A0A087YDS2_POEFO Loading...

Alpha-L-fucosidase

Alpha-L-fucosidase is responsible for hydrolyzing the alpha-1,6-linked fucose joined to the reducing-end N-acetylglucosamine of the carbohydrate moieties of glycoproteins.

AlphaFold DB , UniProt , Accession A0A087YDS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	38.5	Very low	256 Å²	256	135.1 Å²	135.1	100%	1.261	81%	0.814	S	S	*	*				0	99.9	0	-72.9	179.3	-127.8	0	0	107.2
2	G	34.6	Very low	38.6	Very low	76 Å²	76	142.3 Å²	142.3	78%	0.784	82%	0.816	S	S	*	*			trans	-143.6	124.1	-177.3	0	0	0	0	0	108.4
3	A	40.2	Very low	38.7	Very low	96 Å²	96	140.5 Å²	140.5	79%	0.793	81%	0.809	S	S	*	*			trans	-73	140.8	-172.3	0	0	0	0	0	112.2
4	L	38	Very low	38.5	Very low	165 Å²	165	141.2 Å²	141.2	86%	0.864	81%	0.808	S	S	*	*			trans	-118	110.7	159.7	-112.4	102.2	0	0	0	108.7
5	T	37.6	Very low	38.3	Very low	122 Å²	122	139.5 Å²	139.5	75%	0.748	80%	0.801	S	S	*	*			trans	-80.4	115.9	174.4	-43.9	0	0	0	0	108.5	V7	T5-V7 HydrophobicContact CG2-CG2 4.49Å
6	V	40.9	Very low	38.2	Very low	123 Å²	123	139.4 Å²	139.4	75%	0.745	80%	0.795	S	S	*	*			trans	-91.4	111.3	170.6	176.5	0	0	0	0	108
7	V	39.5	Very low	38	Very low	117 Å²	117	139.1 Å²	139.1	71%	0.709	79%	0.791	S	S	*	*			trans	-88.8	108.4	171.5	175.2	0	0	0	0	107.9	T5 L9	T5-V7 HydrophobicContact CG2-CG2 4.49Å; V7-L9 PolarHBondContact O-N 3.38Å
8	C	35.3	Very low	38.1	Very low	111 Å²	111	142.3 Å²	142.3	75%	0.75	80%	0.795	S	S	*	*			trans	-76.4	108	168.3	-84.1	0	0	0	0	109.8	L10	C8-L10 PolarHBondContact O-N 3.36Å
9	L	37.5	Very low	38.3	Very low	156 Å²	156	141.5 Å²	141.5	82%	0.817	79%	0.794	S	S	*	*			trans	-79.4	101.6	166	-92	149.8	0	0	0	109.2	V7 V11	V7-L9 PolarHBondContact O-N 3.38Å; L9-V11 PolarHBondContact O-N 3.38Å
10	L	37.7	Very low	39.2	Very low	146 Å²	146	139.3 Å²	139.3	76%	0.764	77%	0.773	S	S	*	*			trans	-76.7	104.8	165.7	-98.4	143.5	0	0	0	108.6	C8 W12	C8-L10 PolarHBondContact O-N 3.36Å; L10-W12 PolarHBondContact O-N 3.25Å
11	V	40	Very low	40.4	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.715	77%	0.767	S	S	*	*			trans	-76.1	102.2	168.9	178.3	0	0	0	0	107.7	L9 T13	L9-V11 PolarHBondContact O-N 3.38Å; V11-T13 HydrophobicContact CG1-CG2 4.45Å; V11-T13 PolarHBondContact O-N 3.24Å
12	W	39.5	Very low	42.4	Very low	221 Å²	221	132 Å²	132	84%	0.837	74%	0.741	S	S	*	*			trans	-74.6	101.1	165	-92	42	0	0	0	108.5	L10 L14	L10-W12 PolarHBondContact O-N 3.25Å; W12-L14 PolarHBondContact O-N 2.99Å; W12-L14 VanDerWaalsContact O-N 3.07Å
13	T	40	Very low	45	Very low	119 Å²	119	129.8 Å²	129.8	73%	0.73	71%	0.709	S	S	*	*			trans	-68.8	98.8	162.7	43.1	0	0	0	0	108.2	V11 T15	V11-T13 HydrophobicContact CG1-CG2 4.45Å; V11-T13 PolarHBondContact O-N 3.24Å; T13-T15 PolarHBondContact O-N 3.07Å
14	L	36	Very low	47.4	Very low	151 Å²	151	131 Å²	131	79%	0.791	70%	0.698	S	S	*	*			trans	-61.4	96.9	164.5	-91.3	144.6	0	0	0	108.3	W12 I16	W12-L14 PolarHBondContact O-N 2.99Å; W12-L14 VanDerWaalsContact O-N 3.07Å; L14-I16 PolarHBondContact O-N 3.14Å; L14-I16 VanDerWaalsContact O-N 3.14Å
15	T	36.4	Very low	49.9	Very low	115 Å²	115	126.8 Å²	126.8	71%	0.706	68%	0.681	S	S	*	*			trans	-67.1	103.7	159.3	44.7	0	0	0	0	106.9	T13 D17	T13-T15 PolarHBondContact O-N 3.07Å; T15-D17 VanDerWaalsContact C-N 3.28Å; T15-D17 PolarHBondContact O-N 3.12Å
16	I	36.7	Very low	52.5	Low	138 Å²	138	123.5 Å²	123.5	71%	0.708	66%	0.66	S	S	*	*			trans	-69.7	94.4	167.6	-60.6	172.4	0	0	0	105.8	L14 F18	L14-I16 PolarHBondContact O-N 3.14Å; L14-I16 VanDerWaalsContact O-N 3.14Å; I16-F18 HydrophobicContact CG2-CD2 4.39Å; I16-F18 PolarHBondContact O-N 2.99Å; I16-F18 VanDerWaalsContact O-N 3.12Å
17	D	33.5	Very low	54.8	Low	134 Å²	134	119 Å²	119	72%	0.717	63%	0.63	S	S	*	*			trans	-62.4	109.3	160.8	-93.1	-34.1	0	0	0	106.8	T15 T19	T15-D17 VanDerWaalsContact C-N 3.28Å; T15-D17 PolarHBondContact O-N 3.12Å; D17-T19 PolarHBondContact O-N 2.93Å
