContact O-CB 3.44Å; D206-D211 PolarHBondContact O-N 3.2Å; D209-D211 PolarHBondContact O-N 3.08Å; D211-D213 PolarHBondContact O-N 3.06Å; D211-D213 VanDerWaalsContact O-N 3.11Å; D211-L214 HydrophobicContact CB-CD1 3.82Å; D211-L214 HydrophobicContact CB-CG 4.15Å; D211-L214 WeakPolarHBondContact O-CB 3.42Å; D211-L214 PolarHBondContact O-N 2.96Å; D211-L214 WeakPolarHBondContact OD1-CD1 3.36Å; D211-F216 HydrophobicContact CB-CE1 4.31Å
212	K	96.8	Very high	96.2	Very high	100 Å²	100	46.4 Å²	46.4	44%	0.435	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.3	-175.2	73.1	-171.5	173.9	-166.8	0	115.1	D206 P207 D209 N229 R230	D206-K212 PolarHBondContact O-N 3.39Å; P207-K212 VanDerWaalsContact O-CA 3.24Å; P207-K212 WeakPolarHBondContact O-CA 3.39Å; P207-K212 WeakPolarHBondContact O-CB 3.46Å; D209-K212 WeakPolarHBondContact O-CD 3.25Å; D209-K212 WeakPolarHBondContact O-CG 3.34Å; D209-K212 PolarHBondContact O-N 3.39Å; K212-N229 PolarHBondContact O-ND2 3.16Å; K212-R230 PolarHBondContact O-NE 3.13Å
213	D	96.9	Very high	95.7	Very high	90 Å²	90	45.3 Å²	45.3	48%	0.481	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.4	-178.4	-66	-58.8	0	0	0	113	D211 R230	D211-D213 PolarHBondContact O-N 3.06Å; D211-D213 VanDerWaalsContact O-N 3.11Å; D213-R230 IonicContact OD1-CZ 3.01Å; D213-R230 IonicContact OD1-NH1 2.71Å; D213-R230 PolarHBondContact OD1-NH1 3.28Å; D213-R230 IonicContact OD1-NH2 2.73Å; D213-R230 PolarHBondContact OD1-NH2 2.63Å
214	L	97.8	Very high	95.3	Very high	22 Å²	22	48 Å²	48	12%	0.115	25%	0.252	C	S	.	.	S	Bend	trans	-83.9	146.2	-178.8	-56.1	-171	0	0	0	112.3	F154 L205 D211 F216 N229	F154-L214 HydrophobicContact CD2-CB 4.37Å; F154-L214 HydrophobicContact CD2-CD1 4.29Å; F154-L214 HydrophobicContact CE2-CB 4.35Å; F154-L214 HydrophobicContact CE2-CD1 3.85Å; F154-L214 HydrophobicContact CE2-CD2 4.42Å; F154-L214 HydrophobicContact CE2-CG 4.44Å; F154-L214 HydrophobicContact CZ-CD1 4.41Å; L205-L214 HydrophobicContact CD2-CD1 4.4Å; D211-L214 HydrophobicContact CB-CD1 3.82Å; D211-L214 HydrophobicContact CB-CG 4.15Å; D211-L214 WeakPolarHBondContact O-CB 3.42Å; D211-L214 PolarHBondContact O-N 2.96Å; D211-L214 WeakPolarHBondContact OD1-CD1 3.36Å; L214-F216 HydrophobicContact CB-CD1 4Å; L214-F216 HydrophobicContact CB-CE1 4.49Å; L214-F216 VanDerWaalsContact O-CD1 3.31Å; L214-F216 WeakPolarHBondContact O-CD1 3.45Å; L214-N229 PolarHBondContact O-ND2 3.09Å
215	S	98.4	Very high	95.2	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	26%	0.261	C	S	.	.			trans	-88.6	117	172.4	-61.1	0	0	0	0	110.6	F153 F154 N229 R230 Q232	F153-S215 WeakPolarHBondContact CA-O 3.35Å; F154-S215 PolarHBondContact N-O 2.81Å; S215-N229 WeakPolarHBondContact CA-O 3.5Å; S215-R230 VanDerWaalsContact CB-O 3.25Å; S215-R230 WeakPolarHBondContact CB-O 3.35Å; S215-R230 PolarHBondContact OG-O 2.52Å; S215-Q232 VanDerWaalsContact OG-CD 3.22Å; S215-Q232 WeakPolarHBondContact OG-CG 3.14Å; S215-Q232 PolarHBondContact OG-NE2 3.23Å
216	F	98.6	Very high	95.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	165.8	-176.2	68	-99	0	0	0	114.9	F154 L205 P207 D211 L214 K218 L227 V228 N229	F154-F216 HydrophobicContact CB-CB 3.7Å; F154-F216 CarbonylContact O-C 3.53Å; F154-F216 WeakPolarHBondContact O-CA 3.35Å; F154-F216 WeakPolarHBondContact O-CB 3.06Å; L205-F216 HydrophobicContact CB-CE2 4.22Å; L205-F216 HydrophobicContact CB-CZ 4.21Å; L205-F216 HydrophobicContact CD1-CB 3.8Å; L205-F216 HydrophobicContact CD1-CD1 4.14Å; L205-F216 HydrophobicContact CD1-CD2 3.66Å; L205-F216 HydrophobicContact CD1-CE2 4.14Å; L205-F216 HydrophobicContact CD1-CG 3.64Å; P207-F216 HydrophobicContact CB-CZ 3.76Å; P207-F216 HydrophobicContact CG-CZ 4.33Å; D211-F216 HydrophobicContact CB-CE1 4.31Å; L214-F216 HydrophobicContact CB-CD1 4Å; L214-F216 HydrophobicContact CB-CE1 4.49Å; L214-F216 VanDerWaalsContact O-CD1 3.31Å; L214-F216 WeakPolarHBondContact O-CD1 3.45Å; F216-K218 HydrophobicContact CD2-CG 4.13Å; F216-K218 HydrophobicContact CE2-CD 4.03Å; F216-K218 HydrophobicContact CE2-CG 3.92Å; F216-L227 HydrophobicContact CE2-CD2 3.72Å; F216-L227 HydrophobicContact CZ-CD2 4.18Å; F216-V228 WeakPolarHBondContact O-CA 3.31Å; F216-N229 HydrophobicContact CD1-CB 3.78Å; F216-N229 HydrophobicContact CD2-CB 4.33Å; F216-N229 HydrophobicContact CE1-CB 3.52Å; F216-N229 HydrophobicContact CE2-CB 4.11Å; F216-N229 HydrophobicContact CG-CB 4.19Å; F216-N229 HydrophobicContact CZ-CB 3.73Å; F216-N229 PolarHBondContact N-O 3.09Å; F216-N229 PolarHBondContact O-N 3.42Å
217	I	98.5	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	165.6	-178.4	171.9	0	0	0	110	F153 F154 V155 E156 V219 F226 L227 V228 V240 L243	F153-I217 HydrophobicContact CE1-CB 4.5Å; F153-I217 HydrophobicContact CE1-CG2 3.68Å; F153-I217 HydrophobicContact CZ-CB 4.08Å; F153-I217 HydrophobicContact CZ-CG2 3.76Å; F154-I217 PolarHBondContact O-N 3.48Å; V155-I217 WeakPolarHBondContact CA-O 3.21Å; V155-I217 HydrophobicContact CB-CG2 4.27Å; V155-I217 HydrophobicContact CG1-CG2 4.18Å; V155-I217 HydrophobicContact CG2-CG2 3.85Å; E156-I217 PolarHBondContact N-O 2.89Å; I217-V219 HydrophobicContact CD1-CG2 4.33Å; I217-V219 HydrophobicContact CG1-CG2 4.26Å; I217-F226 HydrophobicContact CD1-CD1 3.89Å; I217-F226 HydrophobicContact CG1-CD1 4.38Å; I217-L227 CarbonylContact C-O 3.47Å; I217-L227 WeakPolarHBondContact CA-O 3.44Å; I217-V228 HydrophobicContact CB-CG2 4.38Å; I217-V228 HydrophobicContact CD1-CG2 4.07Å; I217-V228 HydrophobicContact CG1-CG2 3.95Å; I217-V240 HydrophobicContact CB-CG2 4.49Å; I217-V240 HydrophobicContact CD1-CB 4.49Å; I217-V240 HydrophobicContact CD1-CG1 4.22Å; I217-V240 HydrophobicContact CD1-CG2 4.31Å; I217-L243 HydrophobicContact CD1-CB 4.26Å; I217-L243 HydrophobicContact CD1-CD1 4.39Å; I217-L243 HydrophobicContact CG2-CD1 3.8Å
218	K	97.9	Very high	95.2	Very high	21 Å²	21	57.6 Å²	57.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.2	164.5	-67.2	169.6	173	-84.9	0	108.7	E156 L205 F216 I220 F226 L227	E156-K218 HydrophobicContact CB-CG 4.21Å; E156-K218 CarbonylContact O-C 3.59Å; E156-K218 WeakPolarHBondContact O-CA 3.44Å; E156-K218 WeakPolarHBondContact OE2-CE 3.28Å; E156-K218 WeakPolarHBondContact OE2-CG 3.46Å; E156-K218 IonicContact OE2-NZ 3.96Å; E156-K218 PolarHBondContact OE2-NZ 3.42Å; L205-K218 WeakPolarHBondContact O-CE 3.36Å; L205-K218 PolarHBondContact O-NZ 3.25Å; F216-K218 HydrophobicContact CD2-CG 4.13Å; F216-K218 HydrophobicContact CE2-CD 4.03Å; F216-K218 HydrophobicContact CE2-CG 3.92Å; K218-I220 HydrophobicContact CB-CG1 4.3Å; K218-F226 VanDerWaalsContact O-CA 3.28Å; K218-F226 WeakPolarHBondContact O-CA 3.23Å; K218-L227 HydrophobicContact CB-CB 4.12Å; K218-L227 HydrophobicContact CD-CB 4.14Å; K218-L227 HydrophobicContact CD-CD1 4.33Å; K218-L227 HydrophobicContact CD-CD2 4.41Å; K218-L227 PolarHBondContact N-O 3.44Å; K218-L227 PolarHBondContact O-N 3.07Å; K218-L227 VanDerWaalsContact O-N 3.08Å
219	V	96.3	Very high	95.3	Very high	6 Å²	6	52 Å²	52	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.2	172.1	-177.5	0	0	0	0	107.6	M55 E156 V158 I217 F226	M55-V219 HydrophobicContact SD-CG1 4.49Å; M55-V219 HydrophobicContact SD-CG2 4.38Å; E156-V219 PolarHBondContact O-N 2.95Å; V158-V219 PolarHBondContact N-O 3.48Å; I217-V219 HydrophobicContact CD1-CG2 4.33Å; I217-V219 HydrophobicContact CG1-CG2 4.26Å; V219-F226 HydrophobicContact CB-CD1 4.42Å; V219-F226 HydrophobicContact CB-CE1 4.32Å; V219-F226 HydrophobicContact CG1-CD1 4.36Å; V219-F226 HydrophobicContact CG1-CE1 3.82Å; V219-F226 HydrophobicContact CG2-CD1 4.08Å; V219-F226 HydrophobicContact CG2-CE1 4.02Å
220	I	94.3	Very high	95.3	Very high	33 Å²	33	53.6 Å²	53.6	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.6	-171.7	-57	169.3	0	0	0	109.6	V158 K218 V222 G223 Q224 R225	V158-I220 HydrophobicContact CB-CG1 4.41Å; V158-I220 CarbonylContact O-C 3.58Å; V158-I220 WeakPolarHBondContact O-CA 3.35Å; K218-I220 HydrophobicContact CB-CG1 4.3Å; I220-V222 PolarHBondContact O-N 3.01Å; I220-G223 PolarHBondContact O-N 3.19Å; I220-Q224 PolarHBondContact O-N 3.18Å; I220-Q224 VanDerWaalsContact O-N 3.17Å; I220-R225 HydrophobicContact CB-CB 4.17Å; I220-R225 WeakPolarHBondContact CB-O 3.42Å; I220-R225 PolarHBondContact N-O 3.25Å; I220-R225 PolarHBondContact O-N 3.3Å
221	N	88.9	Confident	95.4	Very high	30 Å²	30	51.9 Å²	51.9	16%	0.16	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	61.1	179.2	-66.1	-17.9	0	0	0	112.2	V158 D160 G223 Q224	V158-N221 PolarHBondContact O-N 3.5Å; D160-N221 PolarHBondContact N-OD1 3.4Å; N221-G223 PolarHBondContact O-N 2.98Å; N221-Q224 HydrophobicContact CB-CB 4.16Å; N221-Q224 HydrophobicContact CB-CG 4.23Å; N221-Q224 VanDerWaalsContact CB-OE1 3.24Å; N221-Q224 VanDerWaalsContact O-CG 3.23Å; N221-Q224 WeakPolarHBondContact O-CG 3.48Å; N221-Q224 PolarHBondContact O-N 3Å
222	V	84.8	Confident	95.3	Very high	55 Å²	55	57.2 Å²	57.2	33%	0.333	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	35	173.6	-156.2	0	0	0	0	113.2	V164 I220 V248	V164-V222 HydrophobicContact CB-CG2 4.35Å; V164-V222 HydrophobicContact CG1-CG2 3.44Å; V164-V222 VanDerWaalsContact CG1-CG2 3.44Å; V164-V222 HydrophobicContact CG2-CG2 4.04Å; I220-V222 PolarHBondContact O-N 3.01Å; V222-V248 HydrophobicContact CG1-CB 3.67Å; V222-V248 HydrophobicContact CG1-CG2 3.29Å
223	G	87.2	Confident	95.2	Very high	22 Å²	22	54 Å²	54	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	11.1	176.7	0	0	0	0	0	114.9	I220 N221 R225 F226	I220-G223 PolarHBondContact O-N 3.19Å; N221-G223 PolarHBondContact O-N 2.98Å; G223-R225 VanDerWaalsContact C-N 3.29Å; G223-R225 PolarHBondContact O-N 3.47Å; G223-F226 WeakPolarHBondContact O-CE2 3.35Å; G223-F226 WeakPolarHBondContact O-CZ 3.22Å
224	Q	89.8	Confident	95.1	Very high	136 Å²	136	53 Å²	53	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-36.6	170.5	-74.6	174.2	4.2	0	0	112.4	I220 N221	I220-Q224 PolarHBondContact O-N 3.18Å; I220-Q224 VanDerWaalsContact O-N 3.17Å; N221-Q224 HydrophobicContact CB-CB 4.16Å; N221-Q224 HydrophobicContact CB-CG 4.23Å; N221-Q224 VanDerWaalsContact CB-OE1 3.24Å; N221-Q224 VanDerWaalsContact O-CG 3.23Å; N221-Q224 WeakPolarHBondContact O-CG 3.48Å; N221-Q224 PolarHBondContact O-N 3Å
225	R	94.2	Very high	95	Very high	158 Å²	158	52 Å²	52	60%	0.596	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.1	179	-67.9	-175.6	-66.2	164.7	0.3	110.8	I220 G223	I220-R225 HydrophobicContact CB-CB 4.17Å; I220-R225 WeakPolarHBondContact CB-O 3.42Å; I220-R225 PolarHBondContact N-O 3.25Å; I220-R225 PolarHBondContact O-N 3.3Å; G223-R225 VanDerWaalsContact C-N 3.29Å; G223-R225 PolarHBondContact O-N 3.47Å
226	F	96.5	Very high	94.9	Very high	58 Å²	58	51.9 Å²	51.9	25%	0.254	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.6	178.1	-56.3	-88	0	0	0	110.2	I217 K218 V219 G223 M244	I217-F226 HydrophobicContact CD1-CD1 3.89Å; I217-F226 HydrophobicContact CG1-CD1 4.38Å; K218-F226 VanDerWaalsContact O-CA 3.28Å; K218-F226 WeakPolarHBondContact O-CA 3.23Å; V219-F226 HydrophobicContact CB-CD1 4.42Å; V219-F226 HydrophobicContact CB-CE1 4.32Å; V219-F226 HydrophobicContact CG1-CD1 4.36Å; V219-F226 HydrophobicContact CG1-CE1 3.82Å; V219-F226 HydrophobicContact CG2-CD1 4.08Å; V219-F226 HydrophobicContact CG2-CE1 4.02Å; G223-F226 WeakPolarHBondContact O-CE2 3.35Å; G223-F226 WeakPolarHBondContact O-CZ 3.22Å; F226-M244 HydrophobicContact CD1-CG 4.06Å; F226-M244 HydrophobicContact CD2-CE 4.34Å; F226-M244 HydrophobicContact CD2-CG 3.97Å; F226-M244 HydrophobicContact CE1-CG 4.1Å; F226-M244 HydrophobicContact CE2-CB 4.28Å; F226-M244 HydrophobicContact CE2-CG 4.03Å; F226-M244 HydrophobicContact CG-CG 3.98Å; F226-M244 HydrophobicContact CZ-CB 4.24Å; F226-M244 HydrophobicContact CZ-CG 4.11Å
227	L	97.8	Very high	94.8	Very high	63 Å²	63	55 Å²	55	33%	0.33	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.5	165.5	-171.1	161.9	0	0	0	107.1	P207 F216 I217 K218	P207-L227 HydrophobicContact CB-CD2 4.13Å; P207-L227 HydrophobicContact CG-CD1 3.93Å; P207-L227 HydrophobicContact CG-CD2 4.06Å; F216-L227 HydrophobicContact CE2-CD2 3.72Å; F216-L227 HydrophobicContact CZ-CD2 4.18Å; I217-L227 CarbonylContact C-O 3.47Å; I217-L227 WeakPolarHBondContact CA-O 3.44Å; K218-L227 HydrophobicContact CB-CB 4.12Å; K218-L227 HydrophobicContact CD-CB 4.14Å; K218-L227 HydrophobicContact CD-CD1 4.33Å; K218-L227 HydrophobicContact CD-CD2 4.41Å; K218-L227 PolarHBondContact N-O 3.44Å; K218-L227 PolarHBondContact O-N 3.07Å; K218-L227 VanDerWaalsContact O-N 3.08Å
228	V	98.4	Very high	94.7	Very high	60 Å²	60	56.9 Å²	56.9	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	-177.9	-177.3	0	0	0	0	108.4	F216 I217 V231 V240	F216-V228 WeakPolarHBondContact O-CA 3.31Å; I217-V228 HydrophobicContact CB-CG2 4.38Å; I217-V228 HydrophobicContact CD1-CG2 4.07Å; I217-V228 HydrophobicContact CG1-CG2 3.95Å; V228-V231 HydrophobicContact CG1-CG2 3.43Å; V228-V231 VanDerWaalsContact CG1-CG2 3.43Å; V228-V240 HydrophobicContact CG1-CG1 4.4Å; V228-V240 HydrophobicContact CG1-CG2 4.01Å; V228-V240 HydrophobicContact CG2-CG1 3.87Å; V228-V240 HydrophobicContact CG2-CG2 4.48Å
229	N	98.4	Very high	94.6	Very high	31 Å²	31	55.9 Å²	55.9	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.1	177.3	-167.2	47.4	0	0	0	111	K212 L214 S215 F216 V231	K212-N229 PolarHBondContact O-ND2 3.16Å; L214-N229 PolarHBondContact O-ND2 3.09Å; S215-N229 WeakPolarHBondContact CA-O 3.5Å; F216-N229 HydrophobicContact CD1-CB 3.78Å; F216-N229 HydrophobicContact CD2-CB 4.33Å; F216-N229 HydrophobicContact CE1-CB 3.52Å; F216-N229 HydrophobicContact CE2-CB 4.11Å; F216-N229 HydrophobicContact CG-CB 4.19Å; F216-N229 HydrophobicContact CZ-CB 3.73Å; F216-N229 PolarHBondContact N-O 3.09Å; F216-N229 PolarHBondContact O-N 3.42Å; N229-V231 PolarHBondContact O-N 3.22Å
230	R	97.1	Very high	94.7	Very high	136 Å²	136	56.3 Å²	56.3	51%	0.513	28%	0.278	S	S	.	.			trans	42.6	61.9	170.5	-65.7	-167.8	173.9	-170.3	9.2	116.1	K212 D213 S215 Q232	K212-R230 PolarHBondContact O-NE 3.13Å; D213-R230 IonicContact OD1-CZ 3.01Å; D213-R230 IonicContact OD1-NH1 2.71Å; D213-R230 PolarHBondContact OD1-NH1 3.28Å; D213-R230 IonicContact OD1-NH2 2.73Å; D213-R230 PolarHBondContact OD1-NH2 2.63Å; S215-R230 VanDerWaalsContact CB-O 3.25Å; S215-R230 WeakPolarHBondContact CB-O 3.35Å; S215-R230 PolarHBondContact OG-O 2.52Å; R230-Q232 PolarHBondContact O-N 2.66Å
231	V	97.6	Very high	94.8	Very high	63 Å²	63	59.9 Å²	59.9	38%	0.382	29%	0.29	S	S	.	.			trans	-62.1	122.8	169.5	-178.5	0	0	0	0	109.8	V228 N229 Q236 V240	V228-V231 HydrophobicContact CG1-CG2 3.43Å; V228-V231 VanDerWaalsContact CG1-CG2 3.43Å; N229-V231 PolarHBondContact O-N 3.22Å; V231-Q236 HydrophobicContact CG1-CB 3.79Å; V231-V240 HydrophobicContact CG2-CG2 4.21Å
232	Q	95.1	Very high	95.1	Very high	113 Å²	113	58.5 Å²	58.5	53%	0.528	28%	0.283	S	S	.	.			trans	-93.4	-30.5	-171.5	-59.8	178.4	-38.1	0	0	113.8	S215 R230	S215-Q232 VanDerWaalsContact OG-CD 3.22Å; S215-Q232 WeakPolarHBondContact OG-CG 3.14Å; S215-Q232 PolarHBondContact OG-NE2 3.23Å; R230-Q232 PolarHBondContact O-N 2.66Å
233	D	94.8	Very high	95.6	Very high	33 Å²	33	56 Å²	56	18%	0.176	27%	0.268	C	S	.	.	S	Bend	trans	-153.9	178.6	-170.4	61.6	26.8	0	0	0	113.7	K151 I235 Q236 S237	K151-D233 WeakPolarHBondContact CD-OD2 3.33Å; K151-D233 IonicContact NZ-OD2 2.78Å; K151-D233 PolarHBondContact NZ-OD2 2.78Å; D233-I235 VanDerWaalsContact C-N 3.32Å; D233-I235 PolarHBondContact O-N 2.72Å; D233-I235 VanDerWaalsContact OD1-CG2 3.23Å; D233-I235 WeakPolarHBondContact OD1-CG2 3.47Å; D233-I235 PolarHBondContact OD1-N 2.81Å; D233-Q236 PolarHBondContact O-N 3.21Å; D233-Q236 WeakPolarHBondContact OD1-CB 3.27Å; D233-Q236 VanDerWaalsContact OD1-CG 3.29Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.33Å; D233-Q236 PolarHBondContact OD1-N 3.37Å; D233-S237 PolarHBondContact O-N 2.75Å
234	Y	94.6	Very high	95.9	Very high	70 Å²	70	59.5 Å²	59.5	28%	0.275	28%	0.279	S	S	.	.	H	α-helix	trans	-56.1	-44.4	-179.9	172.5	-98.6	0	0	0	112.5	A32 M35 S237 K238	A32-Y234 HydrophobicContact CB-CE1 4.24Å; M35-Y234 HydrophobicContact CB-CD1 3.54Å; M35-Y234 HydrophobicContact CB-CE1 4.01Å; M35-Y234 HydrophobicContact CB-CG 4.06Å; M35-Y234 HydrophobicContact CG-CD1 4.18Å; M35-Y234 HydrophobicContact CG-CE1 4.39Å; M35-Y234 HydrophobicContact CG-CG 4.43Å; Y234-S237 WeakPolarHBondContact O-CB 3.43Å; Y234-S237 PolarHBondContact O-N 3.27Å; Y234-K238 HydrophobicContact CD1-CG 4.38Å; Y234-K238 HydrophobicContact CE1-CG 3.9Å; Y234-K238 HydrophobicContact CE2-CG 4.1Å; Y234-K238 VanDerWaalsContact CZ-CE 3.48Å; Y234-K238 PolarHBondContact O-N 2.96Å; Y234-K238 WeakPolarHBondContact OH-CE 3.39Å
235	I	95.2	Very high	96	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-38	-173.2	-162.5	52.4	0	0	0	111.2	L63 V68 I125 D233 S237 K238 I239	L63-I235 HydrophobicContact CD2-CD1 3.71Å; L63-I235 HydrophobicContact CD2-CG1 4.46Å; V68-I235 HydrophobicContact CG2-CD1 4.24Å; I125-I235 HydrophobicContact CD1-CD1 4.23Å; I125-I235 HydrophobicContact CD1-CG1 3.63Å; D233-I235 VanDerWaalsContact C-N 3.32Å; D233-I235 PolarHBondContact O-N 2.72Å; D233-I235 VanDerWaalsContact OD1-CG2 3.23Å; D233-I235 WeakPolarHBondContact OD1-CG2 3.47Å; D233-I235 PolarHBondContact OD1-N 2.81Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.92Å; I235-K238 HydrophobicContact CD1-CB 4.48Å; I235-K238 PolarHBondContact O-N 2.89Å; I235-I239 HydrophobicContact CG1-CD1 4.39Å; I235-I239 WeakPolarHBondContact O-CD1 3.45Å; I235-I239 WeakPolarHBondContact O-CG1 3.45Å; I235-I239 PolarHBondContact O-N 3.11Å
236	Q	97.2	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-41.2	170.8	-68.8	178.4	13.2	0	0	111.6	F153 V231 D233 K238 I239 V240	F153-Q236 HydrophobicContact CB-CG 4.11Å; F153-Q236 HydrophobicContact CD2-CB 4.15Å; F153-Q236 HydrophobicContact CD2-CG 3.73Å; F153-Q236 HydrophobicContact CE2-CB 4.26Å; F153-Q236 HydrophobicContact CE2-CG 4.34Å; F153-Q236 HydrophobicContact CG-CG 3.92Å; V231-Q236 HydrophobicContact CG1-CB 3.79Å; D233-Q236 PolarHBondContact O-N 3.21Å; D233-Q236 WeakPolarHBondContact OD1-CB 3.27Å; D233-Q236 VanDerWaalsContact OD1-CG 3.29Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.33Å; D233-Q236 PolarHBondContact OD1-N 3.37Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 3.29Å; Q236-I239 PolarHBondContact O-N 2.92Å; Q236-V240 WeakPolarHBondContact O-CG2 3.28Å; Q236-V240 PolarHBondContact O-N 3.42Å
237	S	96.9	Very high	94.9	Very high	67 Å²	67	46.3 Å²	46.3	47%	0.469	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-39.7	175	-173.3	0	0	0	0	112.3	D233 Y234 I235 Y241	D233-S237 PolarHBondContact O-N 2.75Å; Y234-S237 WeakPolarHBondContact O-CB 3.43Å; Y234-S237 PolarHBondContact O-N 3.27Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 2.92Å; S237-Y241 WeakPolarHBondContact O-CB 3.17Å; S237-Y241 PolarHBondContact O-N 3.28Å
238	K	95.7	Very high	93.6	Very high	39 Å²	39	46.2 Å²	46.2	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-40.6	175.5	-77.6	-68.7	-163.6	165.2	0	112.3	Y234 I235 Q236 Y241 Y242 E375	Y234-K238 HydrophobicContact CD1-CG 4.38Å; Y234-K238 HydrophobicContact CE1-CG 3.9Å; Y234-K238 HydrophobicContact CE2-CG 4.1Å; Y234-K238 VanDerWaalsContact CZ-CE 3.48Å; Y234-K238 PolarHBondContact O-N 2.96Å; Y234-K238 WeakPolarHBondContact OH-CE 3.39Å; I235-K238 HydrophobicContact CD1-CB 4.48Å; I235-K238 PolarHBondContact O-N 2.89Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 3.29Å; K238-Y241 PolarHBondContact O-N 2.7Å; K238-Y242 WeakPolarHBondContact O-CB 3.27Å; K238-Y242 PolarHBondContact O-N 3.2Å; K238-E375 IonicContact NZ-OE1 2.69Å; K238-E375 PolarHBondContact NZ-OE1 3.39Å; K238-E375 IonicContact NZ-OE2 3.64Å; K238-E375 PolarHBondContact NZ-OE2 3.31Å
239	I	97.1	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-47.6	174.8	-68.5	157.2	0	0	0	110.3	I42 L59 L63 F153 I235 Q236 Y242 L243	I42-I239 HydrophobicContact CD1-CD1 3.5Å; I42-I239 VanDerWaalsContact CD1-CD1 3.5Å; I42-I239 HydrophobicContact CD1-CG1 4.2Å; I42-I239 HydrophobicContact CG1-CD1 4.26Å; L59-I239 HydrophobicContact CD1-CB 4.37Å; L59-I239 HydrophobicContact CD1-CG1 4.13Å; L59-I239 HydrophobicContact CD1-CG2 4.02Å; L59-I239 HydrophobicContact CD2-CG2 3.84Å; L63-I239 HydrophobicContact CD2-CG1 4.32Å; F153-I239 HydrophobicContact CD1-CG2 4.13Å; F153-I239 HydrophobicContact CE1-CB 4.44Å; F153-I239 HydrophobicContact CE1-CG2 3.76Å; I235-I239 HydrophobicContact CG1-CD1 4.39Å; I235-I239 WeakPolarHBondContact O-CD1 3.45Å; I235-I239 WeakPolarHBondContact O-CG1 3.45Å; I235-I239 PolarHBondContact O-N 3.11Å; Q236-I239 PolarHBondContact O-N 2.92Å; I239-Y242 PolarHBondContact O-N 2.76Å; I239-L243 HydrophobicContact CG2-CD1 3.77Å; I239-L243 HydrophobicContact CG2-CG 4.32Å; I239-L243 WeakPolarHBondContact O-CB 3.35Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 2.78Å
240	V	97.5	Very high	91.1	Very high	15 Å²	15	54.1 Å²	54.1	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-50.6	176.2	168.8	0	0	0	0	110.4	F153 I217 V228 V231 Q236 Y242 L243 M244	F153-V240 HydrophobicContact CE1-CG2 4.42Å; F153-V240 HydrophobicContact CE2-CG2 4.49Å; F153-V240 HydrophobicContact CZ-CG2 3.68Å; I217-V240 HydrophobicContact CB-CG2 4.49Å; I217-V240 HydrophobicContact CD1-CB 4.49Å; I217-V240 HydrophobicContact CD1-CG1 4.22Å; I217-V240 HydrophobicContact CD1-CG2 4.31Å; V228-V240 HydrophobicContact CG1-CG1 4.4Å; V228-V240 HydrophobicContact CG1-CG2 4.01Å; V228-V240 HydrophobicContact CG2-CG1 3.87Å; V228-V240 HydrophobicContact CG2-CG2 4.48Å; V231-V240 HydrophobicContact CG2-CG2 4.21Å; Q236-V240 WeakPolarHBondContact O-CG2 3.28Å; Q236-V240 PolarHBondContact O-N 3.42Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 2.77Å; V240-L243 PolarHBondContact O-N 3.09Å; V240-M244 HydrophobicContact CG1-CG 4.45Å; V240-M244 HydrophobicContact CG1-SD 3.82Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.24Å; V240-M244 PolarHBondContact O-N 3.28Å
241	Y	96.1	Very high	90.6	Very high	107 Å²	107	48.3 Å²	48.3	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-44.1	179.2	176.7	-117.6	0	0	0	112.3	S237 K238 M244 N245 M379	S237-Y241 WeakPolarHBondContact O-CB 3.17Å; S237-Y241 PolarHBondContact O-N 3.28Å; K238-Y241 PolarHBondContact O-N 2.7Å; Y241-M244 PolarHBondContact O-N 2.89Å; Y241-N245 WeakPolarHBondContact CD2-ND2 3.07Å; Y241-N245 VanDerWaalsContact CE2-ND2 3.28Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.48Å; Y241-N245 PolarHBondContact O-N 3.48Å; Y241-N245 PolarHBondContact O-ND2 2.9Å; Y241-M379 HydrophobicContact CD1-SD 4.24Å; Y241-M379 HydrophobicContact CE1-CB 4.43Å; Y241-M379 HydrophobicContact CE1-CG 3.67Å; Y241-M379 HydrophobicContact CE1-SD 3.96Å