18	F	40.1	Very low	57.1	Low	197 Å²	197	120.6 Å²	120.6	86%	0.864	63%	0.63	S	S	*	*			trans	-64.8	88.9	161.8	-92.9	-93.6	0	0	0	107	I16 R20	I16-F18 HydrophobicContact CG2-CD2 4.39Å; I16-F18 PolarHBondContact O-N 2.99Å; I16-F18 VanDerWaalsContact O-N 3.12Å; F18-R20 PolarHBondContact O-N 3.23Å
19	T	42.2	Very low	59.7	Low	128 Å²	128	116.5 Å²	116.5	79%	0.785	60%	0.602	S	S	*	*			trans	-63.7	94.1	162.2	50.2	0	0	0	0	106.6	D17 A21	D17-T19 PolarHBondContact O-N 2.93Å; T19-A21 PolarHBondContact O-N 3.35Å; T19-A21 VanDerWaalsContact O-N 3.09Å
20	R	56.6	Low	62.2	Low	96 Å²	96	109.2 Å²	109.2	36%	0.362	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-55.3	118.4	173.7	-164.9	-177.2	-166.9	164.7	15.8	107.2	F18 K22 E244	F18-R20 PolarHBondContact O-N 3.23Å; R20-K22 PolarHBondContact O-N 2.91Å; R20-E244 IonicContact CZ-OE1 3.78Å; R20-E244 IonicContact CZ-OE2 3.52Å; R20-E244 IonicContact NH1-OE1 3.49Å; R20-E244 PolarHBondContact NH1-OE1 3.29Å; R20-E244 IonicContact NH1-OE2 2.79Å; R20-E244 PolarHBondContact NH1-OE2 3.49Å; R20-E244 IonicContact NH2-OE2 3.47Å; R20-E244 PolarHBondContact NH2-OE2 2.78Å; R20-E244 VanDerWaalsContact NH2-OE2 3.12Å
21	A	64.2	Low	64.6	Low	79 Å²	79	104.5 Å²	104.5	65%	0.653	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-53.4	127.5	175	0	0	0	0	0	108.2	T19 Y23	T19-A21 PolarHBondContact O-N 3.35Å; T19-A21 VanDerWaalsContact O-N 3.09Å; A21-Y23 PolarHBondContact O-N 2.82Å
22	K	84.8	Confident	66.9	Low	165 Å²	165	102.7 Å²	102.7	72%	0.717	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-64.7	131.7	174.4	-80.6	-174.4	173.3	-173.7	0	108.2	R20 N238	R20-K22 PolarHBondContact O-N 2.91Å; K22-N238 WeakPolarHBondContact CA-OD1 3.49Å
23	Y	88.8	Confident	69.2	Low	28 Å²	28	93.1 Å²	93.1	11%	0.11	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-70.7	128.8	172.3	-61.3	-75.1	0	0	0	109.3	A21 S29 R33 Y237 N238	A21-Y23 PolarHBondContact O-N 2.82Å; Y23-S29 WeakPolarHBondContact CA-OG 3.09Å; Y23-S29 WeakPolarHBondContact CD1-O 3.02Å; Y23-R33 HydrophobicContact CD1-CB 4.45Å; Y23-R33 HydrophobicContact CE1-CB 3.71Å; Y23-R33 HydrophobicContact CE1-CG 4.18Å; Y23-R33 HydrophobicContact CE2-CG 4.49Å; Y23-Y237 VanDerWaalsContact CD2-CB 3.47Å; Y23-N238 WeakPolarHBondContact CD2-OD1 3.2Å; Y23-N238 PolarHBondContact N-ND2 3.06Å; Y23-N238 PolarHBondContact N-OD1 3.19Å; Y23-N238 PolarHBondContact O-ND2 2.88Å
24	E	90.4	Very high	71.5	Confident	123 Å²	123	92 Å²	92	58%	0.575	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-84.3	156.4	174.8	-67	-173.6	173	0	0	109.9	T26 S29	E24-T26 PolarHBondContact O-N 2.85Å; E24-S29 PolarHBondContact N-OG 2.84Å
25	P	90.9	Very high	74	Confident	76 Å²	76	87 Å²	87	49%	0.494	47%	0.465	S	S	.	.	S	Bend	trans	-75.7	48.5	178	34.1	-37.6	0	0	0	112.3	T230 A234	P25-T230 VanDerWaalsContact O-CB 3.27Å; P25-T230 WeakPolarHBondContact O-CB 3.38Å; P25-T230 PolarHBondContact O-OG1 3.28Å; P25-A234 HydrophobicContact CB-CB 4.18Å
26	T	90.8	Very high	76.7	Confident	52 Å²	52	82.4 Å²	82.4	32%	0.319	44%	0.437	S	S	.	.	S	Bend	trans	-125.3	145.9	176.9	58.9	0	0	0	0	109.5	E24 E28 S29 I30	E24-T26 PolarHBondContact O-N 2.85Å; T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 3.46Å; T26-S29 PolarHBondContact O-N 2.86Å; T26-S29 WeakPolarHBondContact OG1-CB 3.44Å; T26-I30 WeakPolarHBondContact O-CB 3.11Å; T26-I30 WeakPolarHBondContact O-CD1 3.39Å; T26-I30 WeakPolarHBondContact O-CG1 3.4Å; T26-I30 PolarHBondContact O-N 2.98Å
27	W	89.1	Confident	79.3	Confident	28 Å²	28	82.9 Å²	82.9	11%	0.106	44%	0.436	C	S	.	.	H	α-helix	trans	-62.9	-36.9	-178.7	-73.5	120	0	0	0	112	S29 I30 D31 D224 T230 L233 W252 H260	W27-S29 VanDerWaalsContact C-N 3.28Å; W27-S29 PolarHBondContact O-N 2.7Å; W27-I30 HydrophobicContact CE3-CB 4.42Å; W27-I30 HydrophobicContact CE3-CD1 4.44Å; W27-I30 HydrophobicContact CE3-CG2 4.11Å; W27-I30 HydrophobicContact CZ3-CG2 4.17Å; W27-I30 PolarHBondContact O-N 3.18Å; W27-D31 VanDerWaalsContact O-CB 3.27Å; W27-D31 WeakPolarHBondContact O-CB 3.36Å; W27-D31 VanDerWaalsContact O-CG 3.25Å; W27-D31 PolarHBondContact O-N 3.13Å; W27-D224 HydrophobicContact CZ2-CB 3.79Å; W27-D224 PolarHBondContact NE1-OD2 2.67Å; W27-T230 HydrophobicContact CD2-CG2 3.76Å; W27-T230 VanDerWaalsContact CE2-CG2 3.43Å; W27-T230 HydrophobicContact CE3-CG2 4.31Å; W27-T230 HydrophobicContact CG-CG2 4.14Å; W27-T230 HydrophobicContact CH2-CG2 4.32Å; W27-T230 HydrophobicContact CZ2-CG2 3.77Å; W27-L233 HydrophobicContact CH2-CD1 3.86Å; W27-L233 HydrophobicContact CZ3-CD1 3.66Å; W27-W252 HydrophobicContact CH2-CB 3.91Å; W27-W252 HydrophobicContact CH2-CG 4.41Å; W27-H260 AromaticContact CD1-NE2 3.99Å; W27-H260 HydrophobicContact CD2-CB 3.85Å; W27-H260 AromaticContact CD2-CG 3.64Å; W27-H260 AromaticContact CD2-ND1 3.9Å; W27-H260 HydrophobicContact CE3-CB 3.51Å; W27-H260 AromaticContact CE3-CG 3.8Å; W27-H260 AromaticContact CG-CE1 3.77Å; W27-H260 AromaticContact CG-CG 3.84Å; W27-H260 AromaticContact CG-ND1 3.69Å; W27-H260 AromaticContact CG-NE2 3.99Å; W27-H260 HydrophobicContact CH2-CB 4.16Å; W27-H260 HydrophobicContact CZ2-CB 4.44Å; W27-H260 HydrophobicContact CZ3-CB 3.69Å
28	E	88.9	Confident	82.1	Confident	152 Å²	152	77.7 Å²	77.7	71%	0.71	41%	0.406	S	S	*	.	H	α-helix	trans	-59.9	-39.2	176.6	-61.2	78.9	-174	0	0	111.9	T26 S32	T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 3.46Å; E28-S32 WeakPolarHBondContact O-CB 3.49Å; E28-S32 PolarHBondContact O-N 3.27Å
29	S	89.9	Confident	84.7	Confident	24 Å²	24	68.3 Å²	68.3	17%	0.168	37%	0.365	C	S	.	.	H	α-helix	trans	-73.8	-44.9	177	-170	0	0	0	0	111.3	Y23 E24 T26 W27 S32	Y23-S29 WeakPolarHBondContact CA-OG 3.09Å; Y23-S29 WeakPolarHBondContact CD1-O 3.02Å; E24-S29 PolarHBondContact N-OG 2.84Å; T26-S29 PolarHBondContact O-N 2.86Å; T26-S29 WeakPolarHBondContact OG1-CB 3.44Å; W27-S29 VanDerWaalsContact C-N 3.28Å; W27-S29 PolarHBondContact O-N 2.7Å; S29-S32 PolarHBondContact O-N 3.17Å; S29-S32 PolarHBondContact O-OG 3.01Å
30	I	89.1	Confident	87	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-48.1	-178.8	-74.8	162.2	0	0	0	111.9	T26 W27 S32 R33 T230 L233 Y237	T26-I30 WeakPolarHBondContact O-CB 3.11Å; T26-I30 WeakPolarHBondContact O-CD1 3.39Å; T26-I30 WeakPolarHBondContact O-CG1 3.4Å; T26-I30 PolarHBondContact O-N 2.98Å; W27-I30 HydrophobicContact CE3-CB 4.42Å; W27-I30 HydrophobicContact CE3-CD1 4.44Å; W27-I30 HydrophobicContact CE3-CG2 4.11Å; W27-I30 HydrophobicContact CZ3-CG2 4.17Å; W27-I30 PolarHBondContact O-N 3.18Å; I30-S32 PolarHBondContact O-N 3.32Å; I30-R33 VanDerWaalsContact O-CB 3.26Å; I30-R33 WeakPolarHBondContact O-CB 3.43Å; I30-R33 PolarHBondContact O-N 2.85Å; I30-R33 VanDerWaalsContact O-N 3.15Å; I30-T230 HydrophobicContact CD1-CG2 4.08Å; I30-L233 HydrophobicContact CD1-CB 3.85Å; I30-L233 HydrophobicContact CD1-CD1 4.41Å; I30-L233 HydrophobicContact CG1-CB 4.29Å; I30-L233 HydrophobicContact CG2-CB 4.46Å; I30-L233 HydrophobicContact CG2-CD1 4.14Å; I30-Y237 HydrophobicContact CG2-CE2 4Å
31	D	88.3	Confident	88.8	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-72	-18.5	-177.8	-64.9	-22.6	0	0	0	111.8	W27 R33 H260 G261	W27-D31 VanDerWaalsContact O-CB 3.27Å; W27-D31 WeakPolarHBondContact O-CB 3.36Å; W27-D31 VanDerWaalsContact O-CG 3.25Å; W27-D31 PolarHBondContact O-N 3.13Å; D31-R33 PolarHBondContact O-N 3.43Å; D31-H260 IonicContact OD2-CE1 2.73Å; D31-H260 IonicContact OD2-CG 3.92Å; D31-H260 IonicContact OD2-ND1 3.32Å; D31-H260 PolarHBondContact OD2-ND1 3.04Å; D31-G261 PolarHBondContact OD1-N 2.82Å
32	S	88.1	Confident	90.2	Very high	80 Å²	80	60.1 Å²	60.1	56%	0.559	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.1	172.8	79.1	0	0	0	0	113.6	E28 S29 I30 P34	E28-S32 WeakPolarHBondContact O-CB 3.49Å; E28-S32 PolarHBondContact O-N 3.27Å; S29-S32 PolarHBondContact O-N 3.17Å; S29-S32 PolarHBondContact O-OG 3.01Å; I30-S32 PolarHBondContact O-N 3.32Å; S32-P34 WeakPolarHBondContact O-CD 3.49Å