242	Y	96.3	Very high	90.3	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-49.9	176.4	-178.7	-103.1	0	0	0	112	K58 L59 Y62 K238 I239 V240 M244 N245 I246 M379 E382 Y402	K58-Y242 HydrophobicContact CB-CE1 4.29Å; K58-Y242 PolarHBondContact O-OH 2.99Å; L59-Y242 HydrophobicContact CB-CE1 4.38Å; L59-Y242 HydrophobicContact CD1-CD1 3.63Å; L59-Y242 HydrophobicContact CD1-CE1 4.26Å; L59-Y242 HydrophobicContact CD1-CG 4.36Å; Y62-Y242 HydrophobicContact CD1-CD1 4.09Å; Y62-Y242 AromaticContact CD1-CD2 3.6Å; Y62-Y242 HydrophobicContact CD1-CD2 3.6Å; Y62-Y242 HydrophobicContact CD1-CE2 4.08Å; Y62-Y242 AromaticContact CD1-CG 3.59Å; Y62-Y242 HydrophobicContact CD1-CG 3.59Å; Y62-Y242 AromaticContact CD2-CD2 3.77Å; Y62-Y242 HydrophobicContact CD2-CD2 3.77Å; Y62-Y242 AromaticContact CD2-CE2 3.83Å; Y62-Y242 HydrophobicContact CD2-CE2 3.83Å; Y62-Y242 AromaticContact CE1-CD2 3.95Å; Y62-Y242 HydrophobicContact CE1-CD2 3.95Å; Y62-Y242 AromaticContact CE1-CG 3.91Å; Y62-Y242 HydrophobicContact CE1-CG 3.91Å; Y62-Y242 HydrophobicContact CE2-CD2 4.11Å; Y62-Y242 HydrophobicContact CG-CD1 4.43Å; Y62-Y242 AromaticContact CG-CD2 3.49Å; Y62-Y242 HydrophobicContact CG-CD2 3.49Å; Y62-Y242 VanDerWaalsContact CG-CD2 3.49Å; Y62-Y242 HydrophobicContact CG-CE1 4.46Å; Y62-Y242 AromaticContact CG-CE2 3.54Å; Y62-Y242 HydrophobicContact CG-CE2 3.54Å; Y62-Y242 AromaticContact CG-CG 3.95Å; Y62-Y242 HydrophobicContact CG-CG 3.95Å; K238-Y242 WeakPolarHBondContact O-CB 3.27Å; K238-Y242 PolarHBondContact O-N 3.2Å; I239-Y242 PolarHBondContact O-N 2.76Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 2.77Å; Y242-M244 PolarHBondContact O-N 2.92Å; Y242-N245 PolarHBondContact O-N 3.31Å; Y242-I246 HydrophobicContact CD1-CG2 4.1Å; Y242-I246 HydrophobicContact CD2-CG2 4.4Å; Y242-I246 HydrophobicContact CE1-CG2 3.61Å; Y242-I246 HydrophobicContact CE2-CG2 3.95Å; Y242-I246 HydrophobicContact CG-CG2 4.49Å; Y242-I246 PolarHBondContact O-N 3.5Å; Y242-M379 HydrophobicContact CD2-CE 3.53Å; Y242-M379 HydrophobicContact CD2-SD 3.81Å; Y242-M379 HydrophobicContact CE2-CE 3.78Å; Y242-E382 HydrophobicContact CE2-CG 4.45Å; Y242-Y402 WeakPolarHBondContact CE2-OH 3.38Å; Y242-Y402 PolarHBondContact OH-OH 3.05Å
243	L	94.9	Very high	90.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-26.6	-179	-70.1	174.3	0	0	0	113	M55 V155 I217 I239 V240 N245 I246	M55-L243 HydrophobicContact CB-CD2 4.4Å; M55-L243 HydrophobicContact SD-CD2 4.4Å; V155-L243 HydrophobicContact CG1-CD1 3.85Å; V155-L243 HydrophobicContact CG2-CD1 3.96Å; I217-L243 HydrophobicContact CD1-CB 4.26Å; I217-L243 HydrophobicContact CD1-CD1 4.39Å; I217-L243 HydrophobicContact CG2-CD1 3.8Å; I239-L243 HydrophobicContact CG2-CD1 3.77Å; I239-L243 HydrophobicContact CG2-CG 4.32Å; I239-L243 WeakPolarHBondContact O-CB 3.35Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 2.78Å; V240-L243 PolarHBondContact O-N 3.09Å; L243-N245 VanDerWaalsContact C-N 3.35Å; L243-I246 HydrophobicContact CD2-CD1 3.84Å; L243-I246 WeakPolarHBondContact O-CG1 3.3Å
244	M	93.6	Very high	90.4	Very high	96 Å²	96	39.7 Å²	39.7	47%	0.473	21%	0.207	S	C	.	.	H	α-helix	trans	-75.8	-20	175.1	-71.8	177.7	70.7	0	0	114	F226 V240 Y241 Y242	F226-M244 HydrophobicContact CD1-CG 4.06Å; F226-M244 HydrophobicContact CD2-CE 4.34Å; F226-M244 HydrophobicContact CD2-CG 3.97Å; F226-M244 HydrophobicContact CE1-CG 4.1Å; F226-M244 HydrophobicContact CE2-CB 4.28Å; F226-M244 HydrophobicContact CE2-CG 4.03Å; F226-M244 HydrophobicContact CG-CG 3.98Å; F226-M244 HydrophobicContact CZ-CB 4.24Å; F226-M244 HydrophobicContact CZ-CG 4.11Å; V240-M244 HydrophobicContact CG1-CG 4.45Å; V240-M244 HydrophobicContact CG1-SD 3.82Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.24Å; V240-M244 PolarHBondContact O-N 3.28Å; Y241-M244 PolarHBondContact O-N 2.89Å; Y242-M244 PolarHBondContact O-N 2.92Å
245	N	91.4	Very high	90.6	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-104.4	-13.5	-177	-72.5	-77.6	0	0	0	113.7	Y241 Y242 L243 E382 R383	Y241-N245 WeakPolarHBondContact CD2-ND2 3.07Å; Y241-N245 VanDerWaalsContact CE2-ND2 3.28Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.48Å; Y241-N245 PolarHBondContact O-N 3.48Å; Y241-N245 PolarHBondContact O-ND2 2.9Å; Y242-N245 PolarHBondContact O-N 3.31Å; L243-N245 VanDerWaalsContact C-N 3.35Å; N245-E382 CarbonylContact O-C 3.57Å; N245-E382 VanDerWaalsContact O-O 3.13Å; N245-R383 WeakPolarHBondContact O-CA 3.39Å
246	I	88.2	Confident	90.8	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.092	19%	0.194	C	C	.	.			trans	-77.1	139.1	175.2	61.9	173.3	0	0	0	111.3	M55 K58 Y242 L243 E382	M55-I246 HydrophobicContact CG-CD1 4.1Å; K58-I246 HydrophobicContact CD-CG2 4.43Å; Y242-I246 HydrophobicContact CD1-CG2 4.1Å; Y242-I246 HydrophobicContact CD2-CG2 4.4Å; Y242-I246 HydrophobicContact CE1-CG2 3.61Å; Y242-I246 HydrophobicContact CE2-CG2 3.95Å; Y242-I246 HydrophobicContact CG-CG2 4.49Å; Y242-I246 PolarHBondContact O-N 3.5Å; L243-I246 HydrophobicContact CD2-CD1 3.84Å; L243-I246 WeakPolarHBondContact O-CG1 3.3Å; I246-E382 HydrophobicContact CG2-CB 4.4Å
247	H	78.3	Confident	90.8	Very high	32 Å²	32	36.5 Å²	36.5	15%	0.148	20%	0.195	C	C	.	.			trans	-126.9	164.2	166.8	60.9	73.5	0	0	0	112.4	Y54 H251 E382 R383 Q384	Y54-H247 PolarHBondContact OH-O 3.18Å; Y54-H247 VanDerWaalsContact OH-O 3.13Å; H247-H251 AromaticContact CE1-CE1 3.4Å; H247-H251 PolarHBondContact CE1-CE1 3.45Å; H247-H251 AromaticContact CE1-ND1 3.33Å; H247-H251 PolarHBondContact CE1-ND1 3.26Å; H247-H251 VanDerWaalsContact CE1-ND1 3.33Å; H247-H251 AromaticContact ND1-ND1 3.98Å; H247-E382 PolarHBondContact CD2-O 2.83Å; H247-E382 PolarHBondContact NE2-O 2.81Å; H247-R383 VanDerWaalsContact CD2-C 3.5Å; H247-R383 PolarHBondContact CD2-O 3.34Å; H247-R383 VanDerWaalsContact CD2-O 3.31Å; H247-R383 PolarHBondContact NE2-O 3.24Å; H247-R383 VanDerWaalsContact NE2-O 3.13Å; H247-Q384 PolarHBondContact CE1-O 2.83Å; H247-Q384 PolarHBondContact NE2-O 2.93Å
248	V	72.4	Confident	90.9	Very high	61 Å²	61	33.4 Å²	33.4	37%	0.37	17%	0.173	S	C	.	.			trans	-100.3	-4.5	-176.3	-171.6	0	0	0	0	112.3	Y54 V222 S250	Y54-V248 HydrophobicContact CD1-CG2 4.49Å; Y54-V248 HydrophobicContact CE1-CG2 3.99Å; V222-V248 HydrophobicContact CG1-CB 3.67Å; V222-V248 HydrophobicContact CG1-CG2 3.29Å; V248-S250 PolarHBondContact O-N 2.96Å
249	H	70.9	Confident	91.1	Very high	145 Å²	145	31.6 Å²	31.6	67%	0.671	17%	0.165	S	C	*	.	S	Bend	trans	-61.2	134.6	176.6	-59.4	-61.8	0	0	0	112	H251	H249-H251 PolarHBondContact O-N 3.46Å; H249-H251 PolarHBondContact O-ND1 3.15Å
250	S	73.2	Confident	91.1	Very high	113 Å²	113	31.6 Å²	31.6	79%	0.79	17%	0.165	S	C	*	.			trans	-69.9	126.1	174.2	67.3	0	0	0	0	109.8	V248	V248-S250 PolarHBondContact O-N 2.96Å
251	H	85	Confident	91.2	Very high	13 Å²	13	31 Å²	31	6%	0.06	16%	0.161	C	C	.	.			trans	-143.2	164.5	176.9	57.9	-77.3	0	0	0	109.1	H247 H249 Q384 G385 P426	H247-H251 AromaticContact CE1-CE1 3.4Å; H247-H251 PolarHBondContact CE1-CE1 3.45Å; H247-H251 AromaticContact CE1-ND1 3.33Å; H247-H251 PolarHBondContact CE1-ND1 3.26Å; H247-H251 VanDerWaalsContact CE1-ND1 3.33Å; H247-H251 AromaticContact ND1-ND1 3.98Å; H249-H251 PolarHBondContact O-N 3.46Å; H249-H251 PolarHBondContact O-ND1 3.15Å; H251-Q384 PolarHBondContact CD2-O 3.12Å; H251-G385 PolarHBondContact CD2-O 2.81Å; H251-P426 WeakPolarHBondContact O-CD 3.42Å
252	S	91.4	Very high	91.3	Very high	19 Å²	19	29 Å²	29	13%	0.133	16%	0.158	C	C	.	.			trans	-115.3	131.3	176.1	-63.6	0	0	0	0	110.7	N386 V387 K423 L424	S252-N386 PolarHBondContact N-OD1 3.26Å; S252-N386 WeakPolarHBondContact O-CA 3.49Å; S252-V387 PolarHBondContact O-N 3.26Å; S252-K423 VanDerWaalsContact OG-CE 3.3Å; S252-K423 WeakPolarHBondContact OG-CE 3.29Å; S252-L424 WeakPolarHBondContact CA-O 3.41Å
253	I	95.3	Very high	91.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	173.8	-58.3	168.1	0	0	0	107.5	L255 L381 V387 F403 L424	I253-L255 HydrophobicContact CG2-CD2 3.88Å; I253-L255 HydrophobicContact CG2-CG 4.27Å; I253-L381 HydrophobicContact CD1-CB 4.3Å; I253-L381 HydrophobicContact CG2-CD2 4.07Å; I253-V387 CarbonylContact C-O 3.55Å; I253-V387 WeakPolarHBondContact CA-O 3.3Å; I253-F403 HydrophobicContact CD1-CD1 4.41Å; I253-F403 HydrophobicContact CD1-CE1 3.51Å; I253-F403 HydrophobicContact CD1-CE2 4.16Å; I253-F403 HydrophobicContact CD1-CZ 3.38Å; I253-L424 HydrophobicContact CB-CB 4.15Å; I253-L424 PolarHBondContact N-O 2.87Å; I253-L424 WeakPolarHBondContact O-CB 3.42Å; I253-L424 PolarHBondContact O-N 3.44Å
254	Y	97.7	Very high	91.6	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.6	178.4	-59	-97.5	0	0	0	108.2	F289 L295 L298 V387 L388 V389 V421 L422 K423	Y254-F289 HydrophobicContact CD1-CE1 4.24Å; Y254-F289 HydrophobicContact CE1-CE1 4.31Å; Y254-F289 HydrophobicContact CE1-CZ 4.46Å; Y254-L295 HydrophobicContact CD1-CD1 4.37Å; Y254-L295 HydrophobicContact CD2-CD1 4.38Å; Y254-L295 HydrophobicContact CE1-CD1 3.96Å; Y254-L295 HydrophobicContact CE1-CD2 4.26Å; Y254-L295 HydrophobicContact CE2-CD1 4.02Å; Y254-L295 HydrophobicContact CE2-CD2 4.13Å; Y254-L295 WeakPolarHBondContact OH-CD2 3.39Å; Y254-L298 HydrophobicContact CD2-CD1 4.1Å; Y254-L298 HydrophobicContact CE2-CD1 4.44Å; Y254-V387 PolarHBondContact N-O 3.43Å; Y254-L388 CarbonylContact O-C 3.55Å; Y254-L388 WeakPolarHBondContact O-CA 3.24Å; Y254-V389 PolarHBondContact O-N 3.3Å; Y254-V421 HydrophobicContact CD1-CG1 4.03Å; Y254-L422 CarbonylContact C-O 3.54Å; Y254-L422 WeakPolarHBondContact CA-O 3.41Å; Y254-K423 HydrophobicContact CD1-CB 4.08Å; Y254-K423 HydrophobicContact CD1-CG 4.19Å; Y254-K423 HydrophobicContact CE1-CB 3.99Å; Y254-K423 HydrophobicContact CE1-CD 3.91Å; Y254-K423 HydrophobicContact CE1-CG 3.72Å
255	L	98.5	Very high	91.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	176.1	-58.4	-175.6	0	0	0	109.2	I253 V389 M396 L399 L400 L422 L424	I253-L255 HydrophobicContact CG2-CD2 3.88Å; I253-L255 HydrophobicContact CG2-CG 4.27Å; L255-V389 HydrophobicContact CD2-CB 3.68Å; L255-V389 HydrophobicContact CD2-CG2 3.89Å; L255-M396 HydrophobicContact CB-CE 3.83Å; L255-M396 HydrophobicContact CB-CG 4.39Å; L255-M396 WeakPolarHBondContact O-CE 3.49Å; L255-L399 HydrophobicContact CD1-CB 4.05Å; L255-L399 HydrophobicContact CD2-CD1 4.18Å; L255-L400 HydrophobicContact CD1-CD2 3.77Å; L255-L400 HydrophobicContact CD1-CG 3.89Å; L255-L422 HydrophobicContact CB-CB 4.47Å; L255-L422 PolarHBondContact N-O 3.15Å; L255-L422 PolarHBondContact O-N 3.15Å; L255-L424 HydrophobicContact CD1-CD1 3.58Å; L255-L424 HydrophobicContact CD1-CG 4.49Å; L255-L424 HydrophobicContact CG-CD1 4Å
256	C	98.6	Very high	92.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	164.5	166.9	69.7	0	0	0	0	110.3	F282 V389 C391 V421	C256-F282 HydrophobicContact CB-CZ 4.43Å; C256-V389 PolarHBondContact N-O 3.04Å; C256-V389 VanDerWaalsContact N-O 3.08Å; C256-V389 VanDerWaalsContact O-O 3.07Å; C256-C391 PolarHBondContact O-N 2.73Å; C256-V421 HydrophobicContact CB-CG2 4.21Å
257	R	98.8	Very high	92.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	162.6	167.8	-69.1	168.3	59.4	-170.9	-1.6	109.2	C391 M396 C416 L418 T445	R257-C391 CarbonylContact C-O 3.58Å; R257-C391 VanDerWaalsContact CA-O 3.3Å; R257-C391 WeakPolarHBondContact CA-O 3.44Å; R257-M396 HydrophobicContact CG-SD 3.82Å; R257-C416 WeakPolarHBondContact CD-O 3.32Å; R257-C416 PolarHBondContact NH1-O 3.23Å; R257-L418 HydrophobicContact CB-CD2 4.14Å; R257-L418 VanDerWaalsContact CZ-CD2 3.45Å; R257-T445 PolarHBondContact NH1-OG1 3.42Å; R257-T445 PolarHBondContact NH2-OG1 2.87Å
258	H	98.7	Very high	93.5	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-48	155.7	158.6	59.1	80.8	0	0	0	111.5	N264 R307 T308 C391 H392 L418	H258-N264 PolarHBondContact CE1-OD1 2.92Å; H258-R307 HydrophobicContact CB-CB 3.98Å; H258-R307 HydrophobicContact CB-CG 3.92Å; H258-R307 WeakPolarHBondContact CB-O 3.23Å; H258-R307 PolarHBondContact CD2-NE 3.18Å; H258-R307 VanDerWaalsContact CE1-CD 3.49Å; H258-R307 WeakPolarHBondContact CE1-CD 3.46Å; H258-R307 WeakPolarHBondContact NE2-CD 3.42Å; H258-R307 PolarHBondContact NE2-NE 3Å; H258-T308 HydrophobicContact CB-CG2 3.87Å; H258-C391 PolarHBondContact CD2-O 2.79Å; H258-C391 VanDerWaalsContact CD2-O 3.26Å; H258-C391 PolarHBondContact N-O 3.46Å; H258-H392 AromaticContact CD2-CE1 3.83Å; H258-H392 AromaticContact CD2-ND1 3.23Å; H258-H392 PolarHBondContact CD2-ND1 2.66Å; H258-H392 AromaticContact NE2-ND1 3.54Å; H258-L418 WeakPolarHBondContact O-CD2 3.39Å
259	G	98.6	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.9	158	167.2	0	0	0	0	0	112	S261 L275 T311	G259-S261 PolarHBondContact O-N 2.93Å; G259-L275 WeakPolarHBondContact O-CD2 3.38Å; G259-T311 PolarHBondContact N-OG1 3.19Å
260	E	98.8	Very high	95.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-48.3	128.1	177	-176.6	-174.7	-105.2	0	0	111.2	N264 V265 S276 R278 G279 L418 H419 A442 V443	E260-N264 HydrophobicContact CG-CB 4.12Å; E260-V265 HydrophobicContact CG-CG2 4.05Å; E260-V265 WeakPolarHBondContact OE2-CG2 3.36Å; E260-S276 WeakPolarHBondContact O-CB 3.46Å; E260-S276 PolarHBondContact O-N 2.87Å; E260-S276 PolarHBondContact O-OG 3.45Å; E260-S276 PolarHBondContact OE2-OG 2.86Å; E260-R278 VanDerWaalsContact CD-NH2 3.28Å; E260-R278 IonicContact OE1-CZ 3.38Å; E260-R278 IonicContact OE1-NE 3.56Å; E260-R278 IonicContact OE1-NH2 2.78Å; E260-R278 PolarHBondContact OE1-NH2 3.46Å; E260-R278 IonicContact OE2-CZ 3.34Å; E260-R278 IonicContact OE2-NE 2.84Å; E260-R278 PolarHBondContact OE2-NE 3.41Å; E260-R278 IonicContact OE2-NH2 3.02Å; E260-R278 PolarHBondContact OE2-NH2 3.09Å; E260-G279 WeakPolarHBondContact O-CA 3.38Å; E260-L418 HydrophobicContact CB-CD1 4.17Å; E260-L418 HydrophobicContact CG-CD1 4.25Å; E260-H419 PolarHBondContact N-NE2 3.49Å; E260-A442 HydrophobicContact CB-CB 4.46Å; E260-A442 WeakPolarHBondContact OE1-CA 3.38Å; E260-V443 HydrophobicContact CG-CG2 4.42Å; E260-V443 PolarHBondContact OE1-N 2.92Å
261	S	98.7	Very high	96.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-101.7	164.2	178.2	64.7	0	0	0	0	112.1	G259 H263 N264 V265 E274	G259-S261 PolarHBondContact O-N 2.93Å; S261-H263 VanDerWaalsContact C-N 3.28Å; S261-H263 PolarHBondContact O-N 3.27Å; S261-N264 PolarHBondContact N-OD1 2.98Å; S261-N264 WeakPolarHBondContact O-CB 3.13Å; S261-N264 PolarHBondContact O-N 2.9Å; S261-N264 PolarHBondContact OG-N 3.07Å; S261-N264 PolarHBondContact OG-OD1 3.18Å; S261-V265 PolarHBondContact O-N 2.93Å; S261-E274 VanDerWaalsContact CA-O 3.31Å; S261-E274 WeakPolarHBondContact CA-O 3.33Å; S261-E274 WeakPolarHBondContact CB-O 3.32Å
262	N	98.4	Very high	97.5	Very high	66 Å²	66	27.5 Å²	27.5	35%	0.353	16%	0.156	S	C	.	.	H	α-helix	trans	-58.2	-40.4	175.8	-65.3	-26.6	0	0	0	111.9	N264 V265 E266 E274	N262-N264 VanDerWaalsContact C-N 3.27Å; N262-N264 PolarHBondContact O-N 3.5Å; N262-V265 WeakPolarHBondContact O-CB 3.47Å; N262-V265 PolarHBondContact O-N 2.93Å; N262-V265 VanDerWaalsContact O-N 3.15Å; N262-E266 WeakPolarHBondContact O-CG 3.2Å; N262-E266 PolarHBondContact O-N 3.49Å; N262-E274 PolarHBondContact N-O 3.4Å
263	H	98.4	Very high	97.8	Very high	24 Å²	24	27.3 Å²	27.3	11%	0.111	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-30.4	174.2	-76.7	-179.2	0	0	0	113.3	S261 E266 G267 R268 G270 S273	S261-H263 VanDerWaalsContact C-N 3.28Å; S261-H263 PolarHBondContact O-N 3.27Å; H263-E266 PolarHBondContact O-N 3.01Å; H263-G267 PolarHBondContact O-N 2.83Å; H263-R268 HydrophobicContact CB-CB 4.03Å; H263-R268 PolarHBondContact O-N 2.83Å; H263-G270 PolarHBondContact ND1-O 3.07Å; H263-G270 VanDerWaalsContact ND1-O 3.14Å; H263-S273 VanDerWaalsContact CB-OG 3.29Å; H263-S273 WeakPolarHBondContact CB-OG 3.5Å; H263-S273 PolarHBondContact N-OG 3.27Å
264	N	98.3	Very high	97.9	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-44.9	174.1	-57.6	138.1	0	0	0	110.9	H258 E260 S261 N262 E266 G267 L418 V443 T445	H258-N264 PolarHBondContact CE1-OD1 2.92Å; E260-N264 HydrophobicContact CG-CB 4.12Å; S261-N264 PolarHBondContact N-OD1 2.98Å; S261-N264 WeakPolarHBondContact O-CB 3.13Å; S261-N264 PolarHBondContact O-N 2.9Å; S261-N264 PolarHBondContact OG-N 3.07Å; S261-N264 PolarHBondContact OG-OD1 3.18Å; N262-N264 VanDerWaalsContact C-N 3.27Å; N262-N264 PolarHBondContact O-N 3.5Å; N264-E266 VanDerWaalsContact C-N 3.25Å; N264-E266 PolarHBondContact O-N 2.82Å; N264-G267 PolarHBondContact O-N 3.27Å; N264-L418 HydrophobicContact CB-CD1 4.38Å; N264-V443 HydrophobicContact CB-CG2 3.78Å; N264-V443 WeakPolarHBondContact O-CG2 3.4Å; N264-T445 HydrophobicContact CB-CG2 4.26Å
265	V	98.1	Very high	98	Very high	77 Å²	77	30.5 Å²	30.5	47%	0.467	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-39.3	177.8	-179.7	0	0	0	0	111.1	E260 S261 N262 G267	E260-V265 HydrophobicContact CG-CG2 4.05Å; E260-V265 WeakPolarHBondContact OE2-CG2 3.36Å; S261-V265 PolarHBondContact O-N 2.93Å; N262-V265 WeakPolarHBondContact O-CB 3.47Å; N262-V265 PolarHBondContact O-N 2.93Å; N262-V265 VanDerWaalsContact O-N 3.15Å; V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 2.67Å
266	E	97.7	Very high	98	Very high	102 Å²	102	30.7 Å²	30.7	48%	0.477	17%	0.171	S	C	.	.	H	α-helix	trans	-79.2	-8.5	177.4	-65.3	173.8	-151.8	0	0	114.2	N262 H263 N264 R268	N262-E266 WeakPolarHBondContact O-CG 3.2Å; N262-E266 PolarHBondContact O-N 3.49Å; H263-E266 PolarHBondContact O-N 3.01Å; N264-E266 VanDerWaalsContact C-N 3.25Å; N264-E266 PolarHBondContact O-N 2.82Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 HydrophobicContact CB-CG 4.11Å; E266-R268 PolarHBondContact O-N 2.77Å; E266-R268 VanDerWaalsContact OE2-CD 3.27Å; E266-R268 WeakPolarHBondContact OE2-CD 3.35Å; E266-R268 IonicContact OE2-CZ 3.5Å; E266-R268 IonicContact OE2-NE 3.41Å; E266-R268 PolarHBondContact OE2-NE 3.3Å; E266-R268 IonicContact OE2-NH2 2.69Å
267	G	97.1	Very high	98	Very high	39 Å²	39	35.5 Å²	35.5	40%	0.402	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	20.9	-175.9	0	0	0	0	0	114.7	H263 N264 V265 T337	H263-G267 PolarHBondContact O-N 2.83Å; N264-G267 PolarHBondContact O-N 3.27Å; V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 2.67Å; G267-T337 WeakPolarHBondContact O-CA 3.42Å
268	R	97.9	Very high	98	Very high	85 Å²	85	39 Å²	39	32%	0.321	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-85.9	144.5	176.6	-65.1	178.3	-172.8	-93.9	2.3	111.5	H263 E266 E335 M336 T337	H263-R268 HydrophobicContact CB-CB 4.03Å; H263-R268 PolarHBondContact O-N 2.83Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 HydrophobicContact CB-CG 4.11Å; E266-R268 PolarHBondContact O-N 2.77Å; E266-R268 VanDerWaalsContact OE2-CD 3.27Å; E266-R268 WeakPolarHBondContact OE2-CD 3.35Å; E266-R268 IonicContact OE2-CZ 3.5Å; E266-R268 IonicContact OE2-NE 3.41Å; E266-R268 PolarHBondContact OE2-NE 3.3Å; E266-R268 IonicContact OE2-NH2 2.69Å; R268-E335 VanDerWaalsContact CD-O 3.23Å; R268-E335 WeakPolarHBondContact CD-O 3.45Å; R268-E335 WeakPolarHBondContact CG-O 3.09Å; R268-E335 PolarHBondContact NH1-O 2.9Å; R268-M336 WeakPolarHBondContact CA-O 3.45Å; R268-T337 HydrophobicContact CG-CG2 4.02Å
269	I	97.1	Very high	98	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.128	22%	0.215	C	C	.	.			trans	-95.5	154.7	174	69.7	172.4	0	0	0	111.1	A330 C333 E335 M336 Y338 I341	I269-A330 HydrophobicContact CD1-CB 3.68Å; I269-A330 HydrophobicContact CG1-CB 4.25Å; I269-C333 HydrophobicContact CD1-CB 4.4Å; I269-C333 WeakPolarHBondContact CG1-O 3.46Å; I269-E335 VanDerWaalsContact O-CA 3.25Å; I269-E335 WeakPolarHBondContact O-CA 3.15Å; I269-E335 PolarHBondContact O-N 2.66Å; I269-M336 PolarHBondContact N-O 2.69Å; I269-Y338 HydrophobicContact CG2-CD2 4.28Å; I269-Y338 HydrophobicContact CG2-CE1 4.35Å; I269-Y338 HydrophobicContact CG2-CE2 3.71Å; I269-I341 HydrophobicContact CD1-CD1 3.51Å; I269-I341 HydrophobicContact CG1-CD1 4.23Å
270	G	95.4	Very high	97.9	Very high	17 Å²	17	44 Å²	44	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	66.6	-151	176.2	0	0	0	0	0	114.5	H263 E334	H263-G270 PolarHBondContact ND1-O 3.07Å; H263-G270 VanDerWaalsContact ND1-O 3.14Å; G270-E334 VanDerWaalsContact CA-OE2 3.25Å; G270-E334 WeakPolarHBondContact CA-OE2 3.18Å
271	G	96.2	Very high	97.9	Very high	12 Å²	12	50.4 Å²	50.4	12%	0.124	27%	0.265	C	S	.	.	S	Bend	trans	68	-170.9	-177.5	0	0	0	0	0	113.8	R307 E334	G271-R307 PolarHBondContact O-NH1 2.93Å; G271-E334 PolarHBondContact N-OE2 3.24Å
272	D	98	Very high	97.9	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	26%	0.264	S	S	.	.			trans	-131.2	43.6	-176.9	-165.1	28.4	0	0	0	112.5	L305 R306	D272-L305 HydrophobicContact CB-CD2 4.42Å; D272-L305 WeakPolarHBondContact OD1-CA 3.38Å; D272-L305 WeakPolarHBondContact OD1-CB 3.4Å; D272-R306 PolarHBondContact OD1-N 3.39Å; D272-R306 WeakPolarHBondContact OD2-CD 3.06Å; D272-R306 WeakPolarHBondContact OD2-CG 3.42Å
273	S	97.3	Very high	97.9	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.098	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-69.1	153.5	179.5	62.3	0	0	0	0	113.1	H263	H263-S273 VanDerWaalsContact CB-OG 3.29Å; H263-S273 WeakPolarHBondContact CB-OG 3.5Å; H263-S273 PolarHBondContact N-OG 3.27Å
274	E	98.2	Very high	97.9	Very high	68 Å²	68	49.6 Å²	49.6	32%	0.318	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-75.5	167.6	175.7	-61.9	-173.9	-170.3	0	0	112.7	S261 N262 R306	S261-E274 VanDerWaalsContact CA-O 3.31Å; S261-E274 WeakPolarHBondContact CA-O 3.33Å; S261-E274 WeakPolarHBondContact CB-O 3.32Å; N262-E274 PolarHBondContact N-O 3.4Å; E274-R306 IonicContact OE1-CZ 2.78Å; E274-R306 IonicContact OE1-NH1 3.3Å; E274-R306 PolarHBondContact OE1-NH1 3Å; E274-R306 IonicContact OE1-NH2 3.44Å; E274-R306 PolarHBondContact OE1-NH2 2.92Å
275	L	98.6	Very high	97.9	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-61.8	139.1	171	-65.3	-177.2	0	0	0	112.2	G259 K280 R307 Q310	G259-L275 WeakPolarHBondContact O-CD2 3.38Å; L275-K280 HydrophobicContact CB-CG 4.01Å; L275-K280 HydrophobicContact CD1-CG 4.33Å; L275-R307 HydrophobicContact CD2-CB 4.04Å; L275-Q310 HydrophobicContact CD1-CB 3.62Å; L275-Q310 HydrophobicContact CG-CB 3.89Å
276	S	98.6	Very high	97.9	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.028	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.7	167.5	165.9	89	0	0	0	0	110.2	E260 R278 G279 K280	E260-S276 WeakPolarHBondContact O-CB 3.46Å; E260-S276 PolarHBondContact O-N 2.87Å; E260-S276 PolarHBondContact O-OG 3.45Å; E260-S276 PolarHBondContact OE2-OG 2.86Å; S276-R278 PolarHBondContact O-N 3.16Å; S276-R278 PolarHBondContact OG-N 3.2Å; S276-R278 VanDerWaalsContact OG-N 3.16Å; S276-G279 WeakPolarHBondContact O-CA 3.25Å; S276-G279 PolarHBondContact O-N 3.35Å; S276-G279 PolarHBondContact OG-N 3Å; S276-G279 VanDerWaalsContact OG-N 3.13Å; S276-K280 PolarHBondContact O-N 2.86Å
277	P	98.5	Very high	97.8	Very high	101 Å²	101	44.1 Å²	44.1	66%	0.656	23%	0.229	S	C	*	.	H	α-helix	trans	-55.6	-33.3	171.8	-26.5	35.6	0	0	0	113.4	K281	P277-K281 WeakPolarHBondContact O-CG 3.19Å; P277-K281 PolarHBondContact O-N 3.03Å
278	R	98.4	Very high	97.7	Very high	77 Å²	77	46.2 Å²	46.2	29%	0.291	23%	0.231	S	C	.	.	H	α-helix	trans	-74.3	-36.4	174.6	-65.6	-173.1	-65.6	-166.5	-4.3	111.7	E260 S276 K280 K281 F282 V440 E441	E260-R278 VanDerWaalsContact CD-NH2 3.28Å; E260-R278 IonicContact OE1-CZ 3.38Å; E260-R278 IonicContact OE1-NE 3.56Å; E260-R278 IonicContact OE1-NH2 2.78Å; E260-R278 PolarHBondContact OE1-NH2 3.46Å; E260-R278 IonicContact OE2-CZ 3.34Å; E260-R278 IonicContact OE2-NE 2.84Å; E260-R278 PolarHBondContact OE2-NE 3.41Å; E260-R278 IonicContact OE2-NH2 3.02Å; E260-R278 PolarHBondContact OE2-NH2 3.09Å; S276-R278 PolarHBondContact O-N 3.16Å; S276-R278 PolarHBondContact OG-N 3.2Å; S276-R278 VanDerWaalsContact OG-N 3.16Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 3.41Å; R278-K281 WeakPolarHBondContact O-CB 3.27Å; R278-K281 PolarHBondContact O-N 2.91Å; R278-F282 PolarHBondContact O-N 3.45Å; R278-V440 HydrophobicContact CB-CG1 4.32Å; R278-V440 WeakPolarHBondContact O-CG1 3.46Å; R278-E441 WeakPolarHBondContact CD-O 3.44Å