33	R	88.3	Confident	90.7	Very high	20 Å²	20	52.3 Å²	52.3	8%	0.075	28%	0.277	C	S	.	.	S	Bend	trans	-66.2	123.3	-179.2	178.7	170.9	177	-89.7	6.1	110.1	Y23 I30 D31 L35 Y237 K243 V246	Y23-R33 HydrophobicContact CD1-CB 4.45Å; Y23-R33 HydrophobicContact CE1-CB 3.71Å; Y23-R33 HydrophobicContact CE1-CG 4.18Å; Y23-R33 HydrophobicContact CE2-CG 4.49Å; I30-R33 VanDerWaalsContact O-CB 3.26Å; I30-R33 WeakPolarHBondContact O-CB 3.43Å; I30-R33 PolarHBondContact O-N 2.85Å; I30-R33 VanDerWaalsContact O-N 3.15Å; D31-R33 PolarHBondContact O-N 3.43Å; R33-L35 PolarHBondContact O-N 3.41Å; R33-Y237 VanDerWaalsContact CD-CG 3.49Å; R33-K243 PolarHBondContact NH2-O 3.46Å; R33-V246 PolarHBondContact NH1-O 2.8Å; R33-V246 PolarHBondContact NH2-O 2.98Å
34	P	88.6	Confident	91.1	Very high	95 Å²	95	51 Å²	51	62%	0.617	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-65.4	139.5	174.6	27.7	-33.9	0	0	0	110.3	S32	S32-P34 WeakPolarHBondContact O-CD 3.49Å
35	L	89.2	Confident	91.4	Very high	47 Å²	47	45.1 Å²	45.1	25%	0.246	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66	136.4	172.2	-84.2	176.1	0	0	0	110.7	R33 E37 V247 G262 K279	R33-L35 PolarHBondContact O-N 3.41Å; L35-E37 PolarHBondContact O-N 2.96Å; L35-V247 HydrophobicContact CD2-CB 4.36Å; L35-V247 HydrophobicContact CD2-CG1 3.86Å; L35-G262 WeakPolarHBondContact CD1-O 3.48Å; L35-G262 VanDerWaalsContact CD2-O 3.24Å; L35-G262 WeakPolarHBondContact CD2-O 3.16Å; L35-G262 VanDerWaalsContact CG-O 3.23Å; L35-G262 WeakPolarHBondContact CG-O 3.28Å; L35-K279 HydrophobicContact CD1-CB 3.31Å; L35-K279 HydrophobicContact CD1-CG 3.66Å
36	P	91.5	Very high	91.7	Very high	17 Å²	17	41.5 Å²	41.5	11%	0.11	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-55.3	131.9	169.4	-24.2	34.4	0	0	0	111.6	W38 F39 V247	P36-W38 HydrophobicContact CB-CG 4.33Å; P36-W38 PolarHBondContact O-N 3.03Å; P36-W38 VanDerWaalsContact O-N 3.12Å; P36-F39 PolarHBondContact O-N 2.99Å; P36-V247 HydrophobicContact CG-CG1 3.81Å
37	E	91.4	Very high	91.9	Very high	149 Å²	149	39.2 Å²	39.2	70%	0.696	21%	0.207	S	C	*	.	H	α-helix	trans	-56.2	-34.4	-176	-64.1	-175.9	175	0	0	113	L35 F39 D40 Q41	L35-E37 PolarHBondContact O-N 2.96Å; E37-F39 PolarHBondContact O-N 3.12Å; E37-D40 PolarHBondContact O-N 2.69Å; E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 VanDerWaalsContact O-CG 3.25Å; E37-Q41 WeakPolarHBondContact O-CG 3.14Å; E37-Q41 PolarHBondContact O-N 2.68Å
38	W	93.4	Very high	92.3	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-35	-179.3	76.8	-101.5	0	0	0	112.2	P36 Q41 A42 Y116 R165 E212 V213 T245 V247	P36-W38 HydrophobicContact CB-CG 4.33Å; P36-W38 PolarHBondContact O-N 3.03Å; P36-W38 VanDerWaalsContact O-N 3.12Å; W38-Q41 PolarHBondContact O-N 3.22Å; W38-A42 HydrophobicContact CE3-CB 4.29Å; W38-A42 HydrophobicContact CZ3-CB 4.44Å; W38-A42 VanDerWaalsContact O-CB 3.26Å; W38-A42 WeakPolarHBondContact O-CB 3.45Å; W38-A42 PolarHBondContact O-N 3.09Å; W38-Y116 HydrophobicContact CZ3-CD1 4.41Å; W38-Y116 HydrophobicContact CZ3-CG 4.44Å; W38-R165 HydrophobicContact CE3-CG 4.43Å; W38-R165 VanDerWaalsContact CG-NH1 3.28Å; W38-R165 HydrophobicContact CH2-CB 4.36Å; W38-R165 HydrophobicContact CZ3-CB 4.26Å; W38-R165 HydrophobicContact CZ3-CG 4.38Å; W38-E212 HydrophobicContact CH2-CB 4.39Å; W38-E212 HydrophobicContact CZ2-CB 3.92Å; W38-V213 HydrophobicContact CH2-CG2 3.61Å; W38-V213 HydrophobicContact CZ2-CG2 4.32Å; W38-T245 PolarHBondContact NE1-O 3.02Å; W38-V247 HydrophobicContact CH2-CG2 4.26Å; W38-V247 HydrophobicContact CZ2-CG1 4.29Å; W38-V247 HydrophobicContact CZ2-CG2 4.07Å
39	F	93.3	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-73	-41.7	-177.1	-175.7	-105.1	0	0	0	110	P36 E37 Q41 A42 Y116 V247 Y263 K279 N321	P36-F39 PolarHBondContact O-N 2.99Å; E37-F39 PolarHBondContact O-N 3.12Å; F39-Q41 VanDerWaalsContact C-N 3.27Å; F39-Q41 PolarHBondContact O-N 3.39Å; F39-A42 PolarHBondContact O-N 2.98Å; F39-Y116 HydrophobicContact CE2-CE1 4.44Å; F39-Y116 HydrophobicContact CE2-CE2 4.13Å; F39-Y116 AromaticContact CE2-CZ 3.97Å; F39-V247 HydrophobicContact CB-CG1 3.95Å; F39-V247 HydrophobicContact CD2-CG2 3.76Å; F39-V247 HydrophobicContact CE2-CG2 4.03Å; F39-V247 HydrophobicContact CG-CG1 4.12Å; F39-V247 HydrophobicContact CG-CG2 4.14Å; F39-Y263 HydrophobicContact CD1-CD1 4.36Å; F39-Y263 AromaticContact CE1-CD1 3.57Å; F39-Y263 HydrophobicContact CE1-CD1 3.57Å; F39-Y263 HydrophobicContact CE1-CD2 4.25Å; F39-Y263 HydrophobicContact CE1-CE1 4.02Å; F39-Y263 AromaticContact CE1-CG 3.68Å; F39-Y263 HydrophobicContact CE1-CG 3.68Å; F39-Y263 HydrophobicContact CE2-CE1 4.24Å; F39-Y263 AromaticContact CZ-CD1 3.7Å; F39-Y263 HydrophobicContact CZ-CD1 3.7Å; F39-Y263 HydrophobicContact CZ-CD2 4.17Å; F39-Y263 AromaticContact CZ-CE1 3.64Å; F39-Y263 HydrophobicContact CZ-CE1 3.64Å; F39-Y263 HydrophobicContact CZ-CE2 4.12Å; F39-Y263 AromaticContact CZ-CG 3.95Å; F39-Y263 HydrophobicContact CZ-CG 3.95Å; F39-Y263 AromaticContact CZ-CZ 3.82Å; F39-K279 HydrophobicContact CD1-CG 4.41Å; F39-K279 HydrophobicContact CE1-CG 4.28Å; F39-N321 PolarHBondContact O-ND2 3.31Å
40	D	91.9	Very high	92.7	Very high	52 Å²	52	30 Å²	30	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-63.5	-37.5	172.5	-175.5	57.9	0	0	0	111.5	E37 K43 K279	E37-D40 PolarHBondContact O-N 2.69Å; D40-K43 WeakPolarHBondContact O-CD 3.33Å; D40-K43 WeakPolarHBondContact O-CE 3.15Å; D40-K43 PolarHBondContact O-NZ 3Å; D40-K43 IonicContact OD1-NZ 2.7Å; D40-K43 PolarHBondContact OD1-NZ 2.85Å; D40-K43 IonicContact OD2-NZ 3.96Å; D40-K43 PolarHBondContact OD2-NZ 3.09Å; D40-K279 WeakPolarHBondContact OD1-CE 3.14Å; D40-K279 IonicContact OD1-NZ 3.2Å; D40-K279 PolarHBondContact OD1-NZ 3.37Å
41	Q	93.3	Very high	92.9	Very high	74 Å²	74	30 Å²	30	35%	0.346	16%	0.163	S	C	.	.	H	α-helix	trans	-72	-27.9	-179.6	-75.5	172.4	5.4	0	0	114.4	E37 W38 F39 N358	E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 VanDerWaalsContact O-CG 3.25Å; E37-Q41 WeakPolarHBondContact O-CG 3.14Å; E37-Q41 PolarHBondContact O-N 2.68Å; W38-Q41 PolarHBondContact O-N 3.22Å; F39-Q41 VanDerWaalsContact C-N 3.27Å; F39-Q41 PolarHBondContact O-N 3.39Å; Q41-N358 WeakPolarHBondContact CB-OD1 3.37Å; Q41-N358 WeakPolarHBondContact CG-OD1 3.42Å; Q41-N358 PolarHBondContact O-N 2.81Å; Q41-N358 PolarHBondContact OE1-OD1 3.07Å
42	A	94.2	Very high	93	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-41.1	-172.2	0	0	0	0	0	114	W38 F39 F44 K115 Y116 Y357	W38-A42 HydrophobicContact CE3-CB 4.29Å; W38-A42 HydrophobicContact CZ3-CB 4.44Å; W38-A42 VanDerWaalsContact O-CB 3.26Å; W38-A42 WeakPolarHBondContact O-CB 3.45Å; W38-A42 PolarHBondContact O-N 3.09Å; F39-A42 PolarHBondContact O-N 2.98Å; A42-F44 PolarHBondContact O-N 2.86Å; A42-K115 HydrophobicContact CB-CB 3.71Å; A42-K115 HydrophobicContact CB-CG 4.31Å; A42-Y116 HydrophobicContact CB-CD1 3.91Å; A42-Y116 HydrophobicContact CB-CE1 4.01Å; A42-Y357 VanDerWaalsContact O-CD1 3.28Å; A42-Y357 WeakPolarHBondContact O-CD1 3.43Å; A42-Y357 WeakPolarHBondContact O-CE1 3.44Å
43	K	95.1	Very high	93.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	13%	0.127	C	C	.	.			trans	57.2	-32.8	-179.4	-55.5	-49	-179	-167.4	0	118.2	D40 V316 N321 L322 I356 T359	D40-K43 WeakPolarHBondContact O-CD 3.33Å; D40-K43 WeakPolarHBondContact O-CE 3.15Å; D40-K43 PolarHBondContact O-NZ 3Å; D40-K43 IonicContact OD1-NZ 2.7Å; D40-K43 PolarHBondContact OD1-NZ 2.85Å; D40-K43 IonicContact OD2-NZ 3.96Å; D40-K43 PolarHBondContact OD2-NZ 3.09Å; K43-V316 HydrophobicContact CB-CG2 3.84Å; K43-V316 HydrophobicContact CD-CG1 4.03Å; K43-V316 HydrophobicContact CD-CG2 4.31Å; K43-V316 HydrophobicContact CG-CG1 4.14Å; K43-V316 HydrophobicContact CG-CG2 4.17Å; K43-N321 WeakPolarHBondContact CA-OD1 3.29Å; K43-N321 CarbonylContact O-C 3.57Å; K43-N321 VanDerWaalsContact O-CA 3.3Å; K43-N321 WeakPolarHBondContact O-CA 3.46Å; K43-L322 PolarHBondContact O-N 3.15Å; K43-I356 HydrophobicContact CB-CG2 3.78Å; K43-I356 HydrophobicContact CG-CG2 4.1Å; K43-I356 VanDerWaalsContact CG-O 3.24Å; K43-I356 WeakPolarHBondContact CG-O 3.47Å; K43-T359 WeakPolarHBondContact CE-O 3.25Å; K43-T359 PolarHBondContact NZ-O 2.79Å