279	G	98.6	Very high	97.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-39.9	173.3	0	0	0	0	0	113.2	E260 S276 F282 A283	E260-G279 WeakPolarHBondContact O-CA 3.38Å; S276-G279 WeakPolarHBondContact O-CA 3.25Å; S276-G279 PolarHBondContact O-N 3.35Å; S276-G279 PolarHBondContact OG-N 3Å; S276-G279 VanDerWaalsContact OG-N 3.13Å; G279-F282 WeakPolarHBondContact O-CB 2.92Å; G279-F282 PolarHBondContact O-N 3.01Å; G279-A283 PolarHBondContact O-N 3.31Å
280	K	98.4	Very high	97.4	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	22%	0.217	S	C	.	.	H	α-helix	trans	-64.5	-42.5	173.8	-65	-178.2	-177.6	-176.6	0	112.2	L275 S276 R278 F282 A283 H284	L275-K280 HydrophobicContact CB-CG 4.01Å; L275-K280 HydrophobicContact CD1-CG 4.33Å; S276-K280 PolarHBondContact O-N 2.86Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 3.41Å; K280-F282 VanDerWaalsContact C-N 3.3Å; K280-F282 PolarHBondContact O-N 3.38Å; K280-A283 WeakPolarHBondContact O-CB 3.4Å; K280-A283 PolarHBondContact O-N 2.58Å; K280-A283 VanDerWaalsContact O-N 3.12Å; K280-H284 PolarHBondContact O-CD2 3.4Å; K280-H284 PolarHBondContact O-N 3.25Å; K280-H284 VanDerWaalsContact O-N 3.12Å
281	K	98.4	Very high	97.3	Very high	136 Å²	136	47.6 Å²	47.6	59%	0.591	24%	0.236	S	C	*	.	H	α-helix	trans	-58.8	-40.3	173.1	-70.4	179.4	-178.7	-175	0	112.4	P277 R278 H284 A285 V440	P277-K281 WeakPolarHBondContact O-CG 3.19Å; P277-K281 PolarHBondContact O-N 3.03Å; R278-K281 WeakPolarHBondContact O-CB 3.27Å; R278-K281 PolarHBondContact O-N 2.91Å; K281-H284 PolarHBondContact O-N 2.85Å; K281-A285 PolarHBondContact O-N 3.41Å; K281-V440 HydrophobicContact CB-CG1 3.96Å; K281-V440 HydrophobicContact CB-CG2 4.27Å
282	F	98.7	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-40.6	174.2	165.8	-102.5	0	0	0	112.3	C256 R278 G279 K280 H284 A285 L286 T311 H419 L438 V440	C256-F282 HydrophobicContact CB-CZ 4.43Å; R278-F282 PolarHBondContact O-N 3.45Å; G279-F282 WeakPolarHBondContact O-CB 2.92Å; G279-F282 PolarHBondContact O-N 3.01Å; K280-F282 VanDerWaalsContact C-N 3.3Å; K280-F282 PolarHBondContact O-N 3.38Å; F282-H284 VanDerWaalsContact C-N 3.31Å; F282-H284 PolarHBondContact O-N 2.79Å; F282-A285 PolarHBondContact O-N 2.9Å; F282-L286 HydrophobicContact CE1-CD2 4.23Å; F282-L286 HydrophobicContact CZ-CB 4.39Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 WeakPolarHBondContact O-CB 3.18Å; F282-L286 PolarHBondContact O-N 3.23Å; F282-T311 HydrophobicContact CD1-CG2 4.28Å; F282-T311 HydrophobicContact CE1-CG2 3.97Å; F282-H419 HydrophobicContact CB-CB 4.43Å; F282-H419 WeakPolarHBondContact CB-CD2 3.14Å; F282-H419 WeakPolarHBondContact CB-NE2 3.17Å; F282-H419 AromaticContact CD1-CD2 3.77Å; F282-H419 VanDerWaalsContact CD2-CA 3.41Å; F282-H419 HydrophobicContact CD2-CB 3.54Å; F282-H419 AromaticContact CD2-CD2 3.72Å; F282-H419 AromaticContact CD2-CG 3.7Å; F282-H419 HydrophobicContact CE2-CB 4.05Å; F282-H419 HydrophobicContact CG-CB 4.09Å; F282-H419 AromaticContact CG-CD2 3.3Å; F282-H419 WeakPolarHBondContact CG-CD2 3.24Å; F282-H419 AromaticContact CG-CG 3.7Å; F282-H419 AromaticContact CG-NE2 3.9Å; F282-L438 HydrophobicContact CD2-CB 4.29Å; F282-L438 HydrophobicContact CD2-CD1 4.06Å; F282-L438 HydrophobicContact CD2-CG 4.48Å; F282-L438 HydrophobicContact CE2-CB 4.37Å; F282-L438 HydrophobicContact CE2-CD1 3.58Å; F282-L438 HydrophobicContact CE2-CG 4.07Å; F282-L438 HydrophobicContact CZ-CD1 4.48Å; F282-V440 HydrophobicContact CB-CB 4.39Å; F282-V440 HydrophobicContact CB-CG1 4.39Å
283	A	98.4	Very high	96.6	Very high	2 Å²	2	55 Å²	55	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-41.3	177.7	0	0	0	0	0	111.7	G279 K280 L286 R287 T311 E314	G279-A283 PolarHBondContact O-N 3.31Å; K280-A283 WeakPolarHBondContact O-CB 3.4Å; K280-A283 PolarHBondContact O-N 2.58Å; K280-A283 VanDerWaalsContact O-N 3.12Å; A283-L286 PolarHBondContact O-N 2.88Å; A283-R287 PolarHBondContact O-N 3.45Å; A283-R287 VanDerWaalsContact O-N 3.13Å; A283-T311 HydrophobicContact CB-CG2 4.17Å; A283-E314 HydrophobicContact CB-CB 3.67Å; A283-E314 HydrophobicContact CB-CG 3.92Å
284	H	97.8	Very high	96.2	Very high	74 Å²	74	62.4 Å²	62.4	34%	0.343	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-49.1	171.2	-65	-65.2	0	0	0	112	K280 K281 F282 L286 R287 D288 E314	K280-H284 PolarHBondContact O-CD2 3.4Å; K280-H284 PolarHBondContact O-N 3.25Å; K280-H284 VanDerWaalsContact O-N 3.12Å; K281-H284 PolarHBondContact O-N 2.85Å; F282-H284 VanDerWaalsContact C-N 3.31Å; F282-H284 PolarHBondContact O-N 2.79Å; H284-L286 PolarHBondContact O-N 3.33Å; H284-R287 WeakPolarHBondContact O-CB 3.46Å; H284-R287 PolarHBondContact O-N 3.37Å; H284-D288 PolarHBondContact O-N 3.06Å; H284-E314 IonicContact CE1-OE1 3.8Å; H284-E314 PolarHBondContact CE1-OE1 2.78Å; H284-E314 IonicContact CE1-OE2 2.78Å; H284-E314 PolarHBondContact CE1-OE2 3.35Å; H284-E314 VanDerWaalsContact CE1-OE2 3.26Å; H284-E314 IonicContact CG-OE1 3.3Å; H284-E314 WeakPolarHBondContact ND1-CG 3.4Å; H284-E314 IonicContact ND1-OE1 3.99Å; H284-E314 PolarHBondContact ND1-OE1 2.92Å; H284-E314 IonicContact ND1-OE2 3.9Å
285	A	98.1	Very high	95.4	Very high	21 Å²	21	60.4 Å²	60.4	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-29.8	179.1	0	0	0	0	0	112.8	K281 F282 F289 L438 V440	K281-A285 PolarHBondContact O-N 3.41Å; F282-A285 PolarHBondContact O-N 2.9Å; A285-F289 WeakPolarHBondContact O-CB 3.04Å; A285-F289 PolarHBondContact O-N 3.33Å; A285-L438 HydrophobicContact CB-CB 4.02Å; A285-L438 HydrophobicContact CB-CD1 4.42Å; A285-V440 HydrophobicContact CB-CG2 4.23Å
286	L	97.9	Very high	94.1	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-69.4	-37.4	174.1	-177.8	62.3	0	0	0	111.7	F282 A283 H284 F289 I290 T311 L315 L388 I390 V421 L438	F282-L286 HydrophobicContact CE1-CD2 4.23Å; F282-L286 HydrophobicContact CZ-CB 4.39Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 WeakPolarHBondContact O-CB 3.18Å; F282-L286 PolarHBondContact O-N 3.23Å; A283-L286 PolarHBondContact O-N 2.88Å; H284-L286 PolarHBondContact O-N 3.33Å; L286-F289 HydrophobicContact CD1-CD1 4.44Å; L286-F289 PolarHBondContact O-N 3.18Å; L286-I290 HydrophobicContact CG-CD1 4.44Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.49Å; L286-I290 VanDerWaalsContact O-N 3.09Å; L286-T311 HydrophobicContact CD2-CG2 4Å; L286-L315 HydrophobicContact CB-CD2 4.02Å; L286-L315 HydrophobicContact CD2-CD1 4.34Å; L286-L315 HydrophobicContact CD2-CD2 4.04Å; L286-L315 HydrophobicContact CG-CD2 3.79Å; L286-L388 HydrophobicContact CD2-CD2 4.48Å; L286-I390 HydrophobicContact CD2-CD1 4.25Å; L286-V421 HydrophobicContact CD1-CG2 3.58Å; L286-L438 HydrophobicContact CB-CD1 3.97Å; L286-L438 HydrophobicContact CD1-CD1 4Å
287	R	96.2	Very high	93.3	Very high	65 Å²	65	71 Å²	71	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-51.5	171	-177.8	-175.3	64	-144.9	-2.9	110.3	A283 H284 F289 I290 E291 E314 L315	A283-R287 PolarHBondContact O-N 3.45Å; A283-R287 VanDerWaalsContact O-N 3.13Å; H284-R287 WeakPolarHBondContact O-CB 3.46Å; H284-R287 PolarHBondContact O-N 3.37Å; R287-F289 PolarHBondContact O-N 2.92Å; R287-I290 PolarHBondContact O-N 3.2Å; R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact NE-OE1 3.71Å; R287-E291 PolarHBondContact O-N 3.28Å; R287-E314 IonicContact CZ-OE1 2.77Å; R287-E314 IonicContact NH1-OE1 3.32Å; R287-E314 PolarHBondContact NH1-OE1 3.39Å; R287-L315 HydrophobicContact CB-CD2 3.98Å
288	D	95.4	Very high	92.9	Very high	83 Å²	83	67.4 Å²	67.4	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-38.9	-179	-58.1	-13.9	0	0	0	111	H284 E291 E292	H284-D288 PolarHBondContact O-N 3.06Å; D288-E291 PolarHBondContact O-N 2.82Å; D288-E292 VanDerWaalsContact O-CB 3.31Å; D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 PolarHBondContact O-N 3.39Å
289	F	95.4	Very high	92.8	Very high	11 Å²	11	67.6 Å²	67.6	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-41.4	173.7	174.1	-92.1	0	0	0	113.2	Y254 A285 L286 R287 E291 Y293 L295 V421 F436 L438	Y254-F289 HydrophobicContact CD1-CE1 4.24Å; Y254-F289 HydrophobicContact CE1-CE1 4.31Å; Y254-F289 HydrophobicContact CE1-CZ 4.46Å; A285-F289 WeakPolarHBondContact O-CB 3.04Å; A285-F289 PolarHBondContact O-N 3.33Å; L286-F289 HydrophobicContact CD1-CD1 4.44Å; L286-F289 PolarHBondContact O-N 3.18Å; R287-F289 PolarHBondContact O-N 2.92Å; F289-E291 VanDerWaalsContact C-N 3.34Å; F289-Y293 AromaticContact CD2-CD2 3.65Å; F289-Y293 HydrophobicContact CD2-CD2 3.65Å; F289-Y293 AromaticContact CD2-CE2 3.5Å; F289-Y293 HydrophobicContact CD2-CE2 3.5Å; F289-Y293 AromaticContact CE2-CD2 3.54Å; F289-Y293 HydrophobicContact CE2-CD2 3.54Å; F289-Y293 HydrophobicContact CE2-CE1 4.35Å; F289-Y293 AromaticContact CE2-CE2 3.29Å; F289-Y293 HydrophobicContact CE2-CE2 3.29Å; F289-Y293 HydrophobicContact CE2-CG 4.19Å; F289-Y293 AromaticContact CE2-CZ 3.73Å; F289-Y293 HydrophobicContact CG-CD2 4.24Å; F289-Y293 HydrophobicContact CG-CE2 4.49Å; F289-Y293 HydrophobicContact CZ-CD2 4.02Å; F289-Y293 HydrophobicContact CZ-CE2 4.13Å; F289-Y293 HydrophobicContact CZ-CG 4.25Å; F289-Y293 VanDerWaalsContact O-CD2 3.25Å; F289-Y293 WeakPolarHBondContact O-CD2 3.36Å; F289-Y293 PolarHBondContact O-N 3.26Å; F289-Y293 VanDerWaalsContact O-N 3.16Å; F289-L295 HydrophobicContact CE1-CD1 4.48Å; F289-V421 HydrophobicContact CD1-CG2 4.49Å; F289-V421 HydrophobicContact CE1-CB 4.46Å; F289-V421 HydrophobicContact CE1-CG1 4Å; F289-V421 HydrophobicContact CE1-CG2 4.49Å; F289-V421 HydrophobicContact CZ-CG1 4.28Å; F289-F436 HydrophobicContact CE2-CB 3.82Å; F289-F436 AromaticContact CE2-CD1 3.86Å; F289-F436 HydrophobicContact CE2-CD1 3.86Å; F289-F436 HydrophobicContact CE2-CD2 4.12Å; F289-F436 HydrophobicContact CE2-CE1 4.47Å; F289-F436 AromaticContact CE2-CG 3.66Å; F289-F436 HydrophobicContact CE2-CG 3.66Å; F289-F436 HydrophobicContact CZ-CB 4.34Å; F289-F436 HydrophobicContact CZ-CD1 4.49Å; F289-F436 HydrophobicContact CZ-CD2 4Å; F289-F436 HydrophobicContact CZ-CE2 4.46Å; F289-F436 HydrophobicContact CZ-CG 4.02Å; F289-L438 HydrophobicContact CB-CD1 4.25Å; F289-L438 HydrophobicContact CB-CD2 4.12Å; F289-L438 HydrophobicContact CD2-CD2 3.83Å; F289-L438 HydrophobicContact CG-CD2 4.07Å
290	I	93.3	Very high	92.8	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.108	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-40.6	178.8	-68.8	168.5	0	0	0	110.6	L286 R287 E294 L295 L298 L315 L388	L286-I290 HydrophobicContact CG-CD1 4.44Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.49Å; L286-I290 VanDerWaalsContact O-N 3.09Å; R287-I290 PolarHBondContact O-N 3.2Å; I290-E294 PolarHBondContact O-N 3.13Å; I290-L295 HydrophobicContact CG1-CD1 4.33Å; I290-L295 HydrophobicContact CG2-CB 4.34Å; I290-L295 PolarHBondContact O-N 2.98Å; I290-L298 HydrophobicContact CD1-CD2 4.06Å; I290-L298 HydrophobicContact CG1-CD2 4.14Å; I290-L298 HydrophobicContact CG2-CD2 3.97Å; I290-L315 HydrophobicContact CD1-CD1 3.73Å; I290-L315 HydrophobicContact CD1-CD2 3.95Å; I290-L315 HydrophobicContact CD1-CG 4.3Å; I290-L388 HydrophobicContact CD1-CD2 3.67Å; I290-L388 HydrophobicContact CG1-CD2 4.49Å
291	E	92.1	Very high	92.8	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-66.4	-46.5	177.4	-69	176.8	-173.2	0	0	111.5	R287 D288 F289 Y293 E294	R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact NE-OE1 3.71Å; R287-E291 PolarHBondContact O-N 3.28Å; D288-E291 PolarHBondContact O-N 2.82Å; F289-E291 VanDerWaalsContact C-N 3.34Å; E291-Y293 VanDerWaalsContact C-N 3.34Å; E291-Y293 PolarHBondContact O-N 2.88Å; E291-E294 PolarHBondContact O-N 3.26Å
292	E	92.4	Very high	92.8	Very high	147 Å²	147	56.1 Å²	56.1	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-38.9	-179.6	-176.7	-175.3	173.6	0	0	112.7	D288 E294	D288-E292 VanDerWaalsContact O-CB 3.31Å; D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 PolarHBondContact O-N 3.39Å; E292-E294 VanDerWaalsContact C-N 3.28Å; E292-E294 PolarHBondContact O-N 3.49Å
293	Y	88.5	Confident	92.8	Very high	92 Å²	92	56.1 Å²	56.1	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.9	-178.8	-77.3	-102.6	0	0	0	113.4	F289 E291 L295 F436	F289-Y293 AromaticContact CD2-CD2 3.65Å; F289-Y293 HydrophobicContact CD2-CD2 3.65Å; F289-Y293 AromaticContact CD2-CE2 3.5Å; F289-Y293 HydrophobicContact CD2-CE2 3.5Å; F289-Y293 AromaticContact CE2-CD2 3.54Å; F289-Y293 HydrophobicContact CE2-CD2 3.54Å; F289-Y293 HydrophobicContact CE2-CE1 4.35Å; F289-Y293 AromaticContact CE2-CE2 3.29Å; F289-Y293 HydrophobicContact CE2-CE2 3.29Å; F289-Y293 HydrophobicContact CE2-CG 4.19Å; F289-Y293 AromaticContact CE2-CZ 3.73Å; F289-Y293 HydrophobicContact CG-CD2 4.24Å; F289-Y293 HydrophobicContact CG-CE2 4.49Å; F289-Y293 HydrophobicContact CZ-CD2 4.02Å; F289-Y293 HydrophobicContact CZ-CE2 4.13Å; F289-Y293 HydrophobicContact CZ-CG 4.25Å; F289-Y293 VanDerWaalsContact O-CD2 3.25Å; F289-Y293 WeakPolarHBondContact O-CD2 3.36Å; F289-Y293 PolarHBondContact O-N 3.26Å; F289-Y293 VanDerWaalsContact O-N 3.16Å; E291-Y293 VanDerWaalsContact C-N 3.34Å; E291-Y293 PolarHBondContact O-N 2.88Å; Y293-L295 VanDerWaalsContact C-N 3.27Å; Y293-L295 PolarHBondContact O-N 3.15Å; Y293-F436 HydrophobicContact CE1-CE1 4.02Å; Y293-F436 HydrophobicContact CE1-CZ 4.29Å; Y293-F436 AromaticContact CZ-CE1 3.82Å; Y293-F436 WeakPolarHBondContact OH-CE1 3.48Å
294	E	87.5	Confident	92.8	Very high	168 Å²	168	60.2 Å²	60.2	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	49.9	178.1	-62.7	-176	167.7	0	0	112.4	I290 E291 E292 S296	I290-E294 PolarHBondContact O-N 3.13Å; E291-E294 PolarHBondContact O-N 3.26Å; E292-E294 VanDerWaalsContact C-N 3.28Å; E292-E294 PolarHBondContact O-N 3.49Å; E294-S296 VanDerWaalsContact C-N 3.27Å; E294-S296 PolarHBondContact O-N 2.92Å
295	L	82.8	Confident	92.9	Very high	26 Å²	26	58 Å²	58	14%	0.136	29%	0.287	C	S	.	.			trans	-72.6	80.6	-176.1	-56	-176.5	0	0	0	110.9	Y254 F289 I290 Y293 L298	Y254-L295 HydrophobicContact CD1-CD1 4.37Å; Y254-L295 HydrophobicContact CD2-CD1 4.38Å; Y254-L295 HydrophobicContact CE1-CD1 3.96Å; Y254-L295 HydrophobicContact CE1-CD2 4.26Å; Y254-L295 HydrophobicContact CE2-CD1 4.02Å; Y254-L295 HydrophobicContact CE2-CD2 4.13Å; Y254-L295 WeakPolarHBondContact OH-CD2 3.39Å; F289-L295 HydrophobicContact CE1-CD1 4.48Å; I290-L295 HydrophobicContact CG1-CD1 4.33Å; I290-L295 HydrophobicContact CG2-CB 4.34Å; I290-L295 PolarHBondContact O-N 2.98Å; Y293-L295 VanDerWaalsContact C-N 3.27Å; Y293-L295 PolarHBondContact O-N 3.15Å; L295-L298 HydrophobicContact CB-CB 4.19Å; L295-L298 HydrophobicContact CB-CD2 4.13Å; L295-L298 HydrophobicContact CD1-CD1 4.48Å; L295-L298 HydrophobicContact CD1-CD2 3.99Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å
296	S	70.6	Confident	92.9	Very high	82 Å²	82	62.3 Å²	62.3	57%	0.573	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	142.7	176.8	62.1	0	0	0	0	111.8	E294 L298	E294-S296 VanDerWaalsContact C-N 3.27Å; E294-S296 PolarHBondContact O-N 2.92Å; S296-L298 PolarHBondContact O-N 2.9Å
297	D	82.4	Confident	92.9	Very high	152 Å²	152	62.7 Å²	62.7	81%	0.813	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.9	-179.9	-59.4	-34.6	0	0	0	114.6	K299	D297-K299 PolarHBondContact O-N 3.26Å
298	L	90.6	Very high	93	Very high	27 Å²	27	59.6 Å²	59.6	14%	0.141	29%	0.288	C	S	.	.			trans	-70.3	117.6	178.6	-174.9	69.2	0	0	0	111.1	Y254 I290 L295 S296 V300 N386 L388	Y254-L298 HydrophobicContact CD2-CD1 4.1Å; Y254-L298 HydrophobicContact CE2-CD1 4.44Å; I290-L298 HydrophobicContact CD1-CD2 4.06Å; I290-L298 HydrophobicContact CG1-CD2 4.14Å; I290-L298 HydrophobicContact CG2-CD2 3.97Å; L295-L298 HydrophobicContact CB-CB 4.19Å; L295-L298 HydrophobicContact CB-CD2 4.13Å; L295-L298 HydrophobicContact CD1-CD1 4.48Å; L295-L298 HydrophobicContact CD1-CD2 3.99Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å; S296-L298 PolarHBondContact O-N 2.9Å; L298-V300 HydrophobicContact CD2-CG2 4.38Å; L298-V300 HydrophobicContact CG-CG2 4.44Å; L298-N386 HydrophobicContact CD1-CB 4.23Å; L298-L388 HydrophobicContact CD1-CB 3.95Å; L298-L388 HydrophobicContact CD2-CB 3.96Å; L298-L388 HydrophobicContact CD2-CD2 4.31Å; L298-L388 HydrophobicContact CG-CB 4.11Å
299	K	95.8	Very high	93.2	Very high	80 Å²	80	56.7 Å²	56.7	35%	0.348	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.4	168	-64.2	-174.2	175.8	-173.8	0	110	D297 Q384 N386 V387 L388	D297-K299 PolarHBondContact O-N 3.26Å; K299-Q384 VanDerWaalsContact NZ-CD 3.26Å; K299-Q384 VanDerWaalsContact NZ-NE2 3.2Å; K299-N386 PolarHBondContact N-O 2.83Å; K299-V387 HydrophobicContact CB-CG2 4.35Å; K299-V387 CarbonylContact O-C 3.59Å; K299-V387 WeakPolarHBondContact O-CA 3.49Å; K299-L388 PolarHBondContact O-N 3.19Å
300	V	97.9	Very high	93.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.3	177.5	-176.7	0	0	0	0	110	L298 A312 L315 V317 Y319 E320 L388 I390	L298-V300 HydrophobicContact CD2-CG2 4.38Å; L298-V300 HydrophobicContact CG-CG2 4.44Å; V300-A312 HydrophobicContact CG1-CB 4.35Å; V300-L315 HydrophobicContact CG1-CD1 4.28Å; V300-V317 HydrophobicContact CB-CG2 4.43Å; V300-V317 HydrophobicContact CG2-CG2 3.6Å; V300-Y319 CarbonylContact O-C 3.55Å; V300-Y319 WeakPolarHBondContact O-CA 3.38Å; V300-Y319 WeakPolarHBondContact O-CB 3.43Å; V300-E320 PolarHBondContact O-N 2.94Å; V300-L388 CarbonylContact C-O 3.58Å; V300-L388 WeakPolarHBondContact CA-O 3.4Å; V300-L388 HydrophobicContact CG1-CD2 4.44Å; V300-L388 HydrophobicContact CG2-CB 4.4Å; V300-L388 HydrophobicContact CG2-CD2 4.32Å; V300-I390 HydrophobicContact CG1-CD1 3.9Å; V300-I390 HydrophobicContact CG1-CG1 4.5Å
301	W	98.7	Very high	93.6	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.5	175.6	-60.2	-19.1	0	0	0	111.3	E320 W322 L325 V377 E380 L381 Q384 V387 L388 V389 I390	W301-E320 WeakPolarHBondContact CA-O 3.47Å; W301-W322 AromaticContact CD1-NE1 3.91Å; W301-W322 HydrophobicContact CZ2-CZ2 4.42Å; W301-L325 HydrophobicContact CB-CD1 4.04Å; W301-V377 HydrophobicContact CE3-CG1 4.41Å; W301-V377 HydrophobicContact CZ3-CG1 4.2Å; W301-E380 HydrophobicContact CH2-CB 3.69Å; W301-E380 HydrophobicContact CH2-CG 3.34Å; W301-E380 HydrophobicContact CZ2-CB 4.4Å; W301-E380 HydrophobicContact CZ2-CG 3.57Å; W301-E380 HydrophobicContact CZ3-CB 4.28Å; W301-E380 HydrophobicContact CZ3-CG 4.31Å; W301-L381 HydrophobicContact CE3-CD2 4.1Å; W301-L381 HydrophobicContact CH2-CD2 3.86Å; W301-L381 HydrophobicContact CH2-CG 4.26Å; W301-L381 HydrophobicContact CZ3-CD2 3.36Å; W301-L381 HydrophobicContact CZ3-CG 3.67Å; W301-Q384 HydrophobicContact CH2-CG 4.2Å; W301-Q384 HydrophobicContact CZ2-CG 4Å; W301-V387 HydrophobicContact CD2-CG1 3.71Å; W301-V387 HydrophobicContact CE3-CG1 3.82Å; W301-V387 HydrophobicContact CG-CG1 4.26Å; W301-V387 HydrophobicContact CH2-CG1 4.09Å; W301-V387 HydrophobicContact CH2-CG2 4.37Å; W301-V387 HydrophobicContact CZ2-CG1 4.05Å; W301-V387 HydrophobicContact CZ2-CG2 4.31Å; W301-V387 HydrophobicContact CZ3-CG1 4.03Å; W301-L388 PolarHBondContact N-O 2.94Å; W301-V389 HydrophobicContact CE3-CG2 3.93Å; W301-I390 PolarHBondContact O-N 2.96Å
302	T	98.9	Very high	93.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	165.5	177	72.5	0	0	0	0	110.9	A312 Y319 E320 W322 I390	T302-A312 HydrophobicContact CG2-CB 3.41Å; T302-A312 VanDerWaalsContact CG2-CB 3.41Å; T302-Y319 HydrophobicContact CG2-CD2 3.78Å; T302-Y319 HydrophobicContact CG2-CE2 4.45Å; T302-Y319 HydrophobicContact CG2-CG 4.3Å; T302-E320 PolarHBondContact N-O 3.48Å; T302-W322 PolarHBondContact O-N 3.05Å; T302-I390 WeakPolarHBondContact CA-O 3.48Å; T302-I390 HydrophobicContact CG2-CB 4.47Å
303	S	98.8	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.			trans	-73.3	-180	158.1	84.8	0	0	0	0	111.6	L305 T308 L325 N326 H392	S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 WeakPolarHBondContact OG-CB 3.37Å; S303-L305 PolarHBondContact OG-N 3.07Å; S303-T308 PolarHBondContact N-OG1 2.93Å; S303-T308 PolarHBondContact O-OG1 2.82Å; S303-T308 WeakPolarHBondContact OG-CG2 3.31Å; S303-T308 PolarHBondContact OG-OG1 2.69Å; S303-L325 VanDerWaalsContact CB-C 3.47Å; S303-L325 VanDerWaalsContact CB-O 3.25Å; S303-L325 WeakPolarHBondContact CB-O 3.49Å; S303-N326 WeakPolarHBondContact CB-OD1 3.38Å; S303-H392 VanDerWaalsContact CB-NE2 3.27Å; S303-H392 WeakPolarHBondContact CB-NE2 3.45Å; S303-H392 PolarHBondContact OG-NE2 3.06Å
304	Q	98.6	Very high	94.5	Very high	88 Å²	88	47.6 Å²	47.6	41%	0.411	23%	0.233	S	C	.	.	S	Bend	trans	-88.5	3.1	170.7	-71.3	-176.4	-20.8	0	0	113.6	Q321 K323 N326	Q304-Q321 HydrophobicContact CG-CB 4.15Å; Q304-K323 HydrophobicContact CG-CB 4.32Å; Q304-N326 PolarHBondContact N-OD1 3.43Å
305	L	98.6	Very high	94.8	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.141	20%	0.197	C	C	.	.	S	Bend	trans	-85.8	141.4	179.6	-57.5	-179.6	0	0	0	111.1	D272 S303 R307 T308 I309 N326 E327	D272-L305 HydrophobicContact CB-CD2 4.42Å; D272-L305 WeakPolarHBondContact OD1-CA 3.38Å; D272-L305 WeakPolarHBondContact OD1-CB 3.4Å; S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 WeakPolarHBondContact OG-CB 3.37Å; S303-L305 PolarHBondContact OG-N 3.07Å; L305-R307 VanDerWaalsContact C-N 3.28Å; L305-R307 PolarHBondContact O-N 3.37Å; L305-R307 VanDerWaalsContact O-N 3.15Å; L305-T308 PolarHBondContact O-N 2.78Å; L305-T308 PolarHBondContact O-OG1 3.45Å; L305-I309 PolarHBondContact O-N 3.22Å; L305-N326 HydrophobicContact CD1-CB 4.31Å; L305-N326 HydrophobicContact CG-CB 4.41Å; L305-E327 HydrophobicContact CD1-CB 4.33Å
306	R	98.4	Very high	95.1	Very high	112 Å²	112	43.6 Å²	43.6	42%	0.423	23%	0.225	S	C	.	.	H	α-helix	trans	-53.5	-42.8	-169	-66.1	177	84.9	-154.8	-2.9	112.6	D272 E274 T308 I309 Q310	D272-R306 PolarHBondContact OD1-N 3.39Å; D272-R306 WeakPolarHBondContact OD2-CD 3.06Å; D272-R306 WeakPolarHBondContact OD2-CG 3.42Å; E274-R306 IonicContact OE1-CZ 2.78Å; E274-R306 IonicContact OE1-NH1 3.3Å; E274-R306 PolarHBondContact OE1-NH1 3Å; E274-R306 IonicContact OE1-NH2 3.44Å; E274-R306 PolarHBondContact OE1-NH2 2.92Å; R306-T308 PolarHBondContact O-N 3.46Å; R306-I309 PolarHBondContact O-N 3.25Å; R306-Q310 WeakPolarHBondContact O-CB 3.49Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 2.96Å
307	R	98.6	Very high	96.1	Very high	9 Å²	9	42.3 Å²	42.3	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-37.7	179.2	60.4	-168.5	-178.8	-93.9	3.1	114.6	H258 G271 L275 L305 T311 H392	H258-R307 HydrophobicContact CB-CB 3.98Å; H258-R307 HydrophobicContact CB-CG 3.92Å; H258-R307 WeakPolarHBondContact CB-O 3.23Å; H258-R307 PolarHBondContact CD2-NE 3.18Å; H258-R307 VanDerWaalsContact CE1-CD 3.49Å; H258-R307 WeakPolarHBondContact CE1-CD 3.46Å; H258-R307 WeakPolarHBondContact NE2-CD 3.42Å; H258-R307 PolarHBondContact NE2-NE 3Å; G271-R307 PolarHBondContact O-NH1 2.93Å; L275-R307 HydrophobicContact CD2-CB 4.04Å; L305-R307 VanDerWaalsContact C-N 3.28Å; L305-R307 PolarHBondContact O-N 3.37Å; L305-R307 VanDerWaalsContact O-N 3.15Å; R307-T311 PolarHBondContact O-N 3.4Å; R307-T311 PolarHBondContact O-OG1 3.34Å; R307-H392 PolarHBondContact NE-CE1 3.28Å; R307-H392 PolarHBondContact NE-ND1 2.97Å; R307-H392 PolarHBondContact NH2-CE1 3.13Å; R307-H392 PolarHBondContact NH2-ND1 3.06Å
308	T	98.8	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-75.9	-37.2	176.2	56.8	0	0	0	0	111	H258 S303 L305 R306 T311 A312 I390	H258-T308 HydrophobicContact CB-CG2 3.87Å; S303-T308 PolarHBondContact N-OG1 2.93Å; S303-T308 PolarHBondContact O-OG1 2.82Å; S303-T308 WeakPolarHBondContact OG-CG2 3.31Å; S303-T308 PolarHBondContact OG-OG1 2.69Å; L305-T308 PolarHBondContact O-N 2.78Å; L305-T308 PolarHBondContact O-OG1 3.45Å; R306-T308 PolarHBondContact O-N 3.46Å; T308-T311 PolarHBondContact O-N 2.82Å; T308-A312 PolarHBondContact O-N 3.24Å; T308-A312 VanDerWaalsContact O-N 3.09Å; T308-I390 HydrophobicContact CG2-CG2 4.25Å; T308-I390 WeakPolarHBondContact CG2-O 3.46Å
309	I	98.8	Very high	97.1	Very high	22 Å²	22	42.8 Å²	42.8	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-52.5	178.7	-65.4	169.4	0	0	0	110.1	L305 R306 T311 A312 E313 Y319	L305-I309 PolarHBondContact O-N 3.22Å; R306-I309 PolarHBondContact O-N 3.25Å; I309-T311 PolarHBondContact O-N 3.46Å; I309-A312 PolarHBondContact O-N 3.05Å; I309-E313 HydrophobicContact CG2-CG 4.18Å; I309-E313 WeakPolarHBondContact O-CG 3.44Å; I309-E313 PolarHBondContact O-N 3.38Å; I309-Y319 HydrophobicContact CG2-CE2 4.35Å; I309-Y319 WeakPolarHBondContact CG2-OH 3.3Å
310	Q	98.6	Very high	97.2	Very high	40 Å²	40	43.5 Å²	43.5	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-31.5	177	-72	179.3	-29.8	0	0	112.8	L275 R306	L275-Q310 HydrophobicContact CD1-CB 3.62Å; L275-Q310 HydrophobicContact CG-CB 3.89Å; R306-Q310 WeakPolarHBondContact O-CB 3.49Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 2.96Å
311	T	98.6	Very high	97.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-39.8	174.9	-55	0	0	0	0	110.9	G259 F282 A283 L286 R307 T308 I309 I390	G259-T311 PolarHBondContact N-OG1 3.19Å; F282-T311 HydrophobicContact CD1-CG2 4.28Å; F282-T311 HydrophobicContact CE1-CG2 3.97Å; A283-T311 HydrophobicContact CB-CG2 4.17Å; L286-T311 HydrophobicContact CD2-CG2 4Å; R307-T311 PolarHBondContact O-N 3.4Å; R307-T311 PolarHBondContact O-OG1 3.34Å; T308-T311 PolarHBondContact O-N 2.82Å; I309-T311 PolarHBondContact O-N 3.46Å; T311-I390 HydrophobicContact CG2-CD1 4.27Å; T311-I390 HydrophobicContact CG2-CG2 3.98Å
312	A	98.1	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76.2	-34.8	-180	0	0	0	0	0	113.4	V300 T302 T308 I309 E314 L315 Y319 I390	V300-A312 HydrophobicContact CG1-CB 4.35Å; T302-A312 HydrophobicContact CG2-CB 3.41Å; T302-A312 VanDerWaalsContact CG2-CB 3.41Å; T308-A312 PolarHBondContact O-N 3.24Å; T308-A312 VanDerWaalsContact O-N 3.09Å; I309-A312 PolarHBondContact O-N 3.05Å; A312-E314 PolarHBondContact O-N 3.36Å; A312-L315 VanDerWaalsContact O-CB 3.3Å; A312-L315 WeakPolarHBondContact O-CB 3.46Å; A312-L315 PolarHBondContact O-N 3.28Å; A312-Y319 HydrophobicContact CB-CD1 3.93Å; A312-Y319 HydrophobicContact CB-CD2 4.18Å; A312-Y319 HydrophobicContact CB-CE1 4.34Å; A312-Y319 HydrophobicContact CB-CG 3.86Å; A312-I390 HydrophobicContact CB-CD1 3.89Å
313	E	97.4	Very high	97.2	Very high	109 Å²	109	56.9 Å²	56.9	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-56.7	-36.5	177.1	-76	174.3	162.6	0	0	111.8	I309 L315 S316 Y319	I309-E313 HydrophobicContact CG2-CG 4.18Å; I309-E313 WeakPolarHBondContact O-CG 3.44Å; I309-E313 PolarHBondContact O-N 3.38Å; E313-L315 PolarHBondContact O-N 3.44Å; E313-S316 PolarHBondContact O-N 3.37Å; E313-Y319 HydrophobicContact CG-CE1 4.14Å
314	E	95.6	Very high	97.2	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.9	178.6	-168.7	52.1	-134.3	0	0	113.4	A283 H284 R287 A312 S316	A283-E314 HydrophobicContact CB-CB 3.67Å; A283-E314 HydrophobicContact CB-CG 3.92Å; H284-E314 IonicContact CE1-OE1 3.8Å; H284-E314 PolarHBondContact CE1-OE1 2.78Å; H284-E314 IonicContact CE1-OE2 2.78Å; H284-E314 PolarHBondContact CE1-OE2 3.35Å; H284-E314 VanDerWaalsContact CE1-OE2 3.26Å; H284-E314 IonicContact CG-OE1 3.3Å; H284-E314 WeakPolarHBondContact ND1-CG 3.4Å; H284-E314 IonicContact ND1-OE1 3.99Å; H284-E314 PolarHBondContact ND1-OE1 2.92Å; H284-E314 IonicContact ND1-OE2 3.9Å; R287-E314 IonicContact CZ-OE1 2.77Å; R287-E314 IonicContact NH1-OE1 3.32Å; R287-E314 PolarHBondContact NH1-OE1 3.39Å; A312-E314 PolarHBondContact O-N 3.36Å; E314-S316 PolarHBondContact O-N 2.78Å
315	L	93.7	Very high	97.2	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.3	-179.9	-51.6	-177.3	0	0	0	112.5	L286 R287 I290 V300 A312 E313 V317 L388 I390	L286-L315 HydrophobicContact CB-CD2 4.02Å; L286-L315 HydrophobicContact CD2-CD1 4.34Å; L286-L315 HydrophobicContact CD2-CD2 4.04Å; L286-L315 HydrophobicContact CG-CD2 3.79Å; R287-L315 HydrophobicContact CB-CD2 3.98Å; I290-L315 HydrophobicContact CD1-CD1 3.73Å; I290-L315 HydrophobicContact CD1-CD2 3.95Å; I290-L315 HydrophobicContact CD1-CG 4.3Å; V300-L315 HydrophobicContact CG1-CD1 4.28Å; A312-L315 VanDerWaalsContact O-CB 3.3Å; A312-L315 WeakPolarHBondContact O-CB 3.46Å; A312-L315 PolarHBondContact O-N 3.28Å; E313-L315 PolarHBondContact O-N 3.44Å; L315-V317 HydrophobicContact CB-CG2 3.85Å; L315-V317 PolarHBondContact O-N 3.01Å; L315-V317 VanDerWaalsContact O-N 3.16Å; L315-L388 HydrophobicContact CD1-CD2 3.96Å; L315-I390 HydrophobicContact CD1-CD1 3.87Å
316	S	90.3	Very high	97.2	Very high	104 Å²	104	55.1 Å²	55.1	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	28.2	-178.8	-56.2	0	0	0	0	114.3	E313 E314	E313-S316 PolarHBondContact O-N 3.37Å; E314-S316 PolarHBondContact O-N 2.78Å
317	V	91.3	Very high	97.2	Very high	55 Å²	55	51.4 Å²	51.4	33%	0.333	26%	0.262	S	S	.	.	S	Bend	trans	-119.3	153.9	175.1	-62.6	0	0	0	0	110.8	V300 L315 Y319	V300-V317 HydrophobicContact CB-CG2 4.43Å; V300-V317 HydrophobicContact CG2-CG2 3.6Å; L315-V317 HydrophobicContact CB-CG2 3.85Å; L315-V317 PolarHBondContact O-N 3.01Å; L315-V317 VanDerWaalsContact O-N 3.16Å; V317-Y319 PolarHBondContact O-N 3.45Å
318	P	95.3	Very high	97.2	Very high	123 Å²	123	51.9 Å²	51.9	80%	0.799	26%	0.264	S	S	*	.			trans	-58.1	136.6	172.7	-22.3	33.4	0	0	0	111.4
319	Y	97.6	Very high	97.2	Very high	65 Å²	65	55.2 Å²	55.2	26%	0.255	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	176.6	65.5	-89.8	0	0	0	111.3	V300 T302 I309 A312 E313 V317 Q321	V300-Y319 CarbonylContact O-C 3.55Å; V300-Y319 WeakPolarHBondContact O-CA 3.38Å; V300-Y319 WeakPolarHBondContact O-CB 3.43Å; T302-Y319 HydrophobicContact CG2-CD2 3.78Å; T302-Y319 HydrophobicContact CG2-CE2 4.45Å; T302-Y319 HydrophobicContact CG2-CG 4.3Å; I309-Y319 HydrophobicContact CG2-CE2 4.35Å; I309-Y319 WeakPolarHBondContact CG2-OH 3.3Å; A312-Y319 HydrophobicContact CB-CD1 3.93Å; A312-Y319 HydrophobicContact CB-CD2 4.18Å; A312-Y319 HydrophobicContact CB-CE1 4.34Å; A312-Y319 HydrophobicContact CB-CG 3.86Å; E313-Y319 HydrophobicContact CG-CE1 4.14Å; V317-Y319 PolarHBondContact O-N 3.45Å; Y319-Q321 HydrophobicContact CD2-CG 4.05Å; Y319-Q321 HydrophobicContact CE2-CG 3.73Å
320	E	98.3	Very high	97.1	Very high	96 Å²	96	54.3 Å²	54.3	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.3	177.8	-62.5	174.2	-162.3	0	0	110.6	V300 W301 T302 W322	V300-E320 PolarHBondContact O-N 2.94Å; W301-E320 WeakPolarHBondContact CA-O 3.47Å; T302-E320 PolarHBondContact N-O 3.48Å; E320-W322 PolarHBondContact OE2-NE1 3.32Å
321	Q	98.6	Very high	97.1	Very high	90 Å²	90	52.4 Å²	52.4	42%	0.421	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.8	179.5	-55.3	-175.2	21.5	0	0	111.2	Q304 Y319	Q304-Q321 HydrophobicContact CG-CB 4.15Å; Y319-Q321 HydrophobicContact CD2-CG 4.05Å; Y319-Q321 HydrophobicContact CE2-CG 3.73Å
322	W	98.6	Very high	97	Very high	51 Å²	51	55.8 Å²	55.8	19%	0.193	29%	0.29	C	S	.	.			trans	-113.6	113.1	-177.3	-69	55.4	0	0	0	109.6	W301 T302 E320 I324 L325 V377 E380	W301-W322 AromaticContact CD1-NE1 3.91Å; W301-W322 HydrophobicContact CZ2-CZ2 4.42Å; T302-W322 PolarHBondContact O-N 3.05Å; E320-W322 PolarHBondContact OE2-NE1 3.32Å; W322-I324 HydrophobicContact CB-CG1 4.36Å; W322-I324 HydrophobicContact CE3-CD1 3.83Å; W322-I324 HydrophobicContact CE3-CG1 3.99Å; W322-I324 HydrophobicContact CZ3-CD1 4.2Å; W322-I324 PolarHBondContact O-N 3.04Å; W322-L325 HydrophobicContact CB-CB 4.24Å; W322-L325 HydrophobicContact CB-CD1 3.93Å; W322-L325 HydrophobicContact CB-CG 3.98Å; W322-L325 HydrophobicContact CG-CD1 4.38Å; W322-L325 WeakPolarHBondContact O-CB 3.35Å; W322-L325 PolarHBondContact O-N 2.83Å; W322-V377 HydrophobicContact CE3-CG2 4.11Å; W322-V377 HydrophobicContact CZ3-CG2 4.42Å; W322-E380 HydrophobicContact CH2-CB 3.93Å; W322-E380 HydrophobicContact CH2-CG 3.79Å; W322-E380 HydrophobicContact CZ2-CG 4.23Å
323	K	98.4	Very high	97	Very high	143 Å²	143	55.9 Å²	55.9	62%	0.622	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.4	-35.8	177	-171.7	173.6	178.7	-179.9	0	112.4	Q304 L325 N326	Q304-K323 HydrophobicContact CG-CB 4.32Å; K323-L325 PolarHBondContact O-N 2.91Å; K323-N326 VanDerWaalsContact O-CB 3.28Å; K323-N326 WeakPolarHBondContact O-CB 3.35Å; K323-N326 PolarHBondContact O-N 3.06Å; K323-N326 PolarHBondContact O-OD1 3.01Å
324	I	98.3	Very high	96.9	Very high	47 Å²	47	53 Å²	53	24%	0.241	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-70.2	-6.2	178.7	63.9	175.5	0	0	0	113.6	W322 R373 L374 P376 V377	W322-I324 HydrophobicContact CB-CG1 4.36Å; W322-I324 HydrophobicContact CE3-CD1 3.83Å; W322-I324 HydrophobicContact CE3-CG1 3.99Å; W322-I324 HydrophobicContact CZ3-CD1 4.2Å; W322-I324 PolarHBondContact O-N 3.04Å; I324-R373 VanDerWaalsContact C-NH1 3.3Å; I324-R373 HydrophobicContact CB-CG 3.84Å; I324-R373 HydrophobicContact CG2-CG 4.01Å; I324-R373 PolarHBondContact O-NH1 3.38Å; I324-L374 WeakPolarHBondContact O-CD2 3.34Å; I324-P376 HydrophobicContact CD1-CB 3.9Å; I324-P376 HydrophobicContact CD1-CG 4.18Å; I324-V377 HydrophobicContact CD1-CG2 3.47Å; I324-V377 VanDerWaalsContact CD1-CG2 3.47Å; I324-V377 HydrophobicContact CG1-CG2 3.67Å
325	L	98.8	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-92.2	1.5	168.3	-75.1	178.2	0	0	0	113.3	W301 S303 W322 K323 L374 V377 V389 H392 V395 L399	W301-L325 HydrophobicContact CB-CD1 4.04Å; S303-L325 VanDerWaalsContact CB-C 3.47Å; S303-L325 VanDerWaalsContact CB-O 3.25Å; S303-L325 WeakPolarHBondContact CB-O 3.49Å; W322-L325 HydrophobicContact CB-CB 4.24Å; W322-L325 HydrophobicContact CB-CD1 3.93Å; W322-L325 HydrophobicContact CB-CG 3.98Å; W322-L325 HydrophobicContact CG-CD1 4.38Å; W322-L325 WeakPolarHBondContact O-CB 3.35Å; W322-L325 PolarHBondContact O-N 2.83Å; K323-L325 PolarHBondContact O-N 2.91Å; L325-L374 HydrophobicContact CD2-CD2 3.93Å; L325-V377 HydrophobicContact CD2-CG1 4.01Å; L325-V377 HydrophobicContact CD2-CG2 4.06Å; L325-V377 HydrophobicContact CG-CG2 4.24Å; L325-V389 HydrophobicContact CD1-CG1 3.79Å; L325-V389 HydrophobicContact CD2-CG1 4.02Å; L325-H392 PolarHBondContact O-CD2 2.9Å; L325-V395 HydrophobicContact CD2-CG1 3.8Å; L325-L399 HydrophobicContact CD2-CD1 4.42Å
326	N	98.8	Very high	97.2	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	29%	0.293	C	S	.	.	S	Bend	trans	-59.4	150.7	174.2	-73.3	6.4	0	0	0	111.2	S303 Q304 L305 K323 R373 V395	S303-N326 WeakPolarHBondContact CB-OD1 3.38Å; Q304-N326 PolarHBondContact N-OD1 3.43Å; L305-N326 HydrophobicContact CD1-CB 4.31Å; L305-N326 HydrophobicContact CG-CB 4.41Å; K323-N326 VanDerWaalsContact O-CB 3.28Å; K323-N326 WeakPolarHBondContact O-CB 3.35Å; K323-N326 PolarHBondContact O-N 3.06Å; K323-N326 PolarHBondContact O-OD1 3.01Å; N326-R373 PolarHBondContact O-NH1 3.48Å; N326-R373 PolarHBondContact O-NH2 3.47Å; N326-V395 WeakPolarHBondContact O-CG2 3.41Å
327	E	98.6	Very high	97.6	Very high	35 Å²	35	52.7 Å²	52.7	16%	0.164	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57	159.7	177.4	-172.2	55.5	-57.7	0	0	111.4	L305 D329 R373 H392 Q393 A394 V395	L305-E327 HydrophobicContact CD1-CB 4.33Å; E327-D329 PolarHBondContact O-N 3.36Å; E327-R373 PolarHBondContact O-NH2 3.38Å; E327-H392 HydrophobicContact CB-CB 3.72Å; E327-H392 HydrophobicContact CG-CB 3.89Å; E327-H392 PolarHBondContact N-CD2 3.45Å; E327-H392 VanDerWaalsContact N-CD2 3.3Å; E327-H392 WeakPolarHBondContact OE1-CB 3.35Å; E327-H392 WeakPolarHBondContact OE2-CB 3.31Å; E327-Q393 PolarHBondContact OE2-N 3.18Å; E327-A394 WeakPolarHBondContact OE1-CB 3.36Å; E327-A394 PolarHBondContact OE1-N 3.25Å; E327-A394 VanDerWaalsContact OE1-N 3.07Å; E327-A394 PolarHBondContact OE2-N 3.28Å; E327-V395 PolarHBondContact OE1-N 3.34Å
328	I	98.4	Very high	97.8	Very high	18 Å²	18	53 Å²	53	9%	0.092	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53.3	129.3	172.1	-167.3	170.9	0	0	0	110.7	A330 E365 Y367 L370 A394	I328-A330 PolarHBondContact O-N 2.84Å; I328-E365 HydrophobicContact CG1-CB 3.78Å; I328-Y367 HydrophobicContact CD1-CD2 4.22Å; I328-Y367 HydrophobicContact CD1-CE2 4.36Å; I328-L370 HydrophobicContact CB-CD2 4.26Å; I328-A394 HydrophobicContact CB-CB 3.83Å; I328-A394 HydrophobicContact CG2-CB 3.58Å
329	D	98.4	Very high	97.8	Very high	70 Å²	70	53 Å²	53	37%	0.374	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-74.1	116.1	177	-168.6	-23	0	0	0	110.1	E327 G331 G364 E365	E327-D329 PolarHBondContact O-N 3.36Å; D329-G331 VanDerWaalsContact C-N 3.28Å; D329-G331 WeakPolarHBondContact OD1-CA 3.45Å; D329-G331 PolarHBondContact OD1-N 3.19Å; D329-G364 CarbonylContact O-C 3.59Å; D329-G364 WeakPolarHBondContact O-CA 3.33Å; D329-E365 HydrophobicContact CB-CB 4.36Å; D329-E365 HydrophobicContact CB-CG 3.98Å; D329-E365 PolarHBondContact N-OE2 3.11Å; D329-E365 PolarHBondContact O-N 2.79Å
330	A	97.4	Very high	97.8	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	26%	0.257	C	S	.	.			trans	-85	2.4	177.6	0	0	0	0	0	113.3	I269 I328 V332 C333 E334 Y361	I269-A330 HydrophobicContact CD1-CB 3.68Å; I269-A330 HydrophobicContact CG1-CB 4.25Å; I328-A330 PolarHBondContact O-N 2.84Å; A330-V332 PolarHBondContact O-N 3.36Å; A330-C333 HydrophobicContact CB-CB 4.16Å; A330-C333 WeakPolarHBondContact O-CB 3.49Å; A330-C333 PolarHBondContact O-N 2.79Å; A330-E334 HydrophobicContact CB-CG 4.23Å; A330-E334 VanDerWaalsContact CB-OE1 3.3Å; A330-E334 WeakPolarHBondContact CB-OE1 3.43Å; A330-E334 PolarHBondContact N-OE1 2.77Å; A330-Y361 HydrophobicContact CB-CD1 4.37Å; A330-Y361 HydrophobicContact CB-CD2 4.33Å; A330-Y361 HydrophobicContact CB-CE1 4.38Å; A330-Y361 HydrophobicContact CB-CE2 4.34Å; A330-Y361 HydrophobicContact CB-CG 4.33Å; A330-Y361 WeakPolarHBondContact O-CB 3.47Å
331	G	97.4	Very high	97.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	61.5	-114.9	173.4	0	0	0	0	0	113.2	D329 C333 E334 P362 G363 R478	D329-G331 VanDerWaalsContact C-N 3.28Å; D329-G331 WeakPolarHBondContact OD1-CA 3.45Å; D329-G331 PolarHBondContact OD1-N 3.19Å; G331-C333 PolarHBondContact O-N 3.2Å; G331-E334 WeakPolarHBondContact O-CG 3.37Å; G331-P362 WeakPolarHBondContact CA-O 3.32Å; G331-G363 WeakPolarHBondContact CA-O 3.07Å; G331-R478 PolarHBondContact O-NH2 3.05Å
332	V	97.1	Very high	97.6	Very high	71 Å²	71	50.1 Å²	50.1	43%	0.43	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.5	-15.6	174.7	-60.3	0	0	0	0	113.5	A330 F345 P362	A330-V332 PolarHBondContact O-N 3.36Å; V332-F345 HydrophobicContact CG2-CE2 4.35Å; V332-F345 HydrophobicContact CG2-CZ 4.25Å; V332-P362 HydrophobicContact CG2-CB 3.87Å; V332-P362 HydrophobicContact CG2-CG 4.16Å; V332-P362 PolarHBondContact N-O 3.32Å
333	C	97.4	Very high	97.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-95.4	6.3	-179.2	-62.7	0	0	0	0	113.6	I269 A330 G331 M336 I341 Y361	I269-C333 HydrophobicContact CD1-CB 4.4Å; I269-C333 WeakPolarHBondContact CG1-O 3.46Å; A330-C333 HydrophobicContact CB-CB 4.16Å; A330-C333 WeakPolarHBondContact O-CB 3.49Å; A330-C333 PolarHBondContact O-N 2.79Å; G331-C333 PolarHBondContact O-N 3.2Å; C333-M336 HydrophobicContact CB-SD 4.43Å; C333-M336 PolarHBondContact O-N 3.01Å; C333-I341 HydrophobicContact CB-CD1 3.86Å; C333-I341 HydrophobicContact CB-CG1 4.06Å; C333-Y361 HydrophobicContact CB-CD1 3.93Å; C333-Y361 HydrophobicContact CB-CE1 3.91Å
334	E	97.3	Very high	97.5	Very high	48 Å²	48	51 Å²	51	22%	0.224	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	141.2	173.5	-77	-70.7	129.4	0	0	111.4	G270 G271 A330 G331 M336	G270-E334 VanDerWaalsContact CA-OE2 3.25Å; G270-E334 WeakPolarHBondContact CA-OE2 3.18Å; G271-E334 PolarHBondContact N-OE2 3.24Å; A330-E334 HydrophobicContact CB-CG 4.23Å; A330-E334 VanDerWaalsContact CB-OE1 3.3Å; A330-E334 WeakPolarHBondContact CB-OE1 3.43Å; A330-E334 PolarHBondContact N-OE1 2.77Å; G331-E334 WeakPolarHBondContact O-CG 3.37Å; E334-M336 PolarHBondContact O-N 3.16Å; E334-M336 VanDerWaalsContact O-N 3.08Å
335	E	97.3	Very high	97.4	Very high	102 Å²	102	52 Å²	52	48%	0.477	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	9.5	179	-50	-173.3	166.9	0	0	115.6	R268 I269	R268-E335 VanDerWaalsContact CD-O 3.23Å; R268-E335 WeakPolarHBondContact CD-O 3.45Å; R268-E335 WeakPolarHBondContact CG-O 3.09Å; R268-E335 PolarHBondContact NH1-O 2.9Å; I269-E335 VanDerWaalsContact O-CA 3.25Å; I269-E335 WeakPolarHBondContact O-CA 3.15Å; I269-E335 PolarHBondContact O-N 2.66Å
336	M	98	Very high	97.2	Very high	31 Å²	31	55.6 Å²	55.6	15%	0.153	28%	0.281	C	S	.	.			trans	-90.8	153.3	175.5	-60.6	-177.7	75.4	0	0	111.8	R268 I269 C333 E334 M340 I341 T344 F345	R268-M336 WeakPolarHBondContact CA-O 3.45Å; I269-M336 PolarHBondContact N-O 2.69Å; C333-M336 HydrophobicContact CB-SD 4.43Å; C333-M336 PolarHBondContact O-N 3.01Å; E334-M336 PolarHBondContact O-N 3.16Å; E334-M336 VanDerWaalsContact O-N 3.08Å; M336-M340 HydrophobicContact CB-CB 4.29Å; M336-M340 HydrophobicContact CE-CB 3.75Å; M336-I341 HydrophobicContact CB-CD1 4.2Å; M336-I341 HydrophobicContact CB-CG1 3.75Å; M336-I341 HydrophobicContact CE-CG1 4.36Å; M336-I341 HydrophobicContact SD-CG1 4.17Å; M336-T344 HydrophobicContact CE-CG2 4.4Å; M336-F345 HydrophobicContact CE-CE2 4.27Å; M336-F345 HydrophobicContact SD-CE2 4.1Å
337	T	98	Very high	97	Very high	26 Å²	26	61.1 Å²	61.1	16%	0.16	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-80.2	158.4	164.4	71.8	0	0	0	0	110.3	G267 R268 Q339 M340 I341	G267-T337 WeakPolarHBondContact O-CA 3.42Å; R268-T337 HydrophobicContact CG-CG2 4.02Å; T337-Q339 PolarHBondContact O-N 2.85Å; T337-M340 HydrophobicContact CG2-SD 4.22Å; T337-M340 PolarHBondContact O-N 3.18Å; T337-M340 VanDerWaalsContact O-N 3.13Å; T337-M340 WeakPolarHBondContact OG1-CG 3.28Å; T337-M340 PolarHBondContact OG1-N 3.06Å; T337-M340 VanDerWaalsContact OG1-N 3.15Å; T337-I341 WeakPolarHBondContact O-CG1 3.25Å; T337-I341 PolarHBondContact O-N 2.95Å
338	Y	95.3	Very high	96.8	Very high	61 Å²	61	60.5 Å²	60.5	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-32.6	174.5	-77.5	-68.9	0	0	0	112.9	I269 I341 Q342 F349	I269-Y338 HydrophobicContact CG2-CD2 4.28Å; I269-Y338 HydrophobicContact CG2-CE1 4.35Å; I269-Y338 HydrophobicContact CG2-CE2 3.71Å; Y338-I341 HydrophobicContact CD1-CD1 4.45Å; Y338-I341 PolarHBondContact O-N 2.68Å; Y338-Q342 WeakPolarHBondContact O-CB 3.35Å; Y338-Q342 PolarHBondContact O-N 3.33Å; Y338-F349 HydrophobicContact CD1-CE2 4.24Å
339	Q	96.6	Very high	96.6	Very high	124 Å²	124	60.8 Å²	60.8	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-47.9	174.4	-178.8	179.3	-2.1	0	0	111.1	T337 I341 Q342 E343	T337-Q339 PolarHBondContact O-N 2.85Å; Q339-I341 VanDerWaalsContact C-N 3.28Å; Q339-I341 PolarHBondContact O-N 3.04Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.14Å; Q339-E343 VanDerWaalsContact CG-OE1 3.27Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.3Å; Q339-E343 PolarHBondContact NE2-OE1 2.85Å; Q339-E343 WeakPolarHBondContact O-CG 3.29Å; Q339-E343 PolarHBondContact O-N 3.28Å
340	M	97.1	Very high	96.4	Very high	76 Å²	76	59.4 Å²	59.4	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-39.4	176.7	-70.5	170.7	170.6	0	0	111.7	M336 T337 E343 T344	M336-M340 HydrophobicContact CB-CB 4.29Å; M336-M340 HydrophobicContact CE-CB 3.75Å; T337-M340 HydrophobicContact CG2-SD 4.22Å; T337-M340 PolarHBondContact O-N 3.18Å; T337-M340 VanDerWaalsContact O-N 3.13Å; T337-M340 WeakPolarHBondContact OG1-CG 3.28Å; T337-M340 PolarHBondContact OG1-N 3.06Å; T337-M340 VanDerWaalsContact OG1-N 3.15Å; M340-E343 PolarHBondContact O-N 3.18Å; M340-T344 WeakPolarHBondContact O-CB 3.44Å; M340-T344 PolarHBondContact O-N 2.95Å; M340-T344 PolarHBondContact O-OG1 3.08Å
341	I	97.1	Very high	96.3	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-43.5	176.5	-63.2	166.6	0	0	0	110.5	I269 C333 M336 T337 Y338 Q339 E343 F345 F349	I269-I341 HydrophobicContact CD1-CD1 3.51Å; I269-I341 HydrophobicContact CG1-CD1 4.23Å; C333-I341 HydrophobicContact CB-CD1 3.86Å; C333-I341 HydrophobicContact CB-CG1 4.06Å; M336-I341 HydrophobicContact CB-CD1 4.2Å; M336-I341 HydrophobicContact CB-CG1 3.75Å; M336-I341 HydrophobicContact CE-CG1 4.36Å; M336-I341 HydrophobicContact SD-CG1 4.17Å; T337-I341 WeakPolarHBondContact O-CG1 3.25Å; T337-I341 PolarHBondContact O-N 2.95Å; Y338-I341 HydrophobicContact CD1-CD1 4.45Å; Y338-I341 PolarHBondContact O-N 2.68Å; Q339-I341 VanDerWaalsContact C-N 3.28Å; Q339-I341 PolarHBondContact O-N 3.04Å; I341-E343 VanDerWaalsContact C-N 3.32Å; I341-E343 PolarHBondContact O-N 3.35Å; I341-F345 CarbonylContact O-C 3.42Å; I341-F345 VanDerWaalsContact O-C 3.28Å; I341-F345 WeakPolarHBondContact O-CA 3.25Å; I341-F345 PolarHBondContact O-N 3.15Å; I341-F349 HydrophobicContact CB-CD2 4.48Å; I341-F349 HydrophobicContact CG2-CB 4.42Å; I341-F349 HydrophobicContact CG2-CD2 4.12Å
342	Q	95.9	Very high	96.2	Very high	108 Å²	108	63.1 Å²	63.1	51%	0.505	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-38.1	178.8	-173.3	176.5	1	0	0	112.3	Y338 Q339 P346 F349	Y338-Q342 WeakPolarHBondContact O-CB 3.35Å; Y338-Q342 PolarHBondContact O-N 3.33Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.14Å; Q342-P346 VanDerWaalsContact O-CA 3.3Å; Q342-P346 WeakPolarHBondContact O-CA 3.47Å; Q342-P346 WeakPolarHBondContact O-CB 3.43Å; Q342-F349 HydrophobicContact CB-CD1 4.27Å; Q342-F349 HydrophobicContact CB-CD2 3.83Å; Q342-F349 HydrophobicContact CB-CE1 4.41Å; Q342-F349 HydrophobicContact CB-CE2 3.98Å; Q342-F349 HydrophobicContact CB-CG 3.97Å; Q342-F349 HydrophobicContact CB-CZ 4.26Å; Q342-F349 HydrophobicContact CG-CD1 3.99Å; Q342-F349 HydrophobicContact CG-CD2 4.44Å; Q342-F349 HydrophobicContact CG-CE1 4.13Å; Q342-F349 HydrophobicContact CG-CG 4.14Å; Q342-F349 HydrophobicContact CG-CZ 4.4Å
343	E	97.3	Very high	96	Very high	131 Å²	131	61.2 Å²	61.2	61%	0.612	31%	0.307	S	S	*	.	H	α-helix	trans	-75.6	-40.4	178.7	-69.5	169.4	-173.1	0	0	112.2	Q339 M340 I341	Q339-E343 VanDerWaalsContact CG-OE1 3.27Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.3Å; Q339-E343 PolarHBondContact NE2-OE1 2.85Å; Q339-E343 WeakPolarHBondContact O-CG 3.29Å; Q339-E343 PolarHBondContact O-N 3.28Å; M340-E343 PolarHBondContact O-N 3.18Å; I341-E343 VanDerWaalsContact C-N 3.32Å; I341-E343 PolarHBondContact O-N 3.35Å
344	T	96.9	Very high	95.7	Very high	82 Å²	82	65 Å²	65	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-84.7	-38.2	-175	-49	0	0	0	0	112.6	M336 M340	M336-T344 HydrophobicContact CE-CG2 4.4Å; M340-T344 WeakPolarHBondContact O-CB 3.44Å; M340-T344 PolarHBondContact O-N 2.95Å; M340-T344 PolarHBondContact O-OG1 3.08Å