44	F	96.6	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.9	-173.7	179.2	-125.3	0	0	0	111.5	A42 I46 A114 K115 L312 L322 M324 M345 L349	A42-F44 PolarHBondContact O-N 2.86Å; F44-I46 HydrophobicContact CZ-CG1 4.4Å; F44-A114 HydrophobicContact CD1-CB 4.04Å; F44-A114 HydrophobicContact CE1-CB 3.98Å; F44-K115 PolarHBondContact O-N 3.27Å; F44-L312 HydrophobicContact CB-CD1 4.18Å; F44-L312 HydrophobicContact CD2-CD1 4.31Å; F44-L322 WeakPolarHBondContact CA-O 3.39Å; F44-L322 HydrophobicContact CD2-CB 4.27Å; F44-L322 HydrophobicContact CD2-CD2 4.21Å; F44-L322 HydrophobicContact CD2-CG 4.42Å; F44-L322 HydrophobicContact CE2-CD2 4.28Å; F44-M324 HydrophobicContact CE2-CB 3.82Å; F44-M324 HydrophobicContact CE2-CE 3.96Å; F44-M324 HydrophobicContact CE2-SD 4.47Å; F44-M324 HydrophobicContact CZ-CB 4.48Å; F44-M324 HydrophobicContact CZ-CE 3.63Å; F44-M345 HydrophobicContact CE1-CG 4.02Å; F44-M345 HydrophobicContact CZ-CG 4Å; F44-L349 HydrophobicContact CD1-CD1 3.78Å; F44-L349 HydrophobicContact CE1-CD1 4.21Å; F44-L349 HydrophobicContact CG-CD1 4.45Å
45	G	96.8	Very high	93.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	167.6	175.1	0	0	0	0	0	112.6	Y116 L322 M324	G45-Y116 CarbonylContact C-O 3.49Å; G45-Y116 WeakPolarHBondContact CA-O 3.06Å; G45-L322 PolarHBondContact N-O 3.3Å; G45-M324 PolarHBondContact O-N 2.76Å
46	I	97.2	Very high	93.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	-179.6	-65.3	171.5	0	0	0	110.5	F44 I48 F109 S112 A114 Y116 I117 V118 L323 M324 V326 L342	F44-I46 HydrophobicContact CZ-CG1 4.4Å; I46-I48 HydrophobicContact CG2-CG1 4.12Å; I46-F109 HydrophobicContact CD1-CB 3.77Å; I46-F109 HydrophobicContact CD1-CD1 3.35Å; I46-F109 HydrophobicContact CD1-CE1 4.21Å; I46-F109 HydrophobicContact CD1-CG 3.79Å; I46-F109 HydrophobicContact CG2-CD1 4.07Å; I46-F109 HydrophobicContact CG2-CE1 3.94Å; I46-F109 HydrophobicContact CG2-CZ 4.48Å; I46-S112 WeakPolarHBondContact CD1-OG 2.95Å; I46-A114 HydrophobicContact CD1-CB 3.74Å; I46-A114 HydrophobicContact CG1-CB 3.77Å; I46-Y116 PolarHBondContact N-O 2.58Å; I46-I117 HydrophobicContact CB-CG2 4.44Å; I46-I117 CarbonylContact O-C 3.56Å; I46-I117 VanDerWaalsContact O-CA 3.26Å; I46-I117 WeakPolarHBondContact O-CA 3.31Å; I46-V118 PolarHBondContact O-N 2.87Å; I46-L323 VanDerWaalsContact C-CD1 3.46Å; I46-M324 CarbonylContact C-O 3.49Å; I46-M324 VanDerWaalsContact CA-O 3.26Å; I46-M324 WeakPolarHBondContact CA-O 3.46Å; I46-V326 HydrophobicContact CG2-CG2 4.03Å; I46-L342 HydrophobicContact CD1-CD1 4.32Å; I46-L342 HydrophobicContact CD1-CD2 3.56Å; I46-L342 HydrophobicContact CG1-CD2 4.02Å
47	F	96.7	Very high	93.4	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.1	170.5	-141.5	157.8	0	0	0	109.7	H49 V118 T120 Y169 W215 W291 L323 M324 N325 V326	F47-H49 AromaticContact CD1-CE1 3.93Å; F47-H49 AromaticContact CD2-CE1 3.78Å; F47-H49 AromaticContact CD2-ND1 3.88Å; F47-H49 AromaticContact CE1-CE1 3.68Å; F47-H49 AromaticContact CE2-CE1 3.52Å; F47-H49 AromaticContact CE2-ND1 3.99Å; F47-H49 AromaticContact CG-CE1 3.98Å; F47-H49 AromaticContact CZ-CE1 3.44Å; F47-H49 VanDerWaalsContact CZ-CE1 3.44Å; F47-H49 WeakPolarHBondContact CZ-CE1 3.39Å; F47-V118 CarbonylContact C-O 3.43Å; F47-V118 WeakPolarHBondContact CA-O 3.42Å; F47-V118 HydrophobicContact CD2-CB 3.81Å; F47-V118 HydrophobicContact CD2-CG1 3.8Å; F47-V118 VanDerWaalsContact CD2-O 3.25Å; F47-V118 WeakPolarHBondContact CD2-O 2.98Å; F47-V118 HydrophobicContact CE2-CB 4.15Å; F47-V118 HydrophobicContact CE2-CG1 3.59Å; F47-V118 HydrophobicContact CG-CB 4.32Å; F47-V118 HydrophobicContact CZ-CG1 4.24Å; F47-T120 HydrophobicContact CE2-CG2 4.09Å; F47-Y169 AromaticContact CE2-CD2 3.82Å; F47-Y169 HydrophobicContact CE2-CD2 3.82Å; F47-Y169 AromaticContact CE2-CG 3.88Å; F47-Y169 HydrophobicContact CE2-CG 3.88Å; F47-Y169 