345	F	95.8	Very high	95.5	Very high	67 Å²	67	64.8 Å²	64.8	29%	0.294	33%	0.325	S	S	.	.			trans	-131.8	63.5	-176.3	-53.1	-71.9	0	0	0	111.1	V332 M336 I341 E347 E348 F349	V332-F345 HydrophobicContact CG2-CE2 4.35Å; V332-F345 HydrophobicContact CG2-CZ 4.25Å; M336-F345 HydrophobicContact CE-CE2 4.27Å; M336-F345 HydrophobicContact SD-CE2 4.1Å; I341-F345 CarbonylContact O-C 3.42Å; I341-F345 VanDerWaalsContact O-C 3.28Å; I341-F345 WeakPolarHBondContact O-CA 3.25Å; I341-F345 PolarHBondContact O-N 3.15Å; F345-E347 VanDerWaalsContact C-N 3.3Å; F345-E347 PolarHBondContact O-N 2.82Å; F345-E348 HydrophobicContact CB-CB 3.87Å; F345-E348 HydrophobicContact CB-CG 4.1Å; F345-E348 PolarHBondContact O-N 2.89Å; F345-F349 PolarHBondContact O-N 2.79Å
346	P	96	Very high	95.5	Very high	76 Å²	76	60.3 Å²	60.3	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-60.2	-37.2	-173.9	22.3	-33.6	0	0	0	113.3	Q342 A350	Q342-P346 VanDerWaalsContact O-CA 3.3Å; Q342-P346 WeakPolarHBondContact O-CA 3.47Å; Q342-P346 WeakPolarHBondContact O-CB 3.43Å; P346-A350 WeakPolarHBondContact O-CB 3.28Å; P346-A350 PolarHBondContact O-N 2.77Å
347	E	94.1	Very high	95.5	Very high	147 Å²	147	59.7 Å²	59.7	69%	0.687	30%	0.3	S	S	*	.	H	α-helix	trans	-65.9	-46	177.2	-64.3	-175.8	177.3	0	0	111.8	F345 F349 A350 L351	F345-E347 VanDerWaalsContact C-N 3.3Å; F345-E347 PolarHBondContact O-N 2.82Å; E347-F349 VanDerWaalsContact C-N 3.35Å; E347-F349 PolarHBondContact O-N 2.85Å; E347-A350 PolarHBondContact O-N 2.9Å; E347-L351 WeakPolarHBondContact O-CB 3.35Å; E347-L351 VanDerWaalsContact O-CG 3.3Å; E347-L351 WeakPolarHBondContact O-CG 3.38Å; E347-L351 PolarHBondContact O-N 2.74Å
348	E	94.4	Very high	95.4	Very high	23 Å²	23	61 Å²	61	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-40.5	178.5	-66.5	-68.3	161.7	0	0	111.3	F345 A350 L351 R352 Y359 P362 R463	F345-E348 HydrophobicContact CB-CB 3.87Å; F345-E348 HydrophobicContact CB-CG 4.1Å; F345-E348 PolarHBondContact O-N 2.89Å; E348-A350 PolarHBondContact O-N 3.39Å; E348-L351 PolarHBondContact O-N 2.98Å; E348-R352 WeakPolarHBondContact O-CB 3.44Å; E348-R352 PolarHBondContact O-N 3.41Å; E348-Y359 WeakPolarHBondContact CB-OH 3.3Å; E348-Y359 WeakPolarHBondContact O-CE2 3.22Å; E348-Y359 WeakPolarHBondContact OE2-CE2 3.07Å; E348-Y359 VanDerWaalsContact OE2-CZ 3.32Å; E348-Y359 PolarHBondContact OE2-OH 2.88Å; E348-P362 HydrophobicContact CG-CG 4.32Å; E348-R463 IonicContact OE1-CZ 3.37Å; E348-R463 IonicContact OE1-NH1 2.99Å; E348-R463 IonicContact OE1-NH2 3.2Å; E348-R463 PolarHBondContact OE1-NH2 3.3Å
349	F	94.4	Very high	95.5	Very high	24 Å²	24	59.2 Å²	59.2	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-46.2	174.1	-172.9	-87.8	0	0	0	111.6	Y338 I341 Q342 F345 E347 R352 D353 R447	Y338-F349 HydrophobicContact CD1-CE2 4.24Å; I341-F349 HydrophobicContact CB-CD2 4.48Å; I341-F349 HydrophobicContact CG2-CB 4.42Å; I341-F349 HydrophobicContact CG2-CD2 4.12Å; Q342-F349 HydrophobicContact CB-CD1 4.27Å; Q342-F349 HydrophobicContact CB-CD2 3.83Å; Q342-F349 HydrophobicContact CB-CE1 4.41Å; Q342-F349 HydrophobicContact CB-CE2 3.98Å; Q342-F349 HydrophobicContact CB-CG 3.97Å; Q342-F349 HydrophobicContact CB-CZ 4.26Å; Q342-F349 HydrophobicContact CG-CD1 3.99Å; Q342-F349 HydrophobicContact CG-CD2 4.44Å; Q342-F349 HydrophobicContact CG-CE1 4.13Å; Q342-F349 HydrophobicContact CG-CG 4.14Å; Q342-F349 HydrophobicContact CG-CZ 4.4Å; F345-F349 PolarHBondContact O-N 2.79Å; E347-F349 VanDerWaalsContact C-N 3.35Å; E347-F349 PolarHBondContact O-N 2.85Å; F349-R352 PolarHBondContact O-N 2.81Å; F349-D353 PolarHBondContact O-N 3Å; F349-R447 VanDerWaalsContact CZ-NH2 3.26Å
350	A	94.1	Very high	95.5	Very high	41 Å²	41	57.4 Å²	57.4	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-44.9	177.6	0	0	0	0	0	112.2	P346 E347 E348 R352 D353 Q354	P346-A350 WeakPolarHBondContact O-CB 3.28Å; P346-A350 PolarHBondContact O-N 2.77Å; E347-A350 PolarHBondContact O-N 2.9Å; E348-A350 PolarHBondContact O-N 3.39Å; A350-R352 VanDerWaalsContact C-N 3.29Å; A350-R352 PolarHBondContact O-N 3.23Å; A350-D353 PolarHBondContact O-N 3.3Å; A350-D353 VanDerWaalsContact O-N 3.13Å; A350-Q354 VanDerWaalsContact O-CG 3.24Å; A350-Q354 WeakPolarHBondContact O-CG 3.08Å; A350-Q354 PolarHBondContact O-N 2.76Å
351	L	94	Very high	95.5	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-40.6	177.7	-74.1	171.3	0	0	0	111.8	E347 E348 D353 Q354 D355 Y359	E347-L351 WeakPolarHBondContact O-CB 3.35Å; E347-L351 VanDerWaalsContact O-CG 3.3Å; E347-L351 WeakPolarHBondContact O-CG 3.38Å; E347-L351 PolarHBondContact O-N 2.74Å; E348-L351 PolarHBondContact O-N 2.98Å; L351-D353 VanDerWaalsContact C-N 3.32Å; L351-D353 PolarHBondContact O-N 3.2Å; L351-Q354 PolarHBondContact O-N 3.18Å; L351-D355 PolarHBondContact O-N 3.06Å; L351-D355 VanDerWaalsContact O-N 3.13Å; L351-Y359 HydrophobicContact CB-CD2 3.94Å; L351-Y359 HydrophobicContact CB-CE2 4.01Å
352	R	95.8	Very high	95.5	Very high	16 Å²	16	55.3 Å²	55.3	6%	0.06	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-36	175.9	-173.6	172.2	-177.4	-94.4	17.5	113	E348 F349 A350 Q354 K356 Y359 Y361	E348-R352 WeakPolarHBondContact O-CB 3.44Å; E348-R352 PolarHBondContact O-N 3.41Å; F349-R352 PolarHBondContact O-N 2.81Å; A350-R352 VanDerWaalsContact C-N 3.29Å; A350-R352 PolarHBondContact O-N 3.23Å; R352-Q354 VanDerWaalsContact C-N 3.33Å; R352-K356 HydrophobicContact CG-CG 4.29Å; R352-K356 WeakPolarHBondContact O-CA 3.49Å; R352-K356 WeakPolarHBondContact O-CB 3.45Å; R352-K356 PolarHBondContact O-N 2.71Å; R352-K356 VanDerWaalsContact O-N 3.08Å; R352-Y359 HydrophobicContact CB-CD1 3.56Å; R352-Y359 HydrophobicContact CB-CD2 3.88Å; R352-Y359 HydrophobicContact CB-CE1 3.78Å; R352-Y359 HydrophobicContact CB-CE2 4.09Å; R352-Y359 HydrophobicContact CB-CG 3.61Å; R352-Y359 HydrophobicContact CG-CD1 3.47Å; R352-Y359 VanDerWaalsContact CG-CD1 3.47Å; R352-Y359 HydrophobicContact CG-CE1 3.93Å; R352-Y359 HydrophobicContact CG-CG 3.85Å; R352-Y361 WeakPolarHBondContact CD-OH 3.3Å; R352-Y361 PolarHBondContact NE-OH 3.05Å; R352-Y361 PolarHBondContact NH2-OH 2.89Å
353	D	92.7	Very high	95.5	Very high	31 Å²	31	53.7 Å²	53.7	17%	0.166	29%	0.289	C	S	.	.	H	α-helix	trans	-70.8	-31.7	177.4	-86.9	-3.4	0	0	0	112.8	F349 A350 L351 R447 P450	F349-D353 PolarHBondContact O-N 3Å; A350-D353 PolarHBondContact O-N 3.3Å; A350-D353 VanDerWaalsContact O-N 3.13Å; L351-D353 VanDerWaalsContact C-N 3.32Å; L351-D353 PolarHBondContact O-N 3.2Å; D353-R447 IonicContact OD1-CZ 3.7Å; D353-R447 IonicContact OD1-NH1 2.69Å; D353-R447 PolarHBondContact OD1-NH1 2.95Å; D353-R447 IonicContact OD1-NH2 2.92Å; D353-R447 PolarHBondContact OD1-NH2 3.02Å; D353-R447 IonicContact OD2-CZ 3.7Å; D353-R447 IonicContact OD2-NH1 3.65Å; D353-R447 PolarHBondContact OD2-NH1 2.69Å; D353-R447 IonicContact OD2-NH2 3.38Å; D353-R447 PolarHBondContact OD2-NH2 3.41Å; D353-P450 HydrophobicContact CB-CG 3.87Å; D353-P450 VanDerWaalsContact CG-CG 3.47Å; D353-P450 VanDerWaalsContact OD2-CG 3.28Å; D353-P450 WeakPolarHBondContact OD2-CG 3.38Å
354	Q	92.3	Very high	95.5	Very high	81 Å²	81	48.2 Å²	48.2	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-72.5	-43.9	178.1	-66.7	172.6	21.4	0	0	112.6	A350 L351 R352 V454	A350-Q354 VanDerWaalsContact O-CG 3.24Å; A350-Q354 WeakPolarHBondContact O-CG 3.08Å; A350-Q354 PolarHBondContact O-N 2.76Å; L351-Q354 PolarHBondContact O-N 3.18Å; R352-Q354 VanDerWaalsContact C-N 3.33Å; Q354-V454 HydrophobicContact CG-CB 4.36Å; Q354-V454 HydrophobicContact CG-CG1 3.69Å; Q354-V454 HydrophobicContact CG-CG2 3.83Å
355	D	93.3	Very high	95.6	Very high	43 Å²	43	46 Å²	46	23%	0.23	25%	0.251	C	S	.	.			trans	-140.6	66.5	-175.8	-171.8	0.2	0	0	0	111.4	K28 L351 Y357 H358 Y359	K28-D355 IonicContact NZ-OD2 3.46Å; K28-D355 PolarHBondContact NZ-OD2 2.79Å; L351-D355 PolarHBondContact O-N 3.06Å; L351-D355 VanDerWaalsContact O-N 3.13Å; D355-Y357 PolarHBondContact O-N 3.07Å; D355-Y357 VanDerWaalsContact O-N 3.12Å; D355-H358 PolarHBondContact O-N 3.48Å; D355-H358 IonicContact OD1-CE1 2.81Å; D355-H358 IonicContact OD1-CG 3.68Å; D355-H358 PolarHBondContact OD1-N 3.29Å; D355-H358 IonicContact OD1-ND1 2.94Å; D355-H358 PolarHBondContact OD1-ND1 3.49Å; D355-H358 WeakPolarHBondContact OD2-CB 3.41Å; D355-H358 IonicContact OD2-CG 2.81Å; D355-H358 IonicContact OD2-ND1 2.89Å; D355-H358 PolarHBondContact OD2-ND1 3.29Å; D355-Y359 WeakPolarHBondContact O-CB 3.44Å; D355-Y359 PolarHBondContact O-N 3.31Å
356	K	96.8	Very high	95.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.035	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.1	-173	-163.2	175.2	177.4	-170	0	114.5	R352 Y367 P412 Y413	R352-K356 HydrophobicContact CG-CG 4.29Å; R352-K356 WeakPolarHBondContact O-CA 3.49Å; R352-K356 WeakPolarHBondContact O-CB 3.45Å; R352-K356 PolarHBondContact O-N 2.71Å; R352-K356 VanDerWaalsContact O-N 3.08Å; K356-Y367 HydrophobicContact CG-CE2 4.39Å; K356-Y367 WeakPolarHBondContact O-CD2 3.45Å; K356-P412 HydrophobicContact CB-CB 4.14Å; K356-P412 HydrophobicContact CB-CG 4.48Å; K356-P412 HydrophobicContact CD-CB 3.73Å; K356-P412 HydrophobicContact CG-CB 3.81Å; K356-P412 PolarHBondContact NZ-O 3.36Å; K356-Y413 HydrophobicContact CB-CE2 4.25Å; K356-Y413 WeakPolarHBondContact CB-OH 3.18Å; K356-Y413 HydrophobicContact CD-CD1 4.31Å; K356-Y413 HydrophobicContact CD-CE1 3.56Å; K356-Y413 HydrophobicContact CD-CE2 4.12Å; K356-Y413 VanDerWaalsContact CD-CZ 3.47Å; K356-Y413 WeakPolarHBondContact CD-OH 3.46Å
357	Y	96.8	Very high	95.8	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-48.3	-180	-178.7	-100.2	0	0	0	111.8	D355 Y367 Q368 V371 A408 L411 P412	D355-Y357 PolarHBondContact O-N 3.07Å; D355-Y357 VanDerWaalsContact O-N 3.12Å; Y357-Y367 PolarHBondContact O-N 3.27Å; Y357-Q368 HydrophobicContact CD1-CB 4.45Å; Y357-Q368 HydrophobicContact CE1-CB 3.88Å; Y357-Q368 HydrophobicContact CE1-CG 4.18Å; Y357-Q368 PolarHBondContact O-N 3.38Å; Y357-V371 HydrophobicContact CE2-CG2 4.37Å; Y357-A408 WeakPolarHBondContact CB-O 3.38Å; Y357-A408 HydrophobicContact CD1-CB 3.7Å; Y357-A408 HydrophobicContact CD2-CB 3.96Å; Y357-A408 WeakPolarHBondContact CD2-O 3.14Å; Y357-A408 HydrophobicContact CE1-CB 3.71Å; Y357-A408 HydrophobicContact CE2-CB 4.01Å; Y357-A408 HydrophobicContact CG-CB 3.81Å; Y357-L411 HydrophobicContact CD2-CD2 4.42Å; Y357-L411 HydrophobicContact CE2-CD1 4.12Å; Y357-L411 HydrophobicContact CE2-CD2 4.48Å; Y357-P412 HydrophobicContact CD2-CG 4.13Å
358	H	95.9	Very high	96	Very high	53 Å²	53	33 Å²	33	25%	0.245	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-17.2	-177.5	-54.1	95.8	0	0	0	113.5	K28 D355 R360	K28-H358 HydrophobicContact CD-CB 4.2Å; D355-H358 PolarHBondContact O-N 3.48Å; D355-H358 IonicContact OD1-CE1 2.81Å; D355-H358 IonicContact OD1-CG 3.68Å; D355-H358 PolarHBondContact OD1-N 3.29Å; D355-H358 IonicContact OD1-ND1 2.94Å; D355-H358 PolarHBondContact OD1-ND1 3.49Å; D355-H358 WeakPolarHBondContact OD2-CB 3.41Å; D355-H358 IonicContact OD2-CG 2.81Å; D355-H358 IonicContact OD2-ND1 2.89Å; D355-H358 PolarHBondContact OD2-ND1 3.29Å; H358-R360 PolarHBondContact O-N 3.09Å
359	Y	97.2	Very high	96.1	Very high	24 Å²	24	33.1 Å²	33.1	9%	0.094	19%	0.186	C	C	.	.			trans	-58.1	122.3	176.5	174.9	-90.4	0	0	0	110.4	E348 L351 R352 D355 Y361 P362 S366	E348-Y359 WeakPolarHBondContact CB-OH 3.3Å; E348-Y359 WeakPolarHBondContact O-CE2 3.22Å; E348-Y359 WeakPolarHBondContact OE2-CE2 3.07Å; E348-Y359 VanDerWaalsContact OE2-CZ 3.32Å; E348-Y359 PolarHBondContact OE2-OH 2.88Å; L351-Y359 HydrophobicContact CB-CD2 3.94Å; L351-Y359 HydrophobicContact CB-CE2 4.01Å; R352-Y359 HydrophobicContact CB-CD1 3.56Å; R352-Y359 HydrophobicContact CB-CD2 3.88Å; R352-Y359 HydrophobicContact CB-CE1 3.78Å; R352-Y359 HydrophobicContact CB-CE2 4.09Å; R352-Y359 HydrophobicContact CB-CG 3.61Å; R352-Y359 HydrophobicContact CG-CD1 3.47Å; R352-Y359 VanDerWaalsContact CG-CD1 3.47Å; R352-Y359 HydrophobicContact CG-CE1 3.93Å; R352-Y359 HydrophobicContact CG-CG 3.85Å; D355-Y359 WeakPolarHBondContact O-CB 3.44Å; D355-Y359 PolarHBondContact O-N 3.31Å; Y359-Y361 AromaticContact CE1-CD1 3.78Å; Y359-Y361 HydrophobicContact CE1-CD1 3.78Å; Y359-Y361 HydrophobicContact CE1-CD2 4.1Å; Y359-Y361 HydrophobicContact CE1-CE1 4.05Å; Y359-Y361 HydrophobicContact CE1-CE2 4.34Å; Y359-Y361 AromaticContact CE1-CG 3.83Å; Y359-Y361 HydrophobicContact CE1-CG 3.83Å; Y359-P362 WeakPolarHBondContact OH-CD 3.31Å; Y359-S366 VanDerWaalsContact O-CA 3.23Å; Y359-S366 WeakPolarHBondContact O-CA 3.47Å; Y359-S366 WeakPolarHBondContact O-CB 3.37Å
360	R	98	Very high	96.3	Very high	86 Å²	86	32 Å²	32	33%	0.325	18%	0.181	S	C	.	.			trans	-106.5	124	174.5	-175	-179.9	-69.7	156	-1.6	109.1	H358 G364 D369	H358-R360 PolarHBondContact O-N 3.09Å; R360-G364 VanDerWaalsContact CG-O 3.31Å; R360-G364 WeakPolarHBondContact CG-O 3.4Å; R360-D369 IonicContact CZ-OD1 2.66Å; R360-D369 IonicContact CZ-OD2 3.58Å; R360-D369 IonicContact NE-OD1 3.86Å; R360-D369 IonicContact NE-OD2 3.64Å; R360-D369 PolarHBondContact NE-OD2 2.95Å; R360-D369 IonicContact NH2-OD1 3.72Å; R360-D369 PolarHBondContact NH2-OD1 3.02Å; R360-D369 IonicContact NH2-OD2 2.77Å; R360-D369 PolarHBondContact NH2-OD2 3.05Å
361	Y	97.2	Very high	96.4	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.031	17%	0.166	C	C	.	.			trans	-57.9	143	173.5	-79.6	-80.7	0	0	0	111.2	A330 C333 R352 Y359 G363 G364 E365	A330-Y361 HydrophobicContact CB-CD1 4.37Å; A330-Y361 HydrophobicContact CB-CD2 4.33Å; A330-Y361 HydrophobicContact CB-CE1 4.38Å; A330-Y361 HydrophobicContact CB-CE2 4.34Å; A330-Y361 HydrophobicContact CB-CG 4.33Å; A330-Y361 WeakPolarHBondContact O-CB 3.47Å; C333-Y361 HydrophobicContact CB-CD1 3.93Å; C333-Y361 HydrophobicContact CB-CE1 3.91Å; R352-Y361 WeakPolarHBondContact CD-OH 3.3Å; R352-Y361 PolarHBondContact NE-OH 3.05Å; R352-Y361 PolarHBondContact NH2-OH 2.89Å; Y359-Y361 AromaticContact CE1-CD1 3.78Å; Y359-Y361 HydrophobicContact CE1-CD1 3.78Å; Y359-Y361 HydrophobicContact CE1-CD2 4.1Å; Y359-Y361 HydrophobicContact CE1-CE1 4.05Å; Y359-Y361 HydrophobicContact CE1-CE2 4.34Å; Y359-Y361 AromaticContact CE1-CG 3.83Å; Y359-Y361 HydrophobicContact CE1-CG 3.83Å; Y361-G363 PolarHBondContact O-N 3.43Å; Y361-G363 VanDerWaalsContact O-N 3.11Å; Y361-G364 PolarHBondContact O-N 2.86Å; Y361-E365 PolarHBondContact N-O 3.38Å
362	P	96.4	Very high	96.5	Very high	30 Å²	30	30.4 Å²	30.4	20%	0.195	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	117.9	174.4	-21.1	31.2	0	0	0	110.8	G331 V332 E348 Y359 G364	G331-P362 WeakPolarHBondContact CA-O 3.32Å; V332-P362 HydrophobicContact CG2-CB 3.87Å; V332-P362 HydrophobicContact CG2-CG 4.16Å; V332-P362 PolarHBondContact N-O 3.32Å; E348-P362 HydrophobicContact CG-CG 4.32Å; Y359-P362 WeakPolarHBondContact OH-CD 3.31Å; P362-G364 VanDerWaalsContact C-N 3.25Å; P362-G364 PolarHBondContact O-N 2.86Å
363	G	96.5	Very high	96.6	Very high	74 Å²	74	32 Å²	32	76%	0.763	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	14.7	-174.6	0	0	0	0	0	114.8	G331 Y361	G331-G363 WeakPolarHBondContact CA-O 3.07Å; Y361-G363 PolarHBondContact O-N 3.43Å; Y361-G363 VanDerWaalsContact O-N 3.11Å
364	G	97.3	Very high	96.8	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	16%	0.163	C	C	.	.	S	Bend	trans	-133.1	-151.6	-179.9	0	0	0	0	0	113	D329 R360 Y361 P362	D329-G364 CarbonylContact O-C 3.59Å; D329-G364 WeakPolarHBondContact O-CA 3.33Å; R360-G364 VanDerWaalsContact CG-O 3.31Å; R360-G364 WeakPolarHBondContact CG-O 3.4Å; Y361-G364 PolarHBondContact O-N 2.86Å; P362-G364 VanDerWaalsContact C-N 3.25Å; P362-G364 PolarHBondContact O-N 2.86Å
365	E	98.1	Very high	97	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	15%	0.151	C	C	.	.			trans	-112.7	159.6	-172.1	-71.9	179.1	133.1	0	0	113	I328 D329 Y361 D369 R373	I328-E365 HydrophobicContact CG1-CB 3.78Å; D329-E365 HydrophobicContact CB-CB 4.36Å; D329-E365 HydrophobicContact CB-CG 3.98Å; D329-E365 PolarHBondContact N-OE2 3.11Å; D329-E365 PolarHBondContact O-N 2.79Å; Y361-E365 PolarHBondContact N-O 3.38Å; E365-D369 HydrophobicContact CB-CB 4.22Å; E365-D369 HydrophobicContact CG-CB 4.3Å; E365-R373 IonicContact OE1-CZ 3.28Å; E365-R373 IonicContact OE1-NE 3.9Å; E365-R373 PolarHBondContact OE1-NE 3.26Å; E365-R373 IonicContact OE1-NH2 2.63Å; E365-R373 PolarHBondContact OE1-NH2 3.31Å; E365-R373 IonicContact OE2-CZ 2.67Å; E365-R373 IonicContact OE2-NE 3.18Å; E365-R373 IonicContact OE2-NH2 3.78Å; E365-R373 PolarHBondContact OE2-NH2 3.13Å
366	S	98.4	Very high	97.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.16	C	C	.	.			trans	-103.3	170.1	161.4	65.4	0	0	0	0	111	Y359 Q368 D369 L370	Y359-S366 VanDerWaalsContact O-CA 3.23Å; Y359-S366 WeakPolarHBondContact O-CA 3.47Å; Y359-S366 WeakPolarHBondContact O-CB 3.37Å; S366-Q368 PolarHBondContact O-N 3.15Å; S366-Q368 PolarHBondContact OG-N 2.95Å; S366-D369 WeakPolarHBondContact CB-OD2 3.44Å; S366-D369 PolarHBondContact N-OD2 3.14Å; S366-D369 PolarHBondContact O-N 3.45Å; S366-D369 PolarHBondContact OG-N 2.91Å; S366-D369 VanDerWaalsContact OG-N 3.07Å; S366-D369 PolarHBondContact OG-OD2 3.19Å; S366-L370 PolarHBondContact O-N 2.64Å
367	Y	98.4	Very high	97.2	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.02	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-30.4	169.7	-84	-91.3	0	0	0	111.8	I328 K356 Y357 L370 V371 A394 R397 L411 P412	I328-Y367 HydrophobicContact CD1-CD2 4.22Å; I328-Y367 HydrophobicContact CD1-CE2 4.36Å; K356-Y367 HydrophobicContact CG-CE2 4.39Å; K356-Y367 WeakPolarHBondContact O-CD2 3.45Å; Y357-Y367 PolarHBondContact O-N 3.27Å; Y367-L370 HydrophobicContact CD1-CD2 4.5Å; Y367-L370 WeakPolarHBondContact O-CB 3.49Å; Y367-L370 PolarHBondContact O-N 3.12Å; Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.08Å; Y367-A394 HydrophobicContact CE1-CB 3.68Å; Y367-R397 HydrophobicContact CE1-CB 4.46Å; Y367-R397 PolarHBondContact OH-NH1 3.02Å; Y367-L411 HydrophobicContact CD1-CD2 3.34Å; Y367-L411 HydrophobicContact CE1-CD2 3.92Å; Y367-L411 HydrophobicContact CG-CD2 4.1Å; Y367-P412 HydrophobicContact CD1-CB 4.5Å; Y367-P412 HydrophobicContact CD1-CG 4.41Å; Y367-P412 HydrophobicContact CD2-CB 3.98Å; Y367-P412 HydrophobicContact CD2-CG 4.05Å; Y367-P412 HydrophobicContact CE1-CB 4.32Å; Y367-P412 HydrophobicContact CE2-CB 3.81Å; Y367-P412 HydrophobicContact CE2-CG 4.39Å; Y367-P412 HydrophobicContact CG-CB 4.32Å; Y367-P412 HydrophobicContact CG-CG 4.06Å
368	Q	97.2	Very high	97.2	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-40.8	173.9	-172.4	-179.8	36.6	0	0	112.1	C29 S30 Y357 S366 L370 V371 Q372	C29-Q368 VanDerWaalsContact C-NE2 3.33Å; C29-Q368 PolarHBondContact O-NE2 3.39Å; S30-Q368 VanDerWaalsContact CA-NE2 3.27Å; Y357-Q368 HydrophobicContact CD1-CB 4.45Å; Y357-Q368 HydrophobicContact CE1-CB 3.88Å; Y357-Q368 HydrophobicContact CE1-CG 4.18Å; Y357-Q368 PolarHBondContact O-N 3.38Å; S366-Q368 PolarHBondContact O-N 3.15Å; S366-Q368 PolarHBondContact OG-N 2.95Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-V371 PolarHBondContact O-N 2.72Å; Q368-Q372 WeakPolarHBondContact O-CG 3.29Å; Q368-Q372 PolarHBondContact O-N 3.42Å
369	D	97.4	Very high	97.1	Very high	26 Å²	26	25.3 Å²	25.3	14%	0.139	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-41.5	174.7	-58.4	-46.3	0	0	0	110.7	R360 E365 S366 V371 Q372 R373	R360-D369 IonicContact CZ-OD1 2.66Å; R360-D369 IonicContact CZ-OD2 3.58Å; R360-D369 IonicContact NE-OD1 3.86Å; R360-D369 IonicContact NE-OD2 3.64Å; R360-D369 PolarHBondContact NE-OD2 2.95Å; R360-D369 IonicContact NH2-OD1 3.72Å; R360-D369 PolarHBondContact NH2-OD1 3.02Å; R360-D369 IonicContact NH2-OD2 2.77Å; R360-D369 PolarHBondContact NH2-OD2 3.05Å; E365-D369 HydrophobicContact CB-CB 4.22Å; E365-D369 HydrophobicContact CG-CB 4.3Å; S366-D369 WeakPolarHBondContact CB-OD2 3.44Å; S366-D369 PolarHBondContact N-OD2 3.14Å; S366-D369 PolarHBondContact O-N 3.45Å; S366-D369 PolarHBondContact OG-N 2.91Å; S366-D369 VanDerWaalsContact OG-N 3.07Å; S366-D369 PolarHBondContact OG-OD2 3.19Å; D369-V371 PolarHBondContact O-N 3.22Å; D369-Q372 PolarHBondContact O-N 3.49Å; D369-R373 WeakPolarHBondContact O-CB 3.46Å; D369-R373 PolarHBondContact O-N 3.2Å
370	L	97.9	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-41.3	178.1	-176.1	58.4	0	0	0	112.5	I328 S366 Y367 Q368 Q372 R373 L374 A394 V395 C398	I328-L370 HydrophobicContact CB-CD2 4.26Å; S366-L370 PolarHBondContact O-N 2.64Å; Y367-L370 HydrophobicContact CD1-CD2 4.5Å; Y367-L370 WeakPolarHBondContact O-CB 3.49Å; Y367-L370 PolarHBondContact O-N 3.12Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 2.98Å; L370-R373 PolarHBondContact O-N 3.48Å; L370-L374 HydrophobicContact CD1-CD1 3.85Å; L370-L374 HydrophobicContact CD1-CG 4.06Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.38Å; L370-L374 WeakPolarHBondContact O-CB 3.18Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.16Å; L370-L374 PolarHBondContact O-N 3.31Å; L370-A394 HydrophobicContact CD2-CB 3.73Å; L370-V395 HydrophobicContact CD1-CG2 4.11Å; L370-V395 HydrophobicContact CD2-CG2 4.41Å; L370-C398 VanDerWaalsContact CD2-SG 3.56Å
371	V	97.5	Very high	96.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-45.8	173.5	162.1	0	0	0	0	111	W65 Y357 Y367 Q368 D369 R373 L374 E375 C398 L411	W65-V371 HydrophobicContact CD2-CG1 4Å; W65-V371 HydrophobicContact CE3-CG1 3.99Å; W65-V371 HydrophobicContact CH2-CB 4.48Å; W65-V371 HydrophobicContact CH2-CG1 4.01Å; W65-V371 WeakPolarHBondContact CH2-O 3.45Å; W65-V371 HydrophobicContact CZ2-CB 4.3Å; W65-V371 HydrophobicContact CZ2-CG1 4.03Å; W65-V371 HydrophobicContact CZ2-CG2 4.16Å; W65-V371 HydrophobicContact CZ3-CG1 3.98Å; W65-V371 WeakPolarHBondContact O-CG1 3.3Å; Y357-V371 HydrophobicContact CE2-CG2 4.37Å; Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.08Å; Q368-V371 PolarHBondContact O-N 2.72Å; D369-V371 PolarHBondContact O-N 3.22Å; V371-R373 PolarHBondContact O-N 2.87Å; V371-L374 PolarHBondContact O-N 2.96Å; V371-E375 PolarHBondContact O-N 3.27Å; V371-C398 HydrophobicContact CG2-CB 4.42Å; V371-L411 HydrophobicContact CG2-CD1 4.07Å
372	Q	94.5	Very high	96.5	Very high	72 Å²	72	21.2 Å²	21.2	34%	0.336	13%	0.13	S	C	.	.	H	α-helix	trans	-63.2	-42.6	177.3	-67.1	175.6	16.8	0	0	111.6	Q368 D369 L370 L374 E375	Q368-Q372 WeakPolarHBondContact O-CG 3.29Å; Q368-Q372 PolarHBondContact O-N 3.42Å; D369-Q372 PolarHBondContact O-N 3.49Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 2.98Å; Q372-L374 VanDerWaalsContact C-N 3.3Å; Q372-L374 PolarHBondContact O-N 2.78Å; Q372-E375 WeakPolarHBondContact O-CB 3.41Å; Q372-E375 PolarHBondContact O-N 3.29Å
373	R	97.8	Very high	96.2	Very high	49 Å²	49	25.7 Å²	25.7	19%	0.185	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-34.3	177	175.8	162.8	60.7	92.4	-24.1	112.9	I324 N326 E327 E365 D369 L370 V371 P376	I324-R373 VanDerWaalsContact C-NH1 3.3Å; I324-R373 HydrophobicContact CB-CG 3.84Å; I324-R373 HydrophobicContact CG2-CG 4.01Å; I324-R373 PolarHBondContact O-NH1 3.38Å; N326-R373 PolarHBondContact O-NH1 3.48Å; N326-R373 PolarHBondContact O-NH2 3.47Å; E327-R373 PolarHBondContact O-NH2 3.38Å; E365-R373 IonicContact OE1-CZ 3.28Å; E365-R373 IonicContact OE1-NE 3.9Å; E365-R373 PolarHBondContact OE1-NE 3.26Å; E365-R373 IonicContact OE1-NH2 2.63Å; E365-R373 PolarHBondContact OE1-NH2 3.31Å; E365-R373 IonicContact OE2-CZ 2.67Å; E365-R373 IonicContact OE2-NE 3.18Å; E365-R373 IonicContact OE2-NH2 3.78Å; E365-R373 PolarHBondContact OE2-NH2 3.13Å; D369-R373 WeakPolarHBondContact O-CB 3.46Å; D369-R373 PolarHBondContact O-N 3.2Å; L370-R373 PolarHBondContact O-N 3.48Å; V371-R373 PolarHBondContact O-N 2.87Å; R373-P376 WeakPolarHBondContact O-CD 3.23Å
374	L	98.3	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-86.4	-5.3	-177.8	-70.5	172.2	0	0	0	113.9	W65 I324 L325 L370 V371 Q372 V377 I378 V395 C398 L399	W65-L374 HydrophobicContact CH2-CB 3.96Å; W65-L374 HydrophobicContact CZ2-CB 4.34Å; I324-L374 WeakPolarHBondContact O-CD2 3.34Å; L325-L374 HydrophobicContact CD2-CD2 3.93Å; L370-L374 HydrophobicContact CD1-CD1 3.85Å; L370-L374 HydrophobicContact CD1-CG 4.06Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.38Å; L370-L374 WeakPolarHBondContact O-CB 3.18Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.16Å; L370-L374 PolarHBondContact O-N 3.31Å; V371-L374 PolarHBondContact O-N 2.96Å; Q372-L374 VanDerWaalsContact C-N 3.3Å; Q372-L374 PolarHBondContact O-N 2.78Å; L374-V377 HydrophobicContact CD2-CB 4.45Å; L374-V377 HydrophobicContact CD2-CG2 3.97Å; L374-V377 WeakPolarHBondContact O-CB 3.39Å; L374-V377 PolarHBondContact O-N 3.3Å; L374-I378 PolarHBondContact O-N 3.41Å; L374-I378 VanDerWaalsContact O-N 3.09Å; L374-V395 HydrophobicContact CD1-CG1 4.04Å; L374-V395 HydrophobicContact CD2-CG1 3.92Å; L374-C398 HydrophobicContact CD1-CB 3.51Å; L374-L399 HydrophobicContact CD1-CD2 4.4Å
375	E	96.1	Very high	95.2	Very high	25 Å²	25	24.6 Å²	24.6	12%	0.117	12%	0.124	C	C	.	.	H	α-helix	trans	-51.9	-47	178.8	-167.6	-169	166	0	0	112.7	Y62 W65 I66 K238 V371 Q372 V377 I378 M379	Y62-E375 HydrophobicContact CE2-CG 4.15Å; Y62-E375 PolarHBondContact OH-OE1 3.32Å; W65-E375 HydrophobicContact CZ3-CB 4.3Å; I66-E375 HydrophobicContact CG2-CG 4.2Å; K238-E375 IonicContact NZ-OE1 2.69Å; K238-E375 PolarHBondContact NZ-OE1 3.39Å; K238-E375 IonicContact NZ-OE2 3.64Å; K238-E375 PolarHBondContact NZ-OE2 3.31Å; V371-E375 PolarHBondContact O-N 3.27Å; Q372-E375 WeakPolarHBondContact O-CB 3.41Å; Q372-E375 PolarHBondContact O-N 3.29Å; E375-V377 VanDerWaalsContact C-N 3.28Å; E375-V377 PolarHBondContact O-N 3.02Å; E375-I378 PolarHBondContact O-N 3.02Å; E375-I378 VanDerWaalsContact O-N 3.16Å; E375-M379 WeakPolarHBondContact O-CG 3.36Å; E375-M379 PolarHBondContact O-N 3.4Å; E375-M379 VanDerWaalsContact O-N 3.09Å
376	P	96.6	Very high	94.9	Very high	65 Å²	65	25.3 Å²	25.3	42%	0.422	13%	0.128	S	C	.	.	H	α-helix	trans	-63.2	-31.6	177.7	-20.9	34.3	0	0	0	113.6	I324 R373 M379 E380	I324-P376 HydrophobicContact CD1-CB 3.9Å; I324-P376 HydrophobicContact CD1-CG 4.18Å; R373-P376 WeakPolarHBondContact O-CD 3.23Å; P376-M379 PolarHBondContact O-N 3.36Å; P376-E380 PolarHBondContact O-N 3.48Å; P376-E380 VanDerWaalsContact O-N 3.07Å
377	V	97.6	Very high	94.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-43.9	175.3	-177.2	0	0	0	0	110.2	W301 W322 I324 L325 L374 E375 M379 E380 L381 L399	W301-V377 HydrophobicContact CE3-CG1 4.41Å; W301-V377 HydrophobicContact CZ3-CG1 4.2Å; W322-V377 HydrophobicContact CE3-CG2 4.11Å; W322-V377 HydrophobicContact CZ3-CG2 4.42Å; I324-V377 HydrophobicContact CD1-CG2 3.47Å; I324-V377 VanDerWaalsContact CD1-CG2 3.47Å; I324-V377 HydrophobicContact CG1-CG2 3.67Å; L325-V377 HydrophobicContact CD2-CG1 4.01Å; L325-V377 HydrophobicContact CD2-CG2 4.06Å; L325-V377 HydrophobicContact CG-CG2 4.24Å; L374-V377 HydrophobicContact CD2-CB 4.45Å; L374-V377 HydrophobicContact CD2-CG2 3.97Å; L374-V377 WeakPolarHBondContact O-CB 3.39Å; L374-V377 PolarHBondContact O-N 3.3Å; E375-V377 VanDerWaalsContact C-N 3.28Å; E375-V377 PolarHBondContact O-N 3.02Å; V377-M379 VanDerWaalsContact C-N 3.31Å; V377-M379 PolarHBondContact O-N 3.21Å; V377-E380 PolarHBondContact O-N 3.09Å; V377-L381 HydrophobicContact CG1-CD1 4.15Å; V377-L381 HydrophobicContact CG1-CG 4.32Å; V377-L381 WeakPolarHBondContact O-CG 3.25Å; V377-L381 PolarHBondContact O-N 2.73Å; V377-L399 HydrophobicContact CG1-CD2 4.15Å
378	I	95.9	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-41.1	177.4	-65.2	-59.3	0	0	0	111.1	W65 L374 E375 E380 L381 E382 L399 Y402 F403	W65-I378 HydrophobicContact CE3-CG1 4.46Å; W65-I378 HydrophobicContact CH2-CD1 4.5Å; W65-I378 HydrophobicContact CH2-CG1 3.54Å; W65-I378 HydrophobicContact CZ2-CD1 4.43Å; W65-I378 HydrophobicContact CZ2-CG1 3.93Å; W65-I378 HydrophobicContact CZ3-CB 4.49Å; W65-I378 HydrophobicContact CZ3-CG1 3.85Å; L374-I378 PolarHBondContact O-N 3.41Å; L374-I378 VanDerWaalsContact O-N 3.09Å; E375-I378 PolarHBondContact O-N 3.02Å; E375-I378 VanDerWaalsContact O-N 3.16Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 2.65Å; I378-L381 HydrophobicContact CD1-CD1 4.44Å; I378-L381 PolarHBondContact O-N 3.06Å; I378-E382 HydrophobicContact CG2-CG 4.46Å; I378-E382 WeakPolarHBondContact O-CG 3.4Å; I378-E382 PolarHBondContact O-N 2.83Å; I378-L399 HydrophobicContact CD1-CD2 3.57Å; I378-L399 HydrophobicContact CG1-CD2 4.35Å; I378-Y402 HydrophobicContact CD1-CD1 3.71Å; I378-Y402 HydrophobicContact CD1-CE1 4.41Å; I378-Y402 HydrophobicContact CD1-CG 3.78Å; I378-Y402 HydrophobicContact CG1-CD1 4.47Å; I378-Y402 HydrophobicContact CG1-CG 4.28Å; I378-Y402 HydrophobicContact CG2-CD1 3.78Å; I378-Y402 HydrophobicContact CG2-CD2 3.84Å; I378-Y402 HydrophobicContact CG2-CE1 3.49Å; I378-Y402 VanDerWaalsContact CG2-CE1 3.49Å; I378-Y402 HydrophobicContact CG2-CE2 3.55Å; I378-Y402 HydrophobicContact CG2-CG 3.95Å; I378-F403 HydrophobicContact CD1-CE2 4.35Å
379	M	94.5	Very high	94.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-42.3	177	-59.6	-60	88	0	0	111.7	Y62 Y241 Y242 E375 P376 V377 E382 R383	Y62-M379 HydrophobicContact CD2-CE 3.75Å; Y62-M379 HydrophobicContact CE2-CE 3.51Å; Y62-M379 HydrophobicContact CE2-SD 4.21Å; Y241-M379 HydrophobicContact CD1-SD 4.24Å; Y241-M379 HydrophobicContact CE1-CB 4.43Å; Y241-M379 HydrophobicContact CE1-CG 3.67Å; Y241-M379 HydrophobicContact CE1-SD 3.96Å; Y242-M379 HydrophobicContact CD2-CE 3.53Å; Y242-M379 HydrophobicContact CD2-SD 3.81Å; Y242-M379 HydrophobicContact CE2-CE 3.78Å; E375-M379 WeakPolarHBondContact O-CG 3.36Å; E375-M379 PolarHBondContact O-N 3.4Å; E375-M379 VanDerWaalsContact O-N 3.09Å; P376-M379 PolarHBondContact O-N 3.36Å; V377-M379 VanDerWaalsContact C-N 3.31Å; V377-M379 PolarHBondContact O-N 3.21Å; M379-E382 PolarHBondContact O-N 2.92Å; M379-R383 PolarHBondContact O-N 3.26Å
380	E	94.6	Very high	94.9	Very high	27 Å²	27	23.4 Å²	23.4	13%	0.126	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-40.1	177.6	-163.7	61.7	-145.8	0	0	111.7	W301 W322 P376 V377 I378 E382 R383 Q384	W301-E380 HydrophobicContact CH2-CB 3.69Å; W301-E380 HydrophobicContact CH2-CG 3.34Å; W301-E380 HydrophobicContact CZ2-CB 4.4Å; W301-E380 HydrophobicContact CZ2-CG 3.57Å; W301-E380 HydrophobicContact CZ3-CB 4.28Å; W301-E380 HydrophobicContact CZ3-CG 4.31Å; W322-E380 HydrophobicContact CH2-CB 3.93Å; W322-E380 HydrophobicContact CH2-CG 3.79Å; W322-E380 HydrophobicContact CZ2-CG 4.23Å; P376-E380 PolarHBondContact O-N 3.48Å; P376-E380 VanDerWaalsContact O-N 3.07Å; V377-E380 PolarHBondContact O-N 3.09Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 2.65Å; E380-E382 VanDerWaalsContact C-N 3.29Å; E380-E382 PolarHBondContact O-N 2.91Å; E380-R383 PolarHBondContact O-N 3.33Å; E380-R383 VanDerWaalsContact O-N 3.08Å; E380-R383 IonicContact OE1-CZ 3.07Å; E380-R383 IonicContact OE1-NE 3.11Å; E380-R383 PolarHBondContact OE1-NE 3.14Å; E380-R383 IonicContact OE1-NH2 3.01Å; E380-R383 PolarHBondContact OE1-NH2 3.22Å; E380-R383 IonicContact OE2-CZ 3.91Å; E380-R383 IonicContact OE2-NE 2.67Å; E380-R383 PolarHBondContact OE2-NE 2.91Å; E380-R383 IonicContact OE2-NH1 2.86Å; E380-R383 IonicContact OE2-NH2 2.71Å; E380-R383 PolarHBondContact OE2-NH2 2.81Å; E380-Q384 HydrophobicContact CG-CG 4.02Å; E380-Q384 WeakPolarHBondContact O-CB 3.49Å; E380-Q384 WeakPolarHBondContact O-CG 3.2Å; E380-Q384 PolarHBondContact O-N 2.81Å; E380-Q384 WeakPolarHBondContact OE1-CG 3.34Å; E380-Q384 PolarHBondContact OE1-NE2 3.3Å
381	L	93.8	Very high	94.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-35.4	174.9	-73.2	175.7	0	0	0	112.7	I253 W301 V377 I378 R383 V387 V389 L399 F403	I253-L381 HydrophobicContact CD1-CB 4.3Å; I253-L381 HydrophobicContact CG2-CD2 4.07Å; W301-L381 HydrophobicContact CE3-CD2 4.1Å; W301-L381 HydrophobicContact CH2-CD2 3.86Å; W301-L381 HydrophobicContact CH2-CG 4.26Å; W301-L381 HydrophobicContact CZ3-CD2 3.36Å; W301-L381 HydrophobicContact CZ3-CG 3.67Å; V377-L381 HydrophobicContact CG1-CD1 4.15Å; V377-L381 HydrophobicContact CG1-CG 4.32Å; V377-L381 WeakPolarHBondContact O-CG 3.25Å; V377-L381 PolarHBondContact O-N 2.73Å; I378-L381 HydrophobicContact CD1-CD1 4.44Å; I378-L381 PolarHBondContact O-N 3.06Å; L381-R383 PolarHBondContact O-N 2.95Å; L381-V387 HydrophobicContact CD2-CB 4.08Å; L381-V387 HydrophobicContact CD2-CG1 3.93Å; L381-V387 HydrophobicContact CD2-CG2 4.42Å; L381-V389 HydrophobicContact CD2-CG2 3.95Å; L381-L399 HydrophobicContact CD1-CD2 4.38Å; L381-F403 HydrophobicContact CB-CZ 3.98Å; L381-F403 HydrophobicContact CD1-CE2 3.77Å; L381-F403 HydrophobicContact CD1-CZ 3.87Å
382	E	91.3	Very high	95	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-72	-19.2	175.8	-74.4	-75.2	178.3	0	0	113.2	K58 R61 Y242 N245 I246 H247 I378 M379 E380 Y402	K58-E382 IonicContact NZ-OE1 3.76Å; K58-E382 IonicContact NZ-OE2 3.56Å; K58-E382 PolarHBondContact NZ-OE2 3.42Å; R61-E382 IonicContact NH2-OE1 3.88Å; R61-E382 PolarHBondContact NH2-OE1 2.94Å; Y242-E382 HydrophobicContact CE2-CG 4.45Å; N245-E382 CarbonylContact O-C 3.57Å; N245-E382 VanDerWaalsContact O-O 3.13Å; I246-E382 HydrophobicContact CG2-CB 4.4Å; H247-E382 PolarHBondContact CD2-O 2.83Å; H247-E382 PolarHBondContact NE2-O 2.81Å; I378-E382 HydrophobicContact CG2-CG 4.46Å; I378-E382 WeakPolarHBondContact O-CG 3.4Å; I378-E382 PolarHBondContact O-N 2.83Å; M379-E382 PolarHBondContact O-N 2.92Å; E380-E382 VanDerWaalsContact C-N 3.29Å; E380-E382 PolarHBondContact O-N 2.91Å; E382-Y402 VanDerWaalsContact CD-OH 3.29Å; E382-Y402 HydrophobicContact CG-CE1 4.29Å; E382-Y402 WeakPolarHBondContact CG-OH 3.49Å; E382-Y402 WeakPolarHBondContact OE1-CE1 3.31Å; E382-Y402 VanDerWaalsContact OE1-CZ 3.28Å; E382-Y402 PolarHBondContact OE1-OH 3.22Å
383	R	89.7	Confident	95.2	Very high	125 Å²	125	20.8 Å²	20.8	47%	0.472	11%	0.106	S	C	.	.	H	α-helix	trans	-93.5	-26.5	-179.7	-172.2	176.2	77.3	169.4	5.6	113.5	N245 H247 M379 E380 L381	N245-R383 WeakPolarHBondContact O-CA 3.39Å; H247-R383 VanDerWaalsContact CD2-C 3.5Å; H247-R383 PolarHBondContact CD2-O 3.34Å; H247-R383 VanDerWaalsContact CD2-O 3.31Å; H247-R383 PolarHBondContact NE2-O 3.24Å; H247-R383 VanDerWaalsContact NE2-O 3.13Å; M379-R383 PolarHBondContact O-N 3.26Å; E380-R383 PolarHBondContact O-N 3.33Å; E380-R383 VanDerWaalsContact O-N 3.08Å; E380-R383 IonicContact OE1-CZ 3.07Å; E380-R383 IonicContact OE1-NE 3.11Å; E380-R383 PolarHBondContact OE1-NE 3.14Å; E380-R383 IonicContact OE1-NH2 3.01Å; E380-R383 PolarHBondContact OE1-NH2 3.22Å; E380-R383 IonicContact OE2-CZ 3.91Å; E380-R383 IonicContact OE2-NE 2.67Å; E380-R383 PolarHBondContact OE2-NE 2.91Å; E380-R383 IonicContact OE2-NH1 2.86Å; E380-R383 IonicContact OE2-NH2 2.71Å; E380-R383 PolarHBondContact OE2-NH2 2.81Å; L381-R383 PolarHBondContact O-N 2.95Å
384	Q	87.9	Confident	95.2	Very high	31 Å²	31	18.5 Å²	18.5	15%	0.145	10%	0.098	C	C	.	.			trans	-93.8	160.8	-170.8	-68.6	-65.3	-14.8	0	0	112.7	H247 H251 K299 W301 E380 V387	H247-Q384 PolarHBondContact CE1-O 2.83Å; H247-Q384 PolarHBondContact NE2-O 2.93Å; H251-Q384 PolarHBondContact CD2-O 3.12Å; K299-Q384 VanDerWaalsContact NZ-CD 3.26Å; K299-Q384 VanDerWaalsContact NZ-NE2 3.2Å; W301-Q384 HydrophobicContact CH2-CG 4.2Å; W301-Q384 HydrophobicContact CZ2-CG 4Å; E380-Q384 HydrophobicContact CG-CG 4.02Å; E380-Q384 WeakPolarHBondContact O-CB 3.49Å; E380-Q384 WeakPolarHBondContact O-CG 3.2Å; E380-Q384 PolarHBondContact O-N 2.81Å; E380-Q384 WeakPolarHBondContact OE1-CG 3.34Å; E380-Q384 PolarHBondContact OE1-NE2 3.3Å; Q384-V387 HydrophobicContact CB-CG2 3.56Å; Q384-V387 HydrophobicContact CG-CG2 4.4Å
385	G	86.5	Confident	95.3	Very high	35 Å²	35	18.5 Å²	18.5	36%	0.361	10%	0.098	S	C	.	.	S	Bend	trans	-79.8	-122.5	171.6	0	0	0	0	0	112.3	H251 V387	H251-G385 PolarHBondContact CD2-O 2.81Å; G385-V387 PolarHBondContact O-N 3.08Å
386	N	91.6	Very high	95.4	Very high	49 Å²	49	17.3 Å²	17.3	26%	0.262	9%	0.093	S	C	.	.	S	Bend	trans	-74.8	119.9	-179.5	-63.1	-32	0	0	0	110.7	S252 L298 K299	S252-N386 PolarHBondContact N-OD1 3.26Å; S252-N386 WeakPolarHBondContact O-CA 3.49Å; L298-N386 HydrophobicContact CD1-CB 4.23Å; K299-N386 PolarHBondContact N-O 2.83Å
387	V	95.8	Very high	95.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	-178.8	-175.3	0	0	0	0	110.4	S252 I253 Y254 K299 W301 L381 Q384 G385 V389	S252-V387 PolarHBondContact O-N 3.26Å; I253-V387 CarbonylContact C-O 3.55Å; I253-V387 WeakPolarHBondContact CA-O 3.3Å; Y254-V387 PolarHBondContact N-O 3.43Å; K299-V387 HydrophobicContact CB-CG2 4.35Å; K299-V387 CarbonylContact O-C 3.59Å; K299-V387 WeakPolarHBondContact O-CA 3.49Å; W301-V387 HydrophobicContact CD2-CG1 3.71Å; W301-V387 HydrophobicContact CE3-CG1 3.82Å; W301-V387 HydrophobicContact CG-CG1 4.26Å; W301-V387 HydrophobicContact CH2-CG1 4.09Å; W301-V387 HydrophobicContact CH2-CG2 4.37Å; W301-V387 HydrophobicContact CZ2-CG1 4.05Å; W301-V387 HydrophobicContact CZ2-CG2 4.31Å; W301-V387 HydrophobicContact CZ3-CG1 4.03Å; L381-V387 HydrophobicContact CD2-CB 4.08Å; L381-V387 HydrophobicContact CD2-CG1 3.93Å; L381-V387 HydrophobicContact CD2-CG2 4.42Å; Q384-V387 HydrophobicContact CB-CG2 3.56Å; Q384-V387 HydrophobicContact CG-CG2 4.4Å; G385-V387 PolarHBondContact O-N 3.08Å; V387-V389 HydrophobicContact CG1-CG2 3.92Å
388	L	97.8	Very high	95.5	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.8	166.3	171	64.3	0	0	0	109.7	Y254 L286 I290 L298 K299 V300 W301 L315 I390	Y254-L388 CarbonylContact O-C 3.55Å; Y254-L388 WeakPolarHBondContact O-CA 3.24Å; L286-L388 HydrophobicContact CD2-CD2 4.48Å; I290-L388 HydrophobicContact CD1-CD2 3.67Å; I290-L388 HydrophobicContact CG1-CD2 4.49Å; L298-L388 HydrophobicContact CD1-CB 3.95Å; L298-L388 HydrophobicContact CD2-CB 3.96Å; L298-L388 HydrophobicContact CD2-CD2 4.31Å; L298-L388 HydrophobicContact CG-CB 4.11Å; K299-L388 PolarHBondContact O-N 3.19Å; V300-L388 CarbonylContact C-O 3.58Å; V300-L388 WeakPolarHBondContact CA-O 3.4Å; V300-L388 HydrophobicContact CG1-CD2 4.44Å; V300-L388 HydrophobicContact CG2-CB 4.4Å; V300-L388 HydrophobicContact CG2-CD2 4.32Å; W301-L388 PolarHBondContact N-O 2.94Å; L315-L388 HydrophobicContact CD1-CD2 3.96Å; L388-I390 HydrophobicContact CD1-CG1 4.47Å; L388-I390 HydrophobicContact CD2-CD1 4.29Å; L388-I390 HydrophobicContact CD2-CG1 4.28Å; L388-I390 HydrophobicContact CG-CG1 4.09Å
389	V	98.6	Very high	95.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.9	175.8	-172	0	0	0	0	109.7	Y254 L255 C256 W301 L325 L381 V387 C391 L399	Y254-V389 PolarHBondContact O-N 3.3Å; L255-V389 HydrophobicContact CD2-CB 3.68Å; L255-V389 HydrophobicContact CD2-CG2 3.89Å; C256-V389 PolarHBondContact N-O 3.04Å; C256-V389 VanDerWaalsContact N-O 3.08Å; C256-V389 VanDerWaalsContact O-O 3.07Å; W301-V389 HydrophobicContact CE3-CG2 3.93Å; L325-V389 HydrophobicContact CD1-CG1 3.79Å; L325-V389 HydrophobicContact CD2-CG1 4.02Å; L381-V389 HydrophobicContact CD2-CG2 3.95Å; V387-V389 HydrophobicContact CG1-CG2 3.92Å; V389-C391 HydrophobicContact CG1-CB 4.14Å; V389-L399 HydrophobicContact CG1-CD1 4.17Å
390	I	98.8	Very high	95.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.3	175.2	-53.5	170.4	0	0	0	108.1	L286 V300 W301 T302 T308 T311 A312 L315 L388	L286-I390 HydrophobicContact CD2-CD1 4.25Å; V300-I390 HydrophobicContact CG1-CD1 3.9Å; V300-I390 HydrophobicContact CG1-CG1 4.5Å; W301-I390 PolarHBondContact O-N 2.96Å; T302-I390 WeakPolarHBondContact CA-O 3.48Å; T302-I390 HydrophobicContact CG2-CB 4.47Å; T308-I390 HydrophobicContact CG2-CG2 4.25Å; T308-I390 WeakPolarHBondContact CG2-O 3.46Å; T311-I390 HydrophobicContact CG2-CD1 4.27Å; T311-I390 HydrophobicContact CG2-CG2 3.98Å; A312-I390 HydrophobicContact CB-CD1 3.89Å; L315-I390 HydrophobicContact CD1-CD1 3.87Å; L388-I390 HydrophobicContact CD1-CG1 4.47Å; L388-I390 HydrophobicContact CD2-CD1 4.29Å; L388-I390 HydrophobicContact CD2-CG1 4.28Å; L388-I390 HydrophobicContact CG-CG1 4.09Å
391	C	98.7	Very high	95.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	-145.7	-171.1	63	0	0	0	0	112.4	C256 R257 H258 V389 V395	C256-C391 PolarHBondContact O-N 2.73Å; R257-C391 CarbonylContact C-O 3.58Å; R257-C391 VanDerWaalsContact CA-O 3.3Å; R257-C391 WeakPolarHBondContact CA-O 3.44Å; H258-C391 PolarHBondContact CD2-O 2.79Å; H258-C391 VanDerWaalsContact CD2-O 3.26Å; H258-C391 PolarHBondContact N-O 3.46Å; V389-C391 HydrophobicContact CG1-CB 4.14Å; C391-V395 HydrophobicContact CB-CB 4.25Å; C391-V395 HydrophobicContact CB-CG1 3.78Å
392	H	98.8	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.			trans	-130.3	176.3	-170.4	-51.5	-88.7	0	0	0	111.7	H258 S303 R307 L325 E327 V395 M396	H258-H392 AromaticContact CD2-CE1 3.83Å; H258-H392 AromaticContact CD2-ND1 3.23Å; H258-H392 PolarHBondContact CD2-ND1 2.66Å; H258-H392 AromaticContact NE2-ND1 3.54Å; S303-H392 VanDerWaalsContact CB-NE2 3.27Å; S303-H392 WeakPolarHBondContact CB-NE2 3.45Å; S303-H392 PolarHBondContact OG-NE2 3.06Å; R307-H392 PolarHBondContact NE-CE1 3.28Å; R307-H392 PolarHBondContact NE-ND1 2.97Å; R307-H392 PolarHBondContact NH2-CE1 3.13Å; R307-H392 PolarHBondContact NH2-ND1 3.06Å; L325-H392 PolarHBondContact O-CD2 2.9Å; E327-H392 HydrophobicContact CB-CB 3.72Å; E327-H392 HydrophobicContact CG-CB 3.89Å; E327-H392 PolarHBondContact N-CD2 3.45Å; E327-H392 VanDerWaalsContact N-CD2 3.3Å; E327-H392 WeakPolarHBondContact OE1-CB 3.35Å; E327-H392 WeakPolarHBondContact OE2-CB 3.31Å; H392-V395 HydrophobicContact CB-CG2 4.42Å; H392-M396 WeakPolarHBondContact O-CB 3.22Å; H392-M396 PolarHBondContact O-N 3.4Å
393	Q	98.6	Very high	96.2	Very high	18 Å²	18	13 Å²	13	8%	0.084	7%	0.067	C	C	.	.	H	α-helix	trans	-67.3	-47.8	-171.2	-173.3	171.6	-93.8	0	0	112.3	E327 R397 T445	E327-Q393 PolarHBondContact OE2-N 3.18Å; Q393-R397 WeakPolarHBondContact O-CD 3.43Å; Q393-R397 WeakPolarHBondContact O-CG 3.25Å; Q393-R397 PolarHBondContact O-N 3.19Å; Q393-T445 PolarHBondContact NE2-O 3.07Å; Q393-T445 VanDerWaalsContact NE2-O 3.12Å; Q393-T445 PolarHBondContact OE1-O 3.34Å; Q393-T445 PolarHBondContact OE1-OG1 3.44Å
394	A	98.5	Very high	96.5	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.017	6%	0.056	C	C	.	.	H	α-helix	trans	-72.2	-40.2	-179.1	0	0	0	0	0	111.3	E327 I328 Y367 L370 R397 C398	E327-A394 WeakPolarHBondContact OE1-CB 3.36Å; E327-A394 PolarHBondContact OE1-N 3.25Å; E327-A394 VanDerWaalsContact OE1-N 3.07Å; E327-A394 PolarHBondContact OE2-N 3.28Å; I328-A394 HydrophobicContact CB-CB 3.83Å; I328-A394 HydrophobicContact CG2-CB 3.58Å; Y367-A394 HydrophobicContact CE1-CB 3.68Å; L370-A394 HydrophobicContact CD2-CB 3.73Å; A394-R397 WeakPolarHBondContact O-CB 3.38Å; A394-R397 PolarHBondContact O-N 3.26Å; A394-C398 PolarHBondContact O-N 3.22Å; A394-C398 VanDerWaalsContact O-N 3.15Å; A394-C398 PolarHBondContact O-SG 3.25Å
395	V	98.8	Very high	96.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-52.1	176.4	175.8	0	0	0	0	111.4	L325 N326 E327 L370 L374 C391 H392 R397 C398 L399	L325-V395 HydrophobicContact CD2-CG1 3.8Å; N326-V395 WeakPolarHBondContact O-CG2 3.41Å; E327-V395 PolarHBondContact OE1-N 3.34Å; L370-V395 HydrophobicContact CD1-CG2 4.11Å; L370-V395 HydrophobicContact CD2-CG2 4.41Å; L374-V395 HydrophobicContact CD1-CG1 4.04Å; L374-V395 HydrophobicContact CD2-CG1 3.92Å; C391-V395 HydrophobicContact CB-CB 4.25Å; C391-V395 HydrophobicContact CB-CG1 3.78Å; H392-V395 HydrophobicContact CB-CG2 4.42Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 2.92Å; V395-C398 WeakPolarHBondContact O-CB 3.41Å; V395-C398 PolarHBondContact O-N 3.08Å; V395-C398 VanDerWaalsContact O-N 3.09Å; V395-L399 HydrophobicContact CG1-CD1 4.2Å; V395-L399 HydrophobicContact CG1-CG 4.47Å; V395-L399 WeakPolarHBondContact O-CG 3.3Å; V395-L399 PolarHBondContact O-N 3.13Å
396	M	98.7	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-35.6	-179.1	-172.2	172.5	176.2	0	0	112	L255 R257 H392 L399 L400 C416 L422	L255-M396 HydrophobicContact CB-CE 3.83Å; L255-M396 HydrophobicContact CB-CG 4.39Å; L255-M396 WeakPolarHBondContact O-CE 3.49Å; R257-M396 HydrophobicContact CG-SD 3.82Å; H392-M396 WeakPolarHBondContact O-CB 3.22Å; H392-M396 PolarHBondContact O-N 3.4Å; M396-L399 PolarHBondContact O-N 2.89Å; M396-L400 HydrophobicContact CE-CD1 4.17Å; M396-L400 HydrophobicContact CG-CD1 3.92Å; M396-L400 HydrophobicContact CG-CG 4.33Å; M396-L400 WeakPolarHBondContact O-CB 3.48Å; M396-L400 VanDerWaalsContact O-CG 3.25Å; M396-L400 WeakPolarHBondContact O-CG 3.37Å; M396-L400 PolarHBondContact O-N 2.98Å; M396-C416 HydrophobicContact CB-CB 4.38Å; M396-C416 HydrophobicContact CE-CB 4.46Å; M396-C416 HydrophobicContact CG-CB 4.16Å; M396-C416 HydrophobicContact SD-CB 3.81Å; M396-L422 HydrophobicContact CE-CB 4.11Å; M396-L422 HydrophobicContact CE-CD1 3.72Å; M396-L422 HydrophobicContact CE-CD2 3.79Å; M396-L422 HydrophobicContact CE-CG 4.07Å
397	R	98.6	Very high	97.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.011	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-45.5	173.9	-72.4	171.8	173.9	168.6	-1.5	112.1	Y367 Q393 A394 V395 L400 A401 L411 P412 M414 C416 H446	Y367-R397 HydrophobicContact CE1-CB 4.46Å; Y367-R397 PolarHBondContact OH-NH1 3.02Å; Q393-R397 WeakPolarHBondContact O-CD 3.43Å; Q393-R397 WeakPolarHBondContact O-CG 3.25Å; Q393-R397 PolarHBondContact O-N 3.19Å; A394-R397 WeakPolarHBondContact O-CB 3.38Å; A394-R397 PolarHBondContact O-N 3.26Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 2.92Å; R397-L400 PolarHBondContact O-N 3.39Å; R397-A401 VanDerWaalsContact O-CB 3.28Å; R397-A401 WeakPolarHBondContact O-CB 3.35Å; R397-A401 PolarHBondContact O-N 3.12Å; R397-L411 WeakPolarHBondContact CB-O 3.37Å; R397-P412 VanDerWaalsContact CZ-O 3.24Å; R397-P412 PolarHBondContact NH1-O 2.78Å; R397-M414 HydrophobicContact CB-CB 4.45Å; R397-M414 HydrophobicContact CG-CB 4.03Å; R397-M414 PolarHBondContact NE-O 2.69Å; R397-C416 VanDerWaalsContact CG-SG 3.57Å; R397-H446 PolarHBondContact NH2-ND1 3.26Å
398	C	98.5	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.2	-67.3	0	0	0	0	111.9	W65 L370 V371 L374 A394 V395 A401 Y402	W65-C398 HydrophobicContact CZ2-CB 4.45Å; W65-C398 PolarHBondContact NE1-O 3.07Å; L370-C398 VanDerWaalsContact CD2-SG 3.56Å; V371-C398 HydrophobicContact CG2-CB 4.42Å; L374-C398 HydrophobicContact CD1-CB 3.51Å; A394-C398 PolarHBondContact O-N 3.22Å; A394-C398 VanDerWaalsContact O-N 3.15Å; A394-C398 PolarHBondContact O-SG 3.25Å; V395-C398 WeakPolarHBondContact O-CB 3.41Å; V395-C398 PolarHBondContact O-N 3.08Å; V395-C398 VanDerWaalsContact O-N 3.09Å; C398-A401 PolarHBondContact O-N 3.05Å; C398-Y402 PolarHBondContact O-N 2.98Å