AromaticContact CZ-CD2 3.35Å; F47-Y169 HydrophobicContact CZ-CD2 3.35Å; F47-Y169 AromaticContact CZ-CE2 3.94Å; F47-Y169 HydrophobicContact CZ-CE2 3.94Å; F47-Y169 AromaticContact CZ-CG 3.91Å; F47-Y169 HydrophobicContact CZ-CG 3.91Å; F47-W215 HydrophobicContact CE1-CD2 4.39Å; F47-W215 HydrophobicContact CE1-CZ2 4.27Å; F47-W215 HydrophobicContact CZ-CD2 4.22Å; F47-W215 HydrophobicContact CZ-CE3 4.44Å; F47-W291 HydrophobicContact CD1-CZ3 4.03Å; F47-W291 HydrophobicContact CE1-CZ3 4.41Å; F47-L323 HydrophobicContact CB-CD1 3.94Å; F47-L323 HydrophobicContact CB-CD2 4.31Å; F47-L323 HydrophobicContact CB-CG 3.87Å; F47-L323 HydrophobicContact CD1-CD2 3.43Å; F47-L323 VanDerWaalsContact CD1-CD2 3.43Å; F47-L323 HydrophobicContact CD1-CG 3.78Å; F47-L323 HydrophobicContact CE1-CD2 3.92Å; F47-L323 HydrophobicContact CG-CD1 4.35Å; F47-L323 HydrophobicContact CG-CD2 3.92Å; F47-L323 HydrophobicContact CG-CG 4.03Å; F47-M324 PolarHBondContact N-O 3.42Å; F47-N325 HydrophobicContact CB-CB 3.74Å; F47-N325 CarbonylContact O-C 3.49Å; F47-N325 WeakPolarHBondContact O-CA 3.49Å; F47-N325 PolarHBondContact O-OD1 2.53Å; F47-V326 PolarHBondContact O-N 2.86Å
48	I	96.3	Very high	93.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	106.5	179.7	-50.8	164.8	0	0	0	108.8	I46 W50 W105 F109 I117 V118 L119 T120 V326 P328	I46-I48 HydrophobicContact CG2-CG1 4.12Å; I48-W50 HydrophobicContact CG2-CB 4.18Å; I48-W105 HydrophobicContact CD1-CE3 4.19Å; I48-W105 HydrophobicContact CD1-CZ3 4.2Å; I48-W105 HydrophobicContact CG2-CH2 4.15Å; I48-W105 HydrophobicContact CG2-CZ3 3.85Å; I48-F109 HydrophobicContact CD1-CD2 4.43Å; I48-F109 HydrophobicContact CD1-CE2 3.4Å; I48-F109 HydrophobicContact CD1-CZ 3.44Å; I48-F109 VanDerWaalsContact CD1-CZ 3.44Å; I48-F109 HydrophobicContact CG1-CE2 4.33Å; I48-F109 HydrophobicContact CG1-CZ 3.93Å; I48-I117 HydrophobicContact CD1-CD1 4.44Å; I48-V118 PolarHBondContact N-O 2.95Å; I48-L119 HydrophobicContact CB-CD1 3.9Å; I48-L119 HydrophobicContact CD1-CD1 4.25Å; I48-L119 HydrophobicContact CG2-CD1 3.84Å; I48-T120 WeakPolarHBondContact O-CB 3.15Å; I48-T120 VanDerWaalsContact O-CG2 3.26Å; I48-T120 WeakPolarHBondContact O-CG2 3.3Å; I48-T120 PolarHBondContact O-N 2.81Å; I48-T120 PolarHBondContact O-OG1 2.93Å; I48-V326 WeakPolarHBondContact CA-O 3.45Å; I48-V326 HydrophobicContact CG1-CG2 4.07Å; I48-V326 HydrophobicContact CG2-CG2 4.5Å; I48-P328 HydrophobicContact CG2-CG 3.62Å
49	H	94.7	Very high	92.8	Very high	7 Å²	7	10.9 Å²	10.9	3%	0.032	6%	0.06	C	C	.	.			trans	-94.2	102.8	171.4	-78.3	69.6	0	0	0	110.1	F47 F53 T120 W291 N325 V326	F47-H49 AromaticContact CD1-CE1 3.93Å; F47-H49 AromaticContact CD2-CE1 3.78Å; F47-H49 AromaticContact CD2-ND1 3.88Å; F47-H49 AromaticContact CE1-CE1 3.68Å; F47-H49 AromaticContact CE2-CE1 3.52Å; F47-H49 AromaticContact CE2-ND1 3.99Å; F47-H49 AromaticContact CG-CE1 3.98Å; F47-H49 AromaticContact CZ-CE1 3.44Å; F47-H49 VanDerWaalsContact CZ-CE1 3.44Å; F47-H49 WeakPolarHBondContact CZ-CE1 3.39Å; H49-F53 HydrophobicContact CB-CE2 4.43Å; H49-F53 HydrophobicContact CB-CZ 4.45Å; H49-T120 WeakPolarHBondContact CA-OG1 3.25Å; H49-T120 HydrophobicContact CB-CG2 4.35Å; H49-W291 HydrophobicContact CB-CB 4.04Å; H49-W291 WeakPolarHBondContact CB-O 3.42Å; H49-W291 AromaticContact CE1-CE3 3.54Å; H49-W291 AromaticContact ND1-CE3 3.82Å; H49-N325 PolarHBondContact N-OD1 2.9Å; H49-N325 PolarHBondContact ND1-OD1 3.34Å; H49-V326 PolarHBondContact N-O 3.22Å; H49-V326 VanDerWaalsContact N-O 3.15Å