399	L	98.3	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-47	177.6	-62.3	179.3	0	0	0	111.3	L255 L325 L374 V377 I378 L381 V389 V395 M396 A401 Y402 F403	L255-L399 HydrophobicContact CD1-CB 4.05Å; L255-L399 HydrophobicContact CD2-CD1 4.18Å; L325-L399 HydrophobicContact CD2-CD1 4.42Å; L374-L399 HydrophobicContact CD1-CD2 4.4Å; V377-L399 HydrophobicContact CG1-CD2 4.15Å; I378-L399 HydrophobicContact CD1-CD2 3.57Å; I378-L399 HydrophobicContact CG1-CD2 4.35Å; L381-L399 HydrophobicContact CD1-CD2 4.38Å; V389-L399 HydrophobicContact CG1-CD1 4.17Å; V395-L399 HydrophobicContact CG1-CD1 4.2Å; V395-L399 HydrophobicContact CG1-CG 4.47Å; V395-L399 WeakPolarHBondContact O-CG 3.3Å; V395-L399 PolarHBondContact O-N 3.13Å; M396-L399 PolarHBondContact O-N 2.89Å; L399-A401 VanDerWaalsContact C-N 3.34Å; L399-A401 PolarHBondContact O-N 3.09Å; L399-Y402 WeakPolarHBondContact O-CB 3.17Å; L399-Y402 PolarHBondContact O-N 3.16Å; L399-F403 WeakPolarHBondContact O-CD2 3.39Å; L399-F403 PolarHBondContact O-N 3.46Å
400	L	97.3	Very high	96.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-38.5	177.7	-73.2	167.2	0	0	0	112.3	L255 M396 R397 Y402 F403 L404 M414 C416 L422 L424	L255-L400 HydrophobicContact CD1-CD2 3.77Å; L255-L400 HydrophobicContact CD1-CG 3.89Å; M396-L400 HydrophobicContact CE-CD1 4.17Å; M396-L400 HydrophobicContact CG-CD1 3.92Å; M396-L400 HydrophobicContact CG-CG 4.33Å; M396-L400 WeakPolarHBondContact O-CB 3.48Å; M396-L400 VanDerWaalsContact O-CG 3.25Å; M396-L400 WeakPolarHBondContact O-CG 3.37Å; M396-L400 PolarHBondContact O-N 2.98Å; R397-L400 PolarHBondContact O-N 3.39Å; L400-Y402 PolarHBondContact O-N 3.02Å; L400-F403 PolarHBondContact O-N 2.81Å; L400-L404 HydrophobicContact CD2-CD1 4.43Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.03Å; L400-M414 HydrophobicContact CB-CE 3.34Å; L400-M414 HydrophobicContact CB-SD 4.32Å; L400-M414 HydrophobicContact CD1-CE 4.22Å; L400-M414 HydrophobicContact CG-CE 4.38Å; L400-C416 WeakPolarHBondContact CD1-SG 3.35Å; L400-L422 HydrophobicContact CD1-CD2 3.66Å; L400-L422 HydrophobicContact CD2-CD2 3.63Å; L400-L422 HydrophobicContact CG-CD2 4.28Å; L400-L424 HydrophobicContact CD2-CD1 4.15Å; L400-L424 HydrophobicContact CD2-CD2 3.95Å
401	A	97.5	Very high	96.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-35.8	177.4	0	0	0	0	0	112	R397 C398 L399 D405 K406 L411 M414	R397-A401 VanDerWaalsContact O-CB 3.28Å; R397-A401 WeakPolarHBondContact O-CB 3.35Å; R397-A401 PolarHBondContact O-N 3.12Å; C398-A401 PolarHBondContact O-N 3.05Å; L399-A401 VanDerWaalsContact C-N 3.34Å; L399-A401 PolarHBondContact O-N 3.09Å; A401-D405 WeakPolarHBondContact O-CA 3.31Å; A401-D405 PolarHBondContact O-N 3.12Å; A401-K406 HydrophobicContact CB-CB 3.98Å; A401-K406 PolarHBondContact O-N 3.19Å; A401-L411 HydrophobicContact CB-CB 3.79Å; A401-L411 HydrophobicContact CB-CD1 3.49Å; A401-L411 VanDerWaalsContact CB-CD1 3.49Å; A401-L411 HydrophobicContact CB-CG 3.47Å; A401-L411 VanDerWaalsContact CB-CG 3.47Å; A401-M414 HydrophobicContact CB-SD 3.82Å
402	Y	96.8	Very high	96.7	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-55.2	171.2	173.9	-99.3	0	0	0	111.6	R61 Y62 W65 Y242 I378 E382 C398 L399 L400 L404 D405	R61-Y402 WeakPolarHBondContact CD-O 3.39Å; R61-Y402 WeakPolarHBondContact CG-O 3.49Å; R61-Y402 PolarHBondContact NE-O 3.44Å; Y62-Y402 HydrophobicContact CD2-CE2 4.37Å; W65-Y402 HydrophobicContact CB-CD2 3.96Å; W65-Y402 AromaticContact CD2-CD2 3.97Å; W65-Y402 HydrophobicContact CD2-CD2 3.97Å; W65-Y402 HydrophobicContact CD2-CG 4.47Å; W65-Y402 HydrophobicContact CE3-CD2 4.3Å; W65-Y402 AromaticContact CG-CD2 3.82Å; W65-Y402 HydrophobicContact CG-CD2 3.82Å; W65-Y402 HydrophobicContact CG-CG 4.39Å; Y242-Y402 WeakPolarHBondContact CE2-OH 3.38Å; Y242-Y402 PolarHBondContact OH-OH 3.05Å; I378-Y402 HydrophobicContact CD1-CD1 3.71Å; I378-Y402 HydrophobicContact CD1-CE1 4.41Å; I378-Y402 HydrophobicContact CD1-CG 3.78Å; I378-Y402 HydrophobicContact CG1-CD1 4.47Å; I378-Y402 HydrophobicContact CG1-CG 4.28Å; I378-Y402 HydrophobicContact CG2-CD1 3.78Å; I378-Y402 HydrophobicContact CG2-CD2 3.84Å; I378-Y402 HydrophobicContact CG2-CE1 3.49Å; I378-Y402 VanDerWaalsContact CG2-CE1 3.49Å; I378-Y402 HydrophobicContact CG2-CE2 3.55Å; I378-Y402 HydrophobicContact CG2-CG 3.95Å; E382-Y402 VanDerWaalsContact CD-OH 3.29Å; E382-Y402 HydrophobicContact CG-CE1 4.29Å; E382-Y402 WeakPolarHBondContact CG-OH 3.49Å; E382-Y402 WeakPolarHBondContact OE1-CE1 3.31Å; E382-Y402 VanDerWaalsContact OE1-CZ 3.28Å; E382-Y402 PolarHBondContact OE1-OH 3.22Å; C398-Y402 PolarHBondContact O-N 2.98Å; L399-Y402 WeakPolarHBondContact O-CB 3.17Å; L399-Y402 PolarHBondContact O-N 3.16Å; L400-Y402 PolarHBondContact O-N 3.02Å; Y402-L404 VanDerWaalsContact C-N 3.33Å; Y402-L404 PolarHBondContact O-N 3.42Å; Y402-D405 PolarHBondContact O-N 3.35Å
403	F	95	Very high	96.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-30.7	-174.7	-70.9	-70.1	0	0	0	113.5	R61 I253 I378 L381 L399 L400 L424 C431	R61-F403 PolarHBondContact NH1-O 3.42Å; I253-F403 HydrophobicContact CD1-CD1 4.41Å; I253-F403 HydrophobicContact CD1-CE1 3.51Å; I253-F403 HydrophobicContact CD1-CE2 4.16Å; I253-F403 HydrophobicContact CD1-CZ 3.38Å; I378-F403 HydrophobicContact CD1-CE2 4.35Å; L381-F403 HydrophobicContact CB-CZ 3.98Å; L381-F403 HydrophobicContact CD1-CE2 3.77Å; L381-F403 HydrophobicContact CD1-CZ 3.87Å; L399-F403 WeakPolarHBondContact O-CD2 3.39Å; L399-F403 PolarHBondContact O-N 3.46Å; L400-F403 PolarHBondContact O-N 2.81Å; F403-L424 HydrophobicContact CB-CD1 3.92Å; F403-L424 HydrophobicContact CD2-CD1 3.54Å; F403-L424 HydrophobicContact CE2-CD1 4.28Å; F403-L424 HydrophobicContact CG-CD1 3.79Å; F403-C431 HydrophobicContact CB-CB 4.38Å; F403-C431 WeakPolarHBondContact O-CB 3.46Å
404	L	95	Very high	96.5	Very high	47 Å²	47	29 Å²	29	25%	0.246	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.9	-177.3	-53	-174.3	0	0	0	114.2	L400 Y402 K406 M414 C431 V433	L400-L404 HydrophobicContact CD2-CD1 4.43Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.03Å; Y402-L404 VanDerWaalsContact C-N 3.33Å; Y402-L404 PolarHBondContact O-N 3.42Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 HydrophobicContact CB-CG 4.06Å; L404-K406 PolarHBondContact O-N 3.42Å; L404-M414 HydrophobicContact CD1-CE 3.98Å; L404-C431 HydrophobicContact CD2-CB 4.04Å; L404-V433 HydrophobicContact CD1-CG2 3.94Å; L404-V433 HydrophobicContact CD2-CG2 3.24Å; L404-V433 HydrophobicContact CG-CG2 4.19Å
405	D	95.6	Very high	96.4	Very high	104 Å²	104	35.8 Å²	35.8	56%	0.556	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	50.7	177.7	-163.6	30.9	0	0	0	111.9	R61 A401 Y402	R61-D405 HydrophobicContact CG-CB 4.15Å; A401-D405 WeakPolarHBondContact O-CA 3.31Å; A401-D405 PolarHBondContact O-N 3.12Å; Y402-D405 PolarHBondContact O-N 3.35Å
406	K	95.9	Very high	96.3	Very high	96 Å²	96	35.9 Å²	35.9	42%	0.417	19%	0.193	S	C	.	.			trans	-97.1	133.5	178.4	-58.5	-57.4	-177.7	-175.2	0	110.6	A401 L404 M414	A401-K406 HydrophobicContact CB-CB 3.98Å; A401-K406 PolarHBondContact O-N 3.19Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 HydrophobicContact CB-CG 4.06Å; L404-K406 PolarHBondContact O-N 3.42Å; K406-M414 HydrophobicContact CB-SD 4Å; K406-M414 HydrophobicContact CG-CE 4.28Å; K406-M414 HydrophobicContact CG-SD 3.83Å
407	G	93.9	Very high	96.2	Very high	45 Å²	45	38.1 Å²	38.1	46%	0.464	21%	0.208	S	C	.	.			trans	-71.5	168	179.1	0	0	0	0	0	113.4	D409 D410 L411	G407-D409 PolarHBondContact O-N 2.79Å; G407-D410 PolarHBondContact O-N 2.84Å; G407-D410 VanDerWaalsContact O-N 3.14Å; G407-L411 WeakPolarHBondContact O-CB 3.48Å; G407-L411 PolarHBondContact O-N 2.84Å
408	A	92.8	Very high	96.2	Very high	36 Å²	36	38.5 Å²	38.5	30%	0.298	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.4	-179.4	0	0	0	0	0	113.7	Y357 P412	Y357-A408 WeakPolarHBondContact CB-O 3.38Å; Y357-A408 HydrophobicContact CD1-CB 3.7Å; Y357-A408 HydrophobicContact CD2-CB 3.96Å; Y357-A408 WeakPolarHBondContact CD2-O 3.14Å; Y357-A408 HydrophobicContact CE1-CB 3.71Å; Y357-A408 HydrophobicContact CE2-CB 4.01Å; Y357-A408 HydrophobicContact CG-CB 3.81Å; A408-P412 WeakPolarHBondContact O-CD 3.27Å
409	D	92.3	Very high	96.2	Very high	115 Å²	115	38.5 Å²	38.5	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.1	-179.8	-66.3	-21.1	0	0	0	112.4	G407 Y413 R449	G407-D409 PolarHBondContact O-N 2.79Å; D409-Y413 VanDerWaalsContact O-CD2 3.31Å; D409-Y413 WeakPolarHBondContact O-CD2 3.5Å; D409-R449 PolarHBondContact O-NH2 3.3Å
410	D	95.1	Very high	96.2	Very high	89 Å²	89	39 Å²	39	48%	0.476	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-31.6	-175	-69	-28.5	0	0	0	112.4	G407 Y413 M414	G407-D410 PolarHBondContact O-N 2.84Å; G407-D410 VanDerWaalsContact O-N 3.14Å; D410-Y413 CarbonylContact O-C 3.55Å; D410-Y413 WeakPolarHBondContact O-CA 3.46Å; D410-Y413 PolarHBondContact O-N 3.23Å; D410-M414 PolarHBondContact O-N 3.35Å
411	L	96.6	Very high	96.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-49.4	-50.6	-174.8	176.2	169.3	0	0	0	113	Y357 Y367 V371 R397 A401 G407 Y413 M414	Y357-L411 HydrophobicContact CD2-CD2 4.42Å; Y357-L411 HydrophobicContact CE2-CD1 4.12Å; Y357-L411 HydrophobicContact CE2-CD2 4.48Å; Y367-L411 HydrophobicContact CD1-CD2 3.34Å; Y367-L411 HydrophobicContact CE1-CD2 3.92Å; Y367-L411 HydrophobicContact CG-CD2 4.1Å; V371-L411 HydrophobicContact CG2-CD1 4.07Å; R397-L411 WeakPolarHBondContact CB-O 3.37Å; A401-L411 HydrophobicContact CB-CB 3.79Å; A401-L411 HydrophobicContact CB-CD1 3.49Å; A401-L411 VanDerWaalsContact CB-CD1 3.49Å; A401-L411 HydrophobicContact CB-CG 3.47Å; A401-L411 VanDerWaalsContact CB-CG 3.47Å; G407-L411 WeakPolarHBondContact O-CB 3.48Å; G407-L411 PolarHBondContact O-N 2.84Å; L411-Y413 PolarHBondContact O-N 3.01Å; L411-M414 PolarHBondContact O-N 2.74Å
412	P	97.9	Very high	96.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.6	-8.1	-179.3	-23.2	35.2	0	0	0	115.5	K356 Y357 Y367 R397 A408	K356-P412 HydrophobicContact CB-CB 4.14Å; K356-P412 HydrophobicContact CB-CG 4.48Å; K356-P412 HydrophobicContact CD-CB 3.73Å; K356-P412 HydrophobicContact CG-CB 3.81Å; K356-P412 PolarHBondContact NZ-O 3.36Å; Y357-P412 HydrophobicContact CD2-CG 4.13Å; Y367-P412 HydrophobicContact CD1-CB 4.5Å; Y367-P412 HydrophobicContact CD1-CG 4.41Å; Y367-P412 HydrophobicContact CD2-CB 3.98Å; Y367-P412 HydrophobicContact CD2-CG 4.05Å; Y367-P412 HydrophobicContact CE1-CB 4.32Å; Y367-P412 HydrophobicContact CE2-CB 3.81Å; Y367-P412 HydrophobicContact CE2-CG 4.39Å; Y367-P412 HydrophobicContact CG-CB 4.32Å; Y367-P412 HydrophobicContact CG-CG 4.06Å; R397-P412 VanDerWaalsContact CZ-O 3.24Å; R397-P412 PolarHBondContact NH1-O 2.78Å; A408-P412 WeakPolarHBondContact O-CD 3.27Å
413	Y	97	Very high	96.3	Very high	35 Å²	35	41.1 Å²	41.1	14%	0.137	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-118.3	7	-175.4	-58	-78.7	0	0	0	113	K356 D409 D410 L411 H446 R449	K356-Y413 HydrophobicContact CB-CE2 4.25Å; K356-Y413 WeakPolarHBondContact CB-OH 3.18Å; K356-Y413 HydrophobicContact CD-CD1 4.31Å; K356-Y413 HydrophobicContact CD-CE1 3.56Å; K356-Y413 HydrophobicContact CD-CE2 4.12Å; K356-Y413 VanDerWaalsContact CD-CZ 3.47Å; K356-Y413 WeakPolarHBondContact CD-OH 3.46Å; D409-Y413 VanDerWaalsContact O-CD2 3.31Å; D409-Y413 WeakPolarHBondContact O-CD2 3.5Å; D410-Y413 CarbonylContact O-C 3.55Å; D410-Y413 WeakPolarHBondContact O-CA 3.46Å; D410-Y413 PolarHBondContact O-N 3.23Å; L411-Y413 PolarHBondContact O-N 3.01Å; Y413-H446 PolarHBondContact O-CE1 2.99Å; Y413-H446 VanDerWaalsContact O-CE1 3.26Å; Y413-R449 HydrophobicContact CD1-CB 3.91Å; Y413-R449 HydrophobicContact CE1-CB 3.7Å; Y413-R449 HydrophobicContact CE1-CG 4.01Å; Y413-R449 HydrophobicContact CE2-CG 4.43Å; Y413-R449 HydrophobicContact CG-CB 4.48Å
414	M	96.3	Very high	96.3	Very high	25 Å²	25	41 Å²	41	12%	0.123	22%	0.222	C	C	.	.			trans	-63.3	142.1	172.8	-66.8	-176.9	58.9	0	0	111.3	R397 L400 A401 L404 K406 D410 L411	R397-M414 HydrophobicContact CB-CB 4.45Å; R397-M414 HydrophobicContact CG-CB 4.03Å; R397-M414 PolarHBondContact NE-O 2.69Å; L400-M414 HydrophobicContact CB-CE 3.34Å; L400-M414 HydrophobicContact CB-SD 4.32Å; L400-M414 HydrophobicContact CD1-CE 4.22Å; L400-M414 HydrophobicContact CG-CE 4.38Å; A401-M414 HydrophobicContact CB-SD 3.82Å; L404-M414 HydrophobicContact CD1-CE 3.98Å; K406-M414 HydrophobicContact CB-SD 4Å; K406-M414 HydrophobicContact CG-CE 4.28Å; K406-M414 HydrophobicContact CG-SD 3.83Å; D410-M414 PolarHBondContact O-N 3.35Å; L411-M414 PolarHBondContact O-N 2.74Å
415	K	96	Very high	96.1	Very high	145 Å²	145	40.4 Å²	40.4	63%	0.63	22%	0.219	S	C	*	.			trans	-85.1	116.7	-179.8	-69.3	-174.2	178.1	-173.8	0	109.9
416	C	96.9	Very high	95.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	20%	0.2	C	C	.	.			trans	-129.9	74.7	177.1	-53.8	0	0	0	0	107.9	R257 M396 R397 L400	R257-C416 WeakPolarHBondContact CD-O 3.32Å; R257-C416 PolarHBondContact NH1-O 3.23Å; M396-C416 HydrophobicContact CB-CB 4.38Å; M396-C416 HydrophobicContact CE-CB 4.46Å; M396-C416 HydrophobicContact CG-CB 4.16Å; M396-C416 HydrophobicContact SD-CB 3.81Å; R397-C416 VanDerWaalsContact CG-SG 3.57Å; L400-C416 WeakPolarHBondContact CD1-SG 3.35Å
417	P	97.8	Very high	94.8	Very high	48 Å²	48	35.3 Å²	35.3	31%	0.312	20%	0.201	S	C	.	.			trans	-62.7	155.9	-176.5	26.7	-33.5	0	0	0	111.4	T420 M435	P417-T420 HydrophobicContact CG-CG2 4.35Å; P417-M435 HydrophobicContact CG-CE 4.27Å
418	L	98.5	Very high	93.4	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.052	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	158.1	168.2	-77	170.1	0	0	0	110	R257 H258 E260 N264 T420 A442 V443 T445	R257-L418 HydrophobicContact CB-CD2 4.14Å; R257-L418 VanDerWaalsContact CZ-CD2 3.45Å; H258-L418 WeakPolarHBondContact O-CD2 3.39Å; E260-L418 HydrophobicContact CB-CD1 4.17Å; E260-L418 HydrophobicContact CG-CD1 4.25Å; N264-L418 HydrophobicContact CB-CD1 4.38Å; L418-T420 PolarHBondContact O-N 2.77Å; L418-T420 VanDerWaalsContact O-N 3.09Å; L418-T420 PolarHBondContact O-OG1 2.93Å; L418-T420 VanDerWaalsContact O-OG1 3.14Å; L418-A442 HydrophobicContact CB-CB 3.52Å; L418-A442 HydrophobicContact CD1-CB 3.87Å; L418-A442 HydrophobicContact CG-CB 4.34Å; L418-V443 HydrophobicContact CD1-CG2 4.26Å; L418-T445 HydrophobicContact CD1-CG2 4.35Å
419	H	98.4	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.6	171.8	-55.4	176.1	0	0	0	115.8	E260 F282 Y437 L438 V440 E441	E260-H419 PolarHBondContact N-NE2 3.49Å; F282-H419 HydrophobicContact CB-CB 4.43Å; F282-H419 WeakPolarHBondContact CB-CD2 3.14Å; F282-H419 WeakPolarHBondContact CB-NE2 3.17Å; F282-H419 AromaticContact CD1-CD2 3.77Å; F282-H419 VanDerWaalsContact CD2-CA 3.41Å; F282-H419 HydrophobicContact CD2-CB 3.54Å; F282-H419 AromaticContact CD2-CD2 3.72Å; F282-H419 AromaticContact CD2-CG 3.7Å; F282-H419 HydrophobicContact CE2-CB 4.05Å; F282-H419 HydrophobicContact CG-CB 4.09Å; F282-H419 AromaticContact CG-CD2 3.3Å; F282-H419 WeakPolarHBondContact CG-CD2 3.24Å; F282-H419 AromaticContact CG-CG 3.7Å; F282-H419 AromaticContact CG-NE2 3.9Å; H419-Y437 HydrophobicContact CB-CE2 4.4Å; H419-L438 PolarHBondContact O-N 3.32Å; H419-L438 VanDerWaalsContact O-N 3.16Å; H419-V440 WeakPolarHBondContact CB-O 3.46Å; H419-V440 PolarHBondContact ND1-O 2.94Å; H419-E441 PolarHBondContact CE1-O 3.14Å; H419-E441 VanDerWaalsContact CE1-O 3.3Å; H419-E441 PolarHBondContact ND1-O 3.09Å
420	T	98.6	Very high	91.9	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.3	179.6	-50.2	0	0	0	0	109.6	P417 L418 L422 M435 F436	P417-T420 HydrophobicContact CG-CG2 4.35Å; L418-T420 PolarHBondContact O-N 2.77Å; L418-T420 VanDerWaalsContact O-N 3.09Å; L418-T420 PolarHBondContact O-OG1 2.93Å; L418-T420 VanDerWaalsContact O-OG1 3.14Å; T420-L422 HydrophobicContact CG2-CD1 3.96Å; T420-M435 HydrophobicContact CG2-CB 4.28Å; T420-M435 HydrophobicContact CG2-CE 3.95Å; T420-F436 CarbonylContact C-O 3.58Å; T420-F436 VanDerWaalsContact CA-O 3.31Å; T420-F436 WeakPolarHBondContact CA-O 3.5Å
421	V	98.3	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.2	173.8	-177.8	0	0	0	0	108.8	Y254 C256 L286 F289 M435 F436 L438	Y254-V421 HydrophobicContact CD1-CG1 4.03Å; C256-V421 HydrophobicContact CB-CG2 4.21Å; L286-V421 HydrophobicContact CD1-CG2 3.58Å; F289-V421 HydrophobicContact CD1-CG2 4.49Å; F289-V421 HydrophobicContact CE1-CB 4.46Å; F289-V421 HydrophobicContact CE1-CG1 4Å; F289-V421 HydrophobicContact CE1-CG2 4.49Å; F289-V421 HydrophobicContact CZ-CG1 4.28Å; V421-M435 WeakPolarHBondContact O-CA 3.21Å; V421-F436 HydrophobicContact CB-CB 4.34Å; V421-F436 PolarHBondContact N-O 3.15Å; V421-F436 PolarHBondContact O-N 3.05Å; V421-L438 HydrophobicContact CG2-CD1 3.98Å; V421-L438 HydrophobicContact CG2-CD2 4.37Å; V421-L438 HydrophobicContact CG2-CG 4.27Å
422	L	98	Very high	91.4	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.2	172.7	-83.3	63.2	0	0	0	108.4	Y254 L255 M396 L400 T420 V433 E434 M435	Y254-L422 CarbonylContact C-O 3.54Å; Y254-L422 WeakPolarHBondContact CA-O 3.41Å; L255-L422 HydrophobicContact CB-CB 4.47Å; L255-L422 PolarHBondContact N-O 3.15Å; L255-L422 PolarHBondContact O-N 3.15Å; M396-L422 HydrophobicContact CE-CB 4.11Å; M396-L422 HydrophobicContact CE-CD1 3.72Å; M396-L422 HydrophobicContact CE-CD2 3.79Å; M396-L422 HydrophobicContact CE-CG 4.07Å; L400-L422 HydrophobicContact CD1-CD2 3.66Å; L400-L422 HydrophobicContact CD2-CD2 3.63Å; L400-L422 HydrophobicContact CG-CD2 4.28Å; T420-L422 HydrophobicContact CG2-CD1 3.96Å; L422-V433 HydrophobicContact CD2-CG1 4.34Å; L422-V433 HydrophobicContact CG-CG1 4.3Å; L422-E434 CarbonylContact C-O 3.28Å; L422-E434 WeakPolarHBondContact CA-O 3.28Å; L422-M435 HydrophobicContact CD1-CE 4.18Å; L422-M435 HydrophobicContact CD1-CG 4.26Å; L422-M435 HydrophobicContact CG-CG 4.1Å
423	K	96.6	Very high	91.3	Very high	44 Å²	44	37.5 Å²	37.5	19%	0.191	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.9	170.1	-178.3	-175.8	179.8	-179.7	0	109.1	S252 Y254 V433 E434 F436	S252-K423 VanDerWaalsContact OG-CE 3.3Å; S252-K423 WeakPolarHBondContact OG-CE 3.29Å; Y254-K423 HydrophobicContact CD1-CB 4.08Å; Y254-K423 HydrophobicContact CD1-CG 4.19Å; Y254-K423 HydrophobicContact CE1-CB 3.99Å; Y254-K423 HydrophobicContact CE1-CD 3.91Å; Y254-K423 HydrophobicContact CE1-CG 3.72Å; K423-V433 WeakPolarHBondContact O-CA 3.34Å; K423-E434 HydrophobicContact CB-CB 4.3Å; K423-E434 PolarHBondContact N-O 3.31Å; K423-E434 PolarHBondContact O-N 3Å; K423-F436 HydrophobicContact CB-CD2 4.41Å; K423-F436 HydrophobicContact CB-CE2 3.74Å; K423-F436 HydrophobicContact CD-CE2 4.3Å
424	L	95.1	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.5	176.1	-59.4	-176	0	0	0	108.6	S252 I253 L255 L400 F403 C431 K432 V433	S252-L424 WeakPolarHBondContact CA-O 3.41Å; I253-L424 HydrophobicContact CB-CB 4.15Å; I253-L424 PolarHBondContact N-O 2.87Å; I253-L424 WeakPolarHBondContact O-CB 3.42Å; I253-L424 PolarHBondContact O-N 3.44Å; L255-L424 HydrophobicContact CD1-CD1 3.58Å; L255-L424 HydrophobicContact CD1-CG 4.49Å; L255-L424 HydrophobicContact CG-CD1 4Å; L400-L424 HydrophobicContact CD2-CD1 4.15Å; L400-L424 HydrophobicContact CD2-CD2 3.95Å; F403-L424 HydrophobicContact CB-CD1 3.92Å; F403-L424 HydrophobicContact CD2-CD1 3.54Å; F403-L424 HydrophobicContact CE2-CD1 4.28Å; F403-L424 HydrophobicContact CG-CD1 3.79Å; L424-C431 VanDerWaalsContact CB-SG 3.59Å; L424-K432 WeakPolarHBondContact CA-O 3.38Å; L424-V433 HydrophobicContact CD2-CB 4.31Å; L424-V433 HydrophobicContact CD2-CG1 4.06Å; L424-V433 HydrophobicContact CD2-CG2 3.71Å
425	T	90.8	Very high	91.3	Very high	33 Å²	33	43 Å²	43	20%	0.202	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	103.1	172	-55.2	0	0	0	0	108.4	V427 K432	T425-V427 PolarHBondContact O-N 2.62Å; T425-K432 PolarHBondContact N-O 3Å; T425-K432 PolarHBondContact O-N 2.85Å
426	P	84.1	Confident	91.3	Very high	24 Å²	24	38 Å²	38	16%	0.156	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	132.4	174.8	-24	34.9	0	0	0	110.5	H251	H251-P426 WeakPolarHBondContact O-CD 3.42Å
427	V	79.6	Confident	91.4	Very high	70 Å²	70	43.6 Å²	43.6	42%	0.424	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.9	175.6	-66	0	0	0	0	109.1	T425 Y429 G430	T425-V427 PolarHBondContact O-N 2.62Å; V427-Y429 PolarHBondContact O-N 3.45Å; V427-G430 PolarHBondContact N-O 3.29Å; V427-G430 PolarHBondContact O-N 2.9Å
428	A	65.9	Low	91.3	Very high	13 Å²	13	42.3 Å²	42.3	11%	0.107	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-28.7	-172.6	0	0	0	0	0	116.4	V172	V172-A428 HydrophobicContact CG2-CB 3.65Å
429	Y	71.2	Confident	91.2	Very high	109 Å²	109	48.6 Å²	48.6	43%	0.427	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	14.7	-177.5	-57.3	-53.2	0	0	0	115.1	T53 K57 V172 V427	T53-Y429 HydrophobicContact CG2-CE1 3.84Å; K57-Y429 HydrophobicContact CD-CD1 3.71Å; K57-Y429 HydrophobicContact CD-CE1 4.43Å; V172-Y429 HydrophobicContact CG1-CE1 4.29Å; V172-Y429 HydrophobicContact CG1-CE2 3.92Å; V172-Y429 VanDerWaalsContact CG1-CZ 3.47Å; V172-Y429 WeakPolarHBondContact CG1-OH 3.48Å; V427-Y429 PolarHBondContact O-N 3.45Å
430	G	81.5	Confident	91.2	Very high	28 Å²	28	49.5 Å²	49.5	29%	0.289	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-145.3	-177.7	0	0	0	0	0	112.5	V427	V427-G430 PolarHBondContact N-O 3.29Å; V427-G430 PolarHBondContact O-N 2.9Å
431	C	88.9	Confident	91.2	Very high	23 Å²	23	55.7 Å²	55.7	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.3	178.1	-169.2	0	0	0	0	109.5	F403 L404 L424	F403-C431 HydrophobicContact CB-CB 4.38Å; F403-C431 WeakPolarHBondContact O-CB 3.46Å; L404-C431 HydrophobicContact CD2-CB 4.04Å; L424-C431 VanDerWaalsContact CB-SG 3.59Å
432	K	91.9	Very high	91.1	Very high	108 Å²	108	57.5 Å²	57.5	47%	0.47	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.2	167.9	-171	-171.4	174.8	-152.4	0	108.2	L424 T425 E434	L424-K432 WeakPolarHBondContact CA-O 3.38Å; T425-K432 PolarHBondContact N-O 3Å; T425-K432 PolarHBondContact O-N 2.85Å; K432-E434 HydrophobicContact CD-CG 4.4Å; K432-E434 WeakPolarHBondContact CE-OE1 3.39Å; K432-E434 IonicContact NZ-OE1 3.26Å; K432-E434 PolarHBondContact NZ-OE1 2.93Å; K432-E434 IonicContact NZ-OE2 2.77Å; K432-E434 PolarHBondContact NZ-OE2 3.32Å
433	V	95.3	Very high	91.1	Very high	54 Å²	54	59.2 Å²	59.2	33%	0.327	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	176	-171.1	0	0	0	0	109.1	L404 L422 K423 L424 M435	L404-V433 HydrophobicContact CD1-CG2 3.94Å; L404-V433 HydrophobicContact CD2-CG2 3.24Å; L404-V433 HydrophobicContact CG-CG2 4.19Å; L422-V433 HydrophobicContact CD2-CG1 4.34Å; L422-V433 HydrophobicContact CG-CG1 4.3Å; K423-V433 WeakPolarHBondContact O-CA 3.34Å; L424-V433 HydrophobicContact CD2-CB 4.31Å; L424-V433 HydrophobicContact CD2-CG1 4.06Å; L424-V433 HydrophobicContact CD2-CG2 3.71Å; V433-M435 HydrophobicContact CG1-CG 4.46Å
434	E	96.4	Very high	91.2	Very high	60 Å²	60	63.4 Å²	63.4	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.6	172.7	-61.2	176.3	-105.6	0	0	108.1	L422 K423 K432 F436	L422-E434 CarbonylContact C-O 3.28Å; L422-E434 WeakPolarHBondContact CA-O 3.28Å; K423-E434 HydrophobicContact CB-CB 4.3Å; K423-E434 PolarHBondContact N-O 3.31Å; K423-E434 PolarHBondContact O-N 3Å; K432-E434 HydrophobicContact CD-CG 4.4Å; K432-E434 WeakPolarHBondContact CE-OE1 3.39Å; K432-E434 IonicContact NZ-OE1 3.26Å; K432-E434 PolarHBondContact NZ-OE1 2.93Å; K432-E434 IonicContact NZ-OE2 2.77Å; K432-E434 PolarHBondContact NZ-OE2 3.32Å; E434-F436 HydrophobicContact CB-CE2 3.69Å; E434-F436 HydrophobicContact CB-CZ 3.95Å
435	M	96.8	Very high	91.2	Very high	116 Å²	116	64.9 Å²	64.9	57%	0.571	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	-175.5	-65.1	-177	67.5	0	0	109.9	P417 T420 V421 L422 V433	P417-M435 HydrophobicContact CG-CE 4.27Å; T420-M435 HydrophobicContact CG2-CB 4.28Å; T420-M435 HydrophobicContact CG2-CE 3.95Å; V421-M435 WeakPolarHBondContact O-CA 3.21Å; L422-M435 HydrophobicContact CD1-CE 4.18Å; L422-M435 HydrophobicContact CD1-CG 4.26Å; L422-M435 HydrophobicContact CG-CG 4.1Å; V433-M435 HydrophobicContact CG1-CG 4.46Å
436	F	97.6	Very high	91.5	Very high	40 Å²	40	64.8 Å²	64.8	18%	0.175	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.3	179.3	-56.6	-89.2	0	0	0	108.9	F289 Y293 T420 V421 K423 E434 L438	F289-F436 HydrophobicContact CE2-CB 3.82Å; F289-F436 AromaticContact CE2-CD1 3.86Å; F289-F436 HydrophobicContact CE2-CD1 3.86Å; F289-F436 HydrophobicContact CE2-CD2 4.12Å; F289-F436 HydrophobicContact CE2-CE1 4.47Å; F289-F436 AromaticContact CE2-CG 3.66Å; F289-F436 HydrophobicContact CE2-CG 3.66Å; F289-F436 HydrophobicContact CZ-CB 4.34Å; F289-F436 HydrophobicContact CZ-CD1 4.49Å; F289-F436 HydrophobicContact CZ-CD2 4Å; F289-F436 HydrophobicContact CZ-CE2 4.46Å; F289-F436 HydrophobicContact CZ-CG 4.02Å; Y293-F436 HydrophobicContact CE1-CE1 4.02Å; Y293-F436 HydrophobicContact CE1-CZ 4.29Å; Y293-F436 AromaticContact CZ-CE1 3.82Å; Y293-F436 WeakPolarHBondContact OH-CE1 3.48Å; T420-F436 CarbonylContact C-O 3.58Å; T420-F436 VanDerWaalsContact CA-O 3.31Å; T420-F436 WeakPolarHBondContact CA-O 3.5Å; V421-F436 HydrophobicContact CB-CB 4.34Å; V421-F436 PolarHBondContact N-O 3.15Å; V421-F436 PolarHBondContact O-N 3.05Å; K423-F436 HydrophobicContact CB-CD2 4.41Å; K423-F436 HydrophobicContact CB-CE2 3.74Å; K423-F436 HydrophobicContact CD-CE2 4.3Å; E434-F436 HydrophobicContact CB-CE2 3.69Å; E434-F436 HydrophobicContact CB-CZ 3.95Å; F436-L438 HydrophobicContact CB-CD2 4.29Å
437	Y	97.6	Very high	91.9	Very high	119 Å²	119	66.8 Å²	66.8	47%	0.467	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.4	171.8	171.4	-118.2	0	0	0	109.2	H419 N439 V440 E441	H419-Y437 HydrophobicContact CB-CE2 4.4Å; Y437-N439 PolarHBondContact O-N 3.13Å; Y437-N439 VanDerWaalsContact O-N 3.16Å; Y437-V440 WeakPolarHBondContact CE2-O 3.44Å; Y437-V440 PolarHBondContact OH-O 3.24Å; Y437-E441 PolarHBondContact OH-N 3.3Å
438	L	96.9	Very high	92.6	Very high	22 Å²	22	68.3 Å²	68.3	12%	0.115	35%	0.348	C	S	.	.			trans	-87.7	25.5	-170.9	-54	-166.9	0	0	0	113.8	F282 A285 L286 F289 H419 V421 F436 V440	F282-L438 HydrophobicContact CD2-CB 4.29Å; F282-L438 HydrophobicContact CD2-CD1 4.06Å; F282-L438 HydrophobicContact CD2-CG 4.48Å; F282-L438 HydrophobicContact CE2-CB 4.37Å; F282-L438 HydrophobicContact CE2-CD1 3.58Å; F282-L438 HydrophobicContact CE2-CG 4.07Å; F282-L438 HydrophobicContact CZ-CD1 4.48Å; A285-L438 HydrophobicContact CB-CB 4.02Å; A285-L438 HydrophobicContact CB-CD1 4.42Å; L286-L438 HydrophobicContact CB-CD1 3.97Å; L286-L438 HydrophobicContact CD1-CD1 4Å; F289-L438 HydrophobicContact CB-CD1 4.25Å; F289-L438 HydrophobicContact CB-CD2 4.12Å; F289-L438 HydrophobicContact CD2-CD2 3.83Å; F289-L438 HydrophobicContact CG-CD2 4.07Å; H419-L438 PolarHBondContact O-N 3.32Å; H419-L438 VanDerWaalsContact O-N 3.16Å; V421-L438 HydrophobicContact CG2-CD1 3.98Å; V421-L438 HydrophobicContact CG2-CD2 4.37Å; V421-L438 HydrophobicContact CG2-CG 4.27Å; F436-L438 HydrophobicContact CB-CD2 4.29Å; L438-V440 VanDerWaalsContact C-N 3.26Å; L438-V440 PolarHBondContact O-N 3.01Å; L438-V440 VanDerWaalsContact O-N 3.15Å
439	N	96.6	Very high	93.7	Very high	142 Å²	142	73.7 Å²	73.7	76%	0.759	37%	0.366	S	S	*	.	S	Bend	trans	55.3	33	174.2	-159	34.1	0	0	0	115.7	Y437	Y437-N439 PolarHBondContact O-N 3.13Å; Y437-N439 VanDerWaalsContact O-N 3.16Å
440	V	97.8	Very high	94.3	Very high	19 Å²	19	71 Å²	71	12%	0.115	36%	0.361	C	S	.	.			trans	-121.3	119.4	172.1	-176.6	0	0	0	0	108.6	R278 K281 F282 A285 H419 Y437 L438	R278-V440 HydrophobicContact CB-CG1 4.32Å; R278-V440 WeakPolarHBondContact O-CG1 3.46Å; K281-V440 HydrophobicContact CB-CG1 3.96Å; K281-V440 HydrophobicContact CB-CG2 4.27Å; F282-V440 HydrophobicContact CB-CB 4.39Å; F282-V440 HydrophobicContact CB-CG1 4.39Å; A285-V440 HydrophobicContact CB-CG2 4.23Å; H419-V440 WeakPolarHBondContact CB-O 3.46Å; H419-V440 PolarHBondContact ND1-O 2.94Å; Y437-V440 WeakPolarHBondContact CE2-O 3.44Å; Y437-V440 PolarHBondContact OH-O 3.24Å; L438-V440 VanDerWaalsContact C-N 3.26Å; L438-V440 PolarHBondContact O-N 3.01Å; L438-V440 VanDerWaalsContact O-N 3.15Å
441	E	97.8	Very high	93.7	Very high	140 Å²	140	78.5 Å²	78.5	65%	0.654	39%	0.394	S	S	*	.			trans	-61.2	149.5	179.3	-64.9	-173.9	170	0	0	112.4	R278 H419 Y437	R278-E441 WeakPolarHBondContact CD-O 3.44Å; H419-E441 PolarHBondContact CE1-O 3.14Å; H419-E441 VanDerWaalsContact CE1-O 3.3Å; H419-E441 PolarHBondContact ND1-O 3.09Å; Y437-E441 PolarHBondContact OH-N 3.3Å
442	A	97.8	Very high	92.2	Very high	37 Å²	37	80.2 Å²	80.2	31%	0.306	42%	0.416	S	S	.	.			trans	-149.4	157.3	174	0	0	0	0	0	110.9	E260 L418	E260-A442 HydrophobicContact CB-CB 4.46Å; E260-A442 WeakPolarHBondContact OE1-CA 3.38Å; L418-A442 HydrophobicContact CB-CB 3.52Å; L418-A442 HydrophobicContact CD1-CB 3.87Å; L418-A442 HydrophobicContact CG-CB 4.34Å
443	V	97.6	Very high	89.9	Confident	43 Å²	43	85.3 Å²	85.3	26%	0.261	44%	0.438	S	S	.	.			trans	-62.4	150.7	168.3	-62.2	0	0	0	0	111.8	E260 N264 L418 T445	E260-V443 HydrophobicContact CG-CG2 4.42Å; E260-V443 PolarHBondContact OE1-N 2.92Å; N264-V443 HydrophobicContact CB-CG2 3.78Å; N264-V443 WeakPolarHBondContact O-CG2 3.4Å; L418-V443 HydrophobicContact CD1-CG2 4.26Å; V443-T445 HydrophobicContact CG2-CG2 4.2Å
444	N	97.6	Very high	87.7	Confident	132 Å²	132	86.1 Å²	86.1	71%	0.706	44%	0.443	S	S	*	.			trans	-87	119.1	172.7	-177.2	16.1	0	0	0	110.6	H446	N444-H446 WeakPolarHBondContact OD1-CB 3.48Å; N444-H446 PolarHBondContact OD1-N 2.97Å
445	T	96.3	Very high	85	Confident	31 Å²	31	87.8 Å²	87.8	19%	0.19	46%	0.459	C	S	.	.			trans	-102.5	5.2	177.1	59.6	0	0	0	0	113.2	R257 N264 Q393 L418 V443	R257-T445 PolarHBondContact NH1-OG1 3.42Å; R257-T445 PolarHBondContact NH2-OG1 2.87Å; N264-T445 HydrophobicContact CB-CG2 4.26Å; Q393-T445 PolarHBondContact NE2-O 3.07Å; Q393-T445 VanDerWaalsContact NE2-O 3.12Å; Q393-T445 PolarHBondContact OE1-O 3.34Å; Q393-T445 PolarHBondContact OE1-OG1 3.44Å; L418-T445 HydrophobicContact CD1-CG2 4.35Å; V443-T445 HydrophobicContact CG2-CG2 4.2Å
446	H	96.3	Very high	82.6	Confident	31 Å²	31	94.1 Å²	94.1	14%	0.144	48%	0.477	C	S	.	.			trans	-79.5	128.3	177.9	-168.1	84.6	0	0	0	110.7	R397 Y413 N444 D448	R397-H446 PolarHBondContact NH2-ND1 3.26Å; Y413-H446 PolarHBondContact O-CE1 2.99Å; Y413-H446 VanDerWaalsContact O-CE1 3.26Å; N444-H446 WeakPolarHBondContact OD1-CB 3.48Å; N444-H446 PolarHBondContact OD1-N 2.97Å; H446-D448 IonicContact CD2-OD1 3.56Å; H446-D448 PolarHBondContact CD2-OD1 3.14Å; H446-D448 VanDerWaalsContact CD2-OD1 3.32Å; H446-D448 IonicContact NE2-OD1 2.69Å; H446-D448 PolarHBondContact NE2-OD1 2.97Å
447	R	93.6	Very high	79.8	Confident	66 Å²	66	99.7 Å²	99.7	25%	0.249	51%	0.508	C	S	.	.			trans	-115.4	117	169.6	-175.9	173.8	175.4	-86.4	9.2	108.8	F349 D353	F349-R447 VanDerWaalsContact CZ-NH2 3.26Å; D353-R447 IonicContact OD1-CZ 3.7Å; D353-R447 IonicContact OD1-NH1 2.69Å; D353-R447 PolarHBondContact OD1-NH1 2.95Å; D353-R447 IonicContact OD1-NH2 2.92Å; D353-R447 PolarHBondContact OD1-NH2 3.02Å; D353-R447 IonicContact OD2-CZ 3.7Å; D353-R447 IonicContact OD2-NH1 3.65Å; D353-R447 PolarHBondContact OD2-NH1 2.69Å; D353-R447 IonicContact OD2-NH2 3.38Å; D353-R447 PolarHBondContact OD2-NH2 3.41Å
448	D	92.7	Very high	77	Confident	102 Å²	102	97.1 Å²	97.1	55%	0.545	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-63.2	163.9	179.6	-66.8	-53.1	0	0	0	111.6	H446	H446-D448 IonicContact CD2-OD1 3.56Å; H446-D448 PolarHBondContact CD2-OD1 3.14Å; H446-D448 VanDerWaalsContact CD2-OD1 3.32Å; H446-D448 IonicContact NE2-OD1 2.69Å; H446-D448 PolarHBondContact NE2-OD1 2.97Å
449	R	88.8	Confident	74.2	Confident	125 Å²	125	100.4 Å²	100.4	47%	0.472	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-64.7	129.7	172	-170.6	179.2	-75	179.1	-1.6	108.7	D409 Y413 L451	D409-R449 PolarHBondContact O-NH2 3.3Å; Y413-R449 HydrophobicContact CD1-CB 3.91Å; Y413-R449 HydrophobicContact CE1-CB 3.7Å; Y413-R449 HydrophobicContact CE1-CG 4.01Å; Y413-R449 HydrophobicContact CE2-CG 4.43Å; Y413-R449 HydrophobicContact CG-CB 4.48Å; R449-L451 PolarHBondContact O-N 3.35Å
450	P	84.7	Confident	71.6	Confident	52 Å²	52	99.4 Å²	99.4	34%	0.338	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-56.5	132.3	177.7	-22.7	31.8	0	0	0	111.4	D353 G452	D353-P450 HydrophobicContact CB-CG 3.87Å; D353-P450 VanDerWaalsContact CG-CG 3.47Å; D353-P450 VanDerWaalsContact OD2-CG 3.28Å; D353-P450 WeakPolarHBondContact OD2-CG 3.38Å; P450-G452 PolarHBondContact O-N 3.23Å
451	L	68.2	Low	68.9	Low	187 Å²	187	105 Å²	105	98%	0.979	56%	0.56	S	S	*	*			trans	-84.3	89.7	175.4	-67.2	169.1	0	0	0	108.8	R449	R449-L451 PolarHBondContact O-N 3.35Å
452	G	57.4	Low	66.1	Low	59 Å²	59	103.4 Å²	103.4	61%	0.608	55%	0.552	S	S	*	*	S	Bend	trans	-171.5	134.9	176.5	0	0	0	0	0	113.6	P450 V454	P450-G452 PolarHBondContact O-N 3.23Å; G452-V454 PolarHBondContact O-N 3.12Å; G452-V454 VanDerWaalsContact O-N 3.08Å
453	K	44.2	Very low	63.9	Low	214 Å²	214	109 Å²	109	93%	0.93	57%	0.565	S	S	*	*			trans	-67.4	102.5	169.8	-72.8	-179.8	-179.9	177.6	0	108.3	P455	K453-P455 WeakPolarHBondContact O-CD 3.42Å
454	V	48.7	Very low	61.1	Low	71 Å²	71	117.2 Å²	117.2	43%	0.43	59%	0.592	S	S	.	*			trans	-62.2	125.6	165.7	-175.5	0	0	0	0	106.9	Q354 G452 R456	Q354-V454 HydrophobicContact CG-CB 4.36Å; Q354-V454 HydrophobicContact CG-CG1 3.69Å; Q354-V454 HydrophobicContact CG-CG2 3.83Å; G452-V454 PolarHBondContact O-N 3.12Å; G452-V454 VanDerWaalsContact O-N 3.08Å; V454-R456 PolarHBondContact O-N 3.3Å
455	P	40.8	Very low	58.3	Low	96 Å²	96	113.1 Å²	113.1	62%	0.623	57%	0.57	S	S	*	*			trans	-58	125	173.2	-18.7	30.1	0	0	0	108.7	K453 D457	K453-P455 WeakPolarHBondContact O-CD 3.42Å; P455-D457 PolarHBondContact O-N 3.21Å
456	R	46.1	Very low	55.5	Low	249 Å²	249	114.6 Å²	114.6	94%	0.94	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-5	178.2	-80.7	-175.9	172.2	-179.6	-3	113.9	V454	V454-R456 PolarHBondContact O-N 3.3Å
457	D	37.8	Very low	52.7	Low	157 Å²	157	115.8 Å²	115.8	84%	0.84	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	9.8	-169.6	-65.7	-25.4	0	0	0	115.2	P455 A459	P455-D457 PolarHBondContact O-N 3.21Å; D457-A459 PolarHBondContact O-N 3.15Å
458	S	39.8	Very low	49.8	Very low	64 Å²	64	117 Å²	117	45%	0.448	60%	0.6	S	S	.	*	S	Bend	trans	-79.4	110.4	163.8	53.2	0	0	0	0	108.5	L460	S458-L460 PolarHBondContact O-N 3.02Å
459	A	38.8	Very low	46.9	Very low	92 Å²	92	117.9 Å²	117.9	76%	0.76	61%	0.611	S	S	*	*			trans	-46.1	115.1	178.6	0	0	0	0	0	109.9	D457 I461	D457-A459 PolarHBondContact O-N 3.15Å; A459-I461 PolarHBondContact O-N 3.13Å
460	L	41.2	Very low	44.1	Very low	121 Å²	121	118.3 Å²	118.3	63%	0.634	62%	0.622	S	S	*	*			trans	-55.2	105.7	174.5	-71.6	162.9	0	0	0	107.7	S458 H462	S458-L460 PolarHBondContact O-N 3.02Å; L460-H462 PolarHBondContact O-N 3.2Å
461	I	41.7	Very low	41.5	Very low	136 Å²	136	120.9 Å²	120.9	70%	0.697	64%	0.641	S	S	*	*			trans	-67.7	101.9	172.9	-62.6	177.9	0	0	0	106.4	A459 R463	A459-I461 PolarHBondContact O-N 3.13Å; I461-R463 PolarHBondContact O-N 3.16Å
462	H	38.7	Very low	40	Very low	107 Å²	107	116 Å²	116	50%	0.495	62%	0.623	S	S	.	*			trans	-65.1	99.5	175.4	-73.1	-44.1	0	0	0	109.8	C24 L460	C24-H462 PolarHBondContact O-NE2 3.49Å; L460-H462 PolarHBondContact O-N 3.2Å
463	R	51	Low	38.7	Very low	154 Å²	154	123.3 Å²	123.3	58%	0.581	63%	0.633	S	S	*	*			trans	-80.7	127.6	155.4	-74.8	-167.3	-174.9	161.8	11.4	108	E348 I461 N465	E348-R463 IonicContact OE1-CZ 3.37Å; E348-R463 IonicContact OE1-NH1 2.99Å; E348-R463 IonicContact OE1-NH2 3.2Å; E348-R463 PolarHBondContact OE1-NH2 3.3Å; I461-R463 PolarHBondContact O-N 3.16Å; R463-N465 PolarHBondContact O-N 3.28Å
464	R	39.6	Very low	38	Very low	216 Å²	216	121.3 Å²	121.3	82%	0.815	63%	0.633	S	S	*	*			trans	-58.4	123.4	172.3	-79.7	-178.2	176.2	170.6	0.5	108.7	S466	R464-S466 VanDerWaalsContact C-N 3.3Å; R464-S466 PolarHBondContact O-N 2.8Å
465	N	39.2	Very low	37.2	Very low	46 Å²	46	125.8 Å²	125.8	25%	0.246	65%	0.649	C	S	.	*			trans	-68.6	93.3	161.5	-73	-9.5	0	0	0	106.8	R463 Y467	R463-N465 PolarHBondContact O-N 3.28Å; N465-Y467 HydrophobicContact CB-CD2 4.08Å; N465-Y467 HydrophobicContact CB-CE2 3.59Å; N465-Y467 PolarHBondContact ND2-OH 3.16Å; N465-Y467 WeakPolarHBondContact O-CD2 3.49Å; N465-Y467 PolarHBondContact O-N 2.96Å
466	S	37	Very low	36.7	Very low	61 Å²	61	127.7 Å²	127.7	43%	0.427	66%	0.659	S	S	.	*			trans	-69.6	101.8	164.3	56.6	0	0	0	0	107.3	R464 T468	R464-S466 VanDerWaalsContact C-N 3.3Å; R464-S466 PolarHBondContact O-N 2.8Å; S466-T468 PolarHBondContact O-N 3.16Å; S466-T468 VanDerWaalsContact O-N 3.1Å
467	Y	37.4	Very low	35.8	Very low	56 Å²	56	124.4 Å²	124.4	22%	0.22	65%	0.651	C	S	.	*			trans	-70.6	11.3	173.4	-71.4	-85	0	0	0	113.3	C29 W31 N465	C29-Y467 PolarHBondContact O-OH 3.19Å; W31-Y467 AromaticContact CE3-CD1 3.88Å; W31-Y467 HydrophobicContact CE3-CD1 3.88Å; W31-Y467 HydrophobicContact CE3-CG 4.29Å; N465-Y467 HydrophobicContact CB-CD2 4.08Å; N465-Y467 HydrophobicContact CB-CE2 3.59Å; N465-Y467 PolarHBondContact ND2-OH 3.16Å; N465-Y467 WeakPolarHBondContact O-CD2 3.49Å; N465-Y467 PolarHBondContact O-N 2.96Å
468	T	31.6	Very low	35.8	Very low	92 Å²	92	125.4 Å²	125.4	56%	0.564	64%	0.643	S	S	*	*	S	Bend	trans	-100.5	126.4	179.6	-21	0	0	0	0	108.3	S466 L470	S466-T468 PolarHBondContact O-N 3.16Å; S466-T468 VanDerWaalsContact O-N 3.1Å; T468-L470 PolarHBondContact O-N 2.79Å
469	P	31.9	Very low	35.2	Very low	121 Å²	121	127.4 Å²	127.4	79%	0.786	66%	0.655	S	S	*	*			trans	-64.9	96.2	162.1	27.1	-28.7	0	0	0	105.9	S471	P469-S471 PolarHBondContact O-N 3.02Å
470	L	29.9	Very low	34.9	Very low	134 Å²	134	135 Å²	135	70%	0.702	66%	0.664	S	S	*	*			trans	-66.6	101	177.6	-77.2	168.5	0	0	0	107.7	T468 S472	T468-L470 PolarHBondContact O-N 2.79Å; L470-S472 PolarHBondContact O-N 2.84Å
471	S	30.7	Very low	34.4	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	67%	0.667	S	S	*	*			trans	-70.7	111.3	155.3	42.7	0	0	0	0	107.7	P469	P469-S471 PolarHBondContact O-N 3.02Å
472	S	37.6	Very low	33.9	Very low	85 Å²	85	139.7 Å²	139.7	59%	0.594	68%	0.675	S	S	*	*	S	Bend	trans	68.6	145.8	164.1	67.9	0	0	0	0	117	L470	L470-S472 PolarHBondContact O-N 2.84Å
473	Y	28.3	Very low	33.4	Very low	212 Å²	212	140.7 Å²	140.7	83%	0.831	69%	0.694	S	S	*	*			cis	-149.1	5.2	37.8	-103.1	-85.3	0	0	0	116.1	Q475	Y473-Q475 PolarHBondContact O-N 2.78Å
474	D	30	Very low	32.5	Very low	172 Å²	172	138.6 Å²	138.6	92%	0.92	71%	0.71	S	S	*	*			trans	-95.4	77.5	179.1	-88.3	-29.1	0	0	0	111.9	V476	D474-V476 PolarHBondContact O-N 2.85Å
475	Q	31.7	Very low	32.2	Very low	165 Å²	165	131.5 Å²	131.5	77%	0.771	70%	0.704	S	S	*	*			trans	-74.2	105.6	157.8	-71.4	-172	-5.4	0	0	107.9	Y473 K477	Y473-Q475 PolarHBondContact O-N 2.78Å; Q475-K477 PolarHBondContact O-N 3.37Å
476	V	30.3	Very low	31.7	Very low	137 Å²	137	137.5 Å²	137.5	83%	0.83	74%	0.736	S	S	*	*			trans	-57.7	97.6	144	177.9	0	0	0	0	104.8	D474 R478	D474-V476 PolarHBondContact O-N 2.85Å; V476-R478 PolarHBondContact O-N 3.49Å
477	K	27.2	Very low	31.2	Very low	179 Å²	179	143 Å²	143	78%	0.778	76%	0.755	S	S	*	*			trans	-57.7	99.5	178.9	-77.2	-178.7	177.5	177.5	0	107.7	Q475 P479	Q475-K477 PolarHBondContact O-N 3.37Å; K477-P479 WeakPolarHBondContact O-CD 3.27Å
478	R	38.5	Very low	30.8	Very low	178 Å²	178	146.4 Å²	146.4	67%	0.672	78%	0.784	S	S	*	*			trans	-63.6	123.1	161.7	-71.5	-174.9	179.2	-175.1	-0.9	106.6	G331 V476 R480	G331-R478 PolarHBondContact O-NH2 3.05Å; V476-R478 PolarHBondContact O-N 3.49Å; R478-R480 PolarHBondContact O-N 2.9Å
479	P	27.8	Very low	30.6	Very low	107 Å²	107	154 Å²	154	70%	0.695	80%	0.803	S	S	*	*			trans	-58.9	127.4	172.6	-20.4	31.8	0	0	0	109.4	K477 L481	K477-P479 WeakPolarHBondContact O-CD 3.27Å; P479-L481 HydrophobicContact CB-CD1 4.43Å; P479-L481 PolarHBondContact O-N 3.38Å
480	R	32	Very low	30.4	Very low	251 Å²	251	156 Å²	156	95%	0.947	81%	0.806	S	S	*	*			trans	-71.5	81.8	168.9	-73.8	-176.5	179.1	172.8	-0.9	109.3	R478	R478-R480 PolarHBondContact O-N 2.9Å
481	L	29.9	Very low	30.3	Very low	134 Å²	134	155.4 Å²	155.4	70%	0.702	81%	0.81	S	S	*	*			trans	-140.7	101.1	166.3	-74.9	156.4	0	0	0	102.4	P479	P479-L481 HydrophobicContact CB-CD1 4.43Å; P479-L481 PolarHBondContact O-N 3.38Å
482	Y	31.1	Very low	30.2	Very low	221 Å²	221	158.8 Å²	158.8	87%	0.867	82%	0.819	S	S	*	*			cis	-151.7	123.3	48.3	-81.6	-106	0	0	0	108.9
483	S	28.7	Very low	29.9	Very low	128 Å²	128	159.3 Å²	159.3	90%	0.895	83%	0.828	S	S	*	*			trans	-109.8	129.1	150.7	-69.4	0	0	0	0	106.3
484	A	31.2	Very low	30	Very low	111 Å²	111	155.1 Å²	155.1	92%	0.917	83%	0.827	S	S	*	*			trans	-62.5	141.5	-173.8	0	0	0	0	0	112.5
485	G	34.3	Very low	29.9	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	82%	0.823	S	S	*	*			trans	122.8	81.2	162.7	0	0	0	0	0	115.1
486	N	28.1	Very low	29.9	Very low	171 Å²	171	151.5 Å²	151.5	91%	0.914	83%	0.825	S	S	*	*			trans	-169.1	139.8	141.5	-97.2	-12.2	0	0	0	110.5
487	Q	27.4	Very low	29.9	Very low	177 Å²	177	150.6 Å²	150.6	83%	0.827	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-61.2	153.3	-177.1	-78.7	-179.6	-27.2	0	0	113.4
488	P	28.8	Very low	30	Very low	128 Å²	128	146.4 Å²	146.4	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.8	123.9	-174.5	31	-31.3	0	0	0	111.6
489	W	26.4	Very low	29.5	Very low	252 Å²	252	145.4 Å²	145.4	96%	0.955	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-90.5	130.9	165.8	-85.6	78.2	0	0	0	110.4
490	L	28.8	Very low	29.5	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-63.9	153.6	178.2	-73.9	157.7	0	0	0	112.5
491	P	28	Very low	30.2	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-85.3	131.7	-173.8	32.2	-31.3	0	0	0	112.5
492	L	29.1	Very low	30	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.7	139	162.1	-82.2	165.3	0	0	0	110.3
493	A	29.8	Very low	29.7	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.7	172.6	-167.3	0	0	0	0	0	114.4
494	P	31.3	Very low	29.5	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-87.7	151.9	-153.8	35.3	-34.2	0	0	0	114.6
495	T	27.9	Very low	29.2	Very low	135 Å²	135	146.3 Å²	146.3	83%	0.828	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.3	140.8	168.8	45.7	0	0	0	0	112.2
496	P	31.8	Very low	28.8	Very low	126 Å²	126	147.2 Å²	147.2	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-99.6	137.6	161.3	29.4	-17.8	0	0	0	112.2
497	S	29.2	Very low	28.7	Very low	117 Å²	117	147 Å²	147	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.1	149.6	172.9	-69.8	0	0	0	0	112.8
498	A	29.4	Very low	28.7	Very low	91 Å²	91	144 Å²	144	75%	0.752	79%	0.793	S	S	*	*			trans	80.8	115.8	150	0	0	0	0	0	120.1
499	L	28.4	Very low	28.7	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	79%	0.786	S	S	*	*				174	118.9	112.5	-90.9	157.1	0	0	0	112.9
500	M	27.3	Very low	28.7	Very low	174 Å²	174	137.4 Å²	137.4	86%	0.857	78%	0.776	S	S	*	*			trans	62.6	153	146.8	-64.8	-65.8	147.8	0	0	122.2
501	P	47	Very low	28.6	Very low	107 Å²	107	135 Å²	135	70%	0.695	77%	0.772	S	S	*	*			trans	-107.3	151.3	-161.6	38.9	-28.4	0	0	0	113.6
502	E	25.2	Very low	28.6	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.743	78%	0.777	S	S	*	*			trans	-172	142.2	145.1	-113.1	-174	-147.2	0	0	113.7
503	R	25.5	Very low	28.4	Very low	205 Å²	205	133 Å²	133	77%	0.774	77%	0.765	S	S	*	*			trans	75.7	106.5	152.7	-65.8	179	-162.9	-148.7	-1.5	122.1
504	L	24.8	Very low	28.4	Very low	154 Å²	154	136.8 Å²	136.8	81%	0.806	77%	0.77	S	S	*	*				45.3	138	110.3	-103	128.6	0	0	0	121.5
505	Q	25.6	Very low	28.2	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	77%	0.766	S	S	*	*			trans	82.9	139.6	163.2	-63	178.1	-10.8	0	0	115.1
506	S	25.4	Very low	28.3	Very low	85 Å²	85	139 Å²	139	59%	0.594	76%	0.762	S	S	*	*			cis	174.2	153.1	-5.5	48.5	0	0	0	0	106
507	Q	26.6	Very low	28.1	Very low	166 Å²	166	139.4 Å²	139.4	78%	0.776	76%	0.757	S	S	*	*			trans	67.8	149	155.9	-67.8	-175.4	-51.5	0	0	117.1
508	D	27	Very low	28	Very low	115 Å²	115	137.5 Å²	137.5	62%	0.615	74%	0.744	S	S	*	*			cis	-171.3	149.9	-5.3	-110.6	-28.2	0	0	0	105.5
509	S	27.7	Very low	28	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	74%	0.738	S	S	*	*			trans	67.8	145.4	138.1	78.6	0	0	0	0	118.4
510	L	27.9	Very low	28.2	Very low	142 Å²	142	138 Å²	138	74%	0.743	74%	0.737	S	S	*	*			cis	-155	143.3	13.5	-94.2	124.3	0	0	0	106
511	C	25.7	Very low	28.4	Very low	112 Å²	112	136.6 Å²	136.6	76%	0.757	73%	0.728	S	S	*	*				45.4	128.8	95.9	-56.4	0	0	0	0	112.7
512	E	27.9	Very low	27.6	Very low	191 Å²	191	137 Å²	137	89%	0.893	73%	0.728	S	S	*	*			cis	-154.8	147.9	43.9	-68.3	169.2	145.5	0	0	106.7
513	G	25.8	Very low	27.8	Very low	65 Å²	65	135.2 Å²	135.2	67%	0.67	73%	0.734	S	S	*	*				90.6	111.3	54	0	0	0	0	0	109.4
514	I	29.9	Very low	28	Very low	175 Å²	175	129.1 Å²	129.1	90%	0.897	73%	0.734	S	S	*	*			trans	164.6	106	134.3	-78.3	154.9	0	0	0	108.9
515	D	26.7	Very low	28.2	Very low	135 Å²	135	128.3 Å²	128.3	72%	0.722	74%	0.74	S	S	*	*			trans	-66.5	154.3	156.9	-70.8	-55.2	0	0	0	110.9
516	F	29.6	Very low	28.6	Very low	172 Å²	172	126 Å²	126	75%	0.754	74%	0.738	S	S	*	*				170.4	131.1	106.3	-111.7	-95.8	0	0	0	111.6
517	D	27.3	Very low	29	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	75%	0.749	S	S	*	*			trans	56.4	155.8	136.4	-90.3	5	0	0	0	122
518	S	28	Very low	29.6	Very low	77 Å²	77	137.5 Å²	137.5	54%	0.538	77%	0.769	S	S	.	*			cis	169.4	172	-22.6	59.4	0	0	0	0	105.2
519	S	29.3	Very low	29.7	Very low	91 Å²	91	138.7 Å²	138.7	64%	0.636	78%	0.777	S	S	*	*			trans	77.2	112.5	157.1	74.1	0	0	0	0	116.5
520	E	32.2	Very low	29.8	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	78%	0.781	S	S	*	*				110.7	147.9	83.5	-89.6	-178.7	172.4	0	0	105.9
521	E	31.1	Very low	29.9	Very low	145 Å²	145	140.7 Å²	140.7	68%	0.678	78%	0.783	S	S	*	*			cis	-167.8	142.8	12.2	-126.6	-179	171.8	0	0	107.9
522	T	29.9	Very low	30.2	Very low	114 Å²	114	142.4 Å²	142.4	70%	0.699	79%	0.785	S	S	*	*			trans	38.1	150.7	137.1	55.9	0	0	0	0	126.2
523	S	30.7	Very low	30.3	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	78%	0.778	S	S	*	*			trans	88.3	124.6	158.9	77.5	0	0	0	0	115.5
524	G	29.4	Very low	30.6	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	79%	0.785	S	S	*	*			cis	114	102.9	18.3	0	0	0	0	0	109.1
525	C	28.7	Very low	30.7	Very low	137 Å²	137	142.1 Å²	142.1	93%	0.926	78%	0.777	S	S	*	*			trans	179.5	144.9	138.8	-149	0	0	0	0	111.8
526	V	34.6	Very low	31	Very low	126 Å²	126	142.6 Å²	142.6	76%	0.764	78%	0.781	S	S	*	*			trans	-97.7	148.4	-179.6	171.5	0	0	0	0	110.2
527	R	33.7	Very low	31.1	Very low	221 Å²	221	140.2 Å²	140.2	83%	0.834	78%	0.784	S	S	*	*			trans	141.2	130.1	149.5	-81.3	175.7	-179.1	-178.2	0.9	108.7
528	F	38.4	Very low	31.5	Very low	271 Å²	271	140.8 Å²	140.8	100%	1.189	79%	0.79	S	S	*	*			cis	-127.4	0	21.6	-86.4	-94.8	0	0	0	112.6

Retrieved 528 of 528 residues in 176.2 ms (Link to these results)

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