50	W	93.8	Very high	92.5	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.011	6%	0.064	C	C	.	.			trans	-142.9	135.6	-175.2	-169.8	48.8	0	0	0	110.9	I48 F95 A97 F100 W105 T120 L130 L150 P328 T329	I48-W50 HydrophobicContact CG2-CB 4.18Å; W50-F95 HydrophobicContact CD2-CE2 4.09Å; W50-F95 AromaticContact CD2-CZ 3.76Å; W50-F95 HydrophobicContact CD2-CZ 3.76Å; W50-F95 AromaticContact CE2-CE2 3.42Å; W50-F95 VanDerWaalsContact CE2-CE2 3.42Å; W50-F95 AromaticContact CE2-CZ 3.41Å; W50-F95 VanDerWaalsContact CE2-CZ 3.41Å; W50-F95 HydrophobicContact CE3-CZ 4.15Å; W50-F95 HydrophobicContact CG-CE2 4.44Å; W50-F95 HydrophobicContact CG-CZ 4.39Å; W50-F95 AromaticContact CH2-CZ 3.93Å; W50-F95 HydrophobicContact CH2-CZ 3.93Å; W50-F95 AromaticContact CZ2-CE2 3.65Å; W50-F95 HydrophobicContact CZ2-CE2 3.65Å; W50-F95 AromaticContact CZ2-CZ 3.48Å; W50-F95 HydrophobicContact CZ2-CZ 3.48Å; W50-F95 VanDerWaalsContact CZ2-CZ 3.48Å; W50-F95 HydrophobicContact CZ3-CZ 4.26Å; W50-F95 AromaticContact NE1-CE2 3.41Å; W50-F95 AromaticContact NE1-CZ 3.88Å; W50-A97 HydrophobicContact CH2-CB 3.59Å; W50-A97 HydrophobicContact CZ2-CB 3.7Å; W50-F100 HydrophobicContact CH2-CB 4.18Å; W50-F100 AromaticContact CH2-CD2 3.8Å; W50-F100 HydrophobicContact CH2-CD2 3.8Å; W50-F100 HydrophobicContact CH2-CE2 4.38Å; W50-F100 AromaticContact CH2-CG 3.91Å; W50-F100 HydrophobicContact CH2-CG 3.91Å; W50-F100 HydrophobicContact CZ3-CD2 4.04Å; W50-F100 HydrophobicContact CZ3-CE2 4.16Å; W50-F100 HydrophobicContact CZ3-CG 4.44Å; W50-W105 AromaticContact CD2-CH2 3.79Å; W50-W105 HydrophobicContact CD2-CH2 3.79Å; W50-W105 HydrophobicContact CD2-CZ2 4.46Å; W50-W105 AromaticContact CE3-CH2 3.5Å; W50-W105 HydrophobicContact CE3-CH2 3.5Å; W50-W105 HydrophobicContact CE3-CZ2 4.38Å; W50-W105 HydrophobicContact CE3-CZ3 4.21Å; W50-W105 HydrophobicContact CG-CH2 4.32Å; W50-W105 HydrophobicContact CH2-CH2 4.37Å; W50-W105 AromaticContact CZ3-CH2 3.78Å; W50-W105 HydrophobicContact CZ3-CH2 3.78Å; W50-W105 HydrophobicContact CZ3-CZ2 4.4Å; W50-W105 HydrophobicContact CZ3-CZ3 4.46Å; W50-T120 PolarHBondContact N-OG1 3.49Å; W50-T120 PolarHBondContact O-OG1 3.22Å; W50-L130 HydrophobicContact CE3-CD1 4.07Å; W50-L150 HydrophobicContact CE3-CD1 4.33Å; W50-L150 HydrophobicContact CH2-CD1 3.78Å; W50-L150 HydrophobicContact CH2-CD2 4.06Å; W50-L150 HydrophobicContact CH2-CG 4.47Å; W50-L150 HydrophobicContact CZ3-CB 4.28Å; W50-L150 HydrophobicContact CZ3-CD1 3.54Å; W50-L150 HydrophobicContact CZ3-CD2 4.13Å; W50-L150 HydrophobicContact CZ3-CG 4.19Å; W50-P328 HydrophobicContact CB-CG 4.14Å; W50-P328 HydrophobicContact CG-CB 4.11Å; W50-P328 HydrophobicContact CG-CG 4.13Å; W50-T329 PolarHBondContact NE1-O 3.18Å
51	G	92.1	Very high	92.2	Very high	4 Å²	4	9.6 Å²	9.6	4%	0.041	5%	0.054	C	C	.	.	S	Bend	trans	171.6	-162	178.6	0	0	0	0	0	111.7	F53 S54	G51-F53 PolarHBondContact O-N 3.09Å; G51-F53 VanDerWaalsContact O-N 3.17Å; G51-S54 VanDerWaalsContact O-CB 3.22Å; G51-S54 WeakPolarHBondContact O-CB 3.49Å; G51-S54 PolarHBondContact O-N 2.82Å; G51-S54 PolarHBondContact O-OG 2.84Å
52	V	91.5	Very high	92	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-58.8	-31.8	-177.4	-178.1	0	0	0	0	112.2	S54 V55 P56 Y88 F91 A92 F128	V52-S54 PolarHBondContact O-N 2.77Å; V52-V55 VanDerWaalsContact O-CB 3.27Å; V52-V55 WeakPolarHBondContact O-CB 3.4Å; V52-V55 WeakPolarHBondContact O-CG2 3.45Å; V52-V55 PolarHBondContact O-N 2.62Å; V52-P56 WeakPolarHBondContact O-CD 3.47Å; V52-Y88 HydrophobicContact CB-CE1 4.33Å; V52-Y88 HydrophobicContact CG1-CE1 3.89Å; V52-F91 HydrophobicContact CG1-CB 3.45Å; V52-F91 VanDerWaalsContact CG1-CB 3.45Å; V52-A92 HydrophobicContact CG2-CB 4.28Å; V52-F128 HydrophobicContact CG2-CB 3.98Å; V52-F128 HydrophobicContact CG2-CD1 3.68Å; V52-F128 HydrophobicContact CG2-CD2 3.74Å; V52-F128 HydrophobicContact CG2-CE1 4Å; V52-F128 HydrophobicContact CG2-CE2 4.06Å; V52-F128 HydrophobicContact CG2-CG 3.52Å; V52-F128 HydrophobicContact CG2-CZ 4.16Å
53	F	90.6	Very high	91.8	Very high	10 Å²	10	10 Å²	10	4%	0.044	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20	174	54.9	-100.2	0	0	0	113.6	H49 G51 V55 P56 E61 Y88 H123 E125	H49-F53 HydrophobicContact CB-CE2 4.43Å; H49-F53 HydrophobicContact CB-CZ 4.45Å; G51-F53 PolarHBondContact O-N 3.09Å; G51-F53 VanDerWaalsContact O-N 3.17Å; F53-V55 VanDerWaalsContact C-N 3.26Å; F53-V55 PolarHBondContact O-N 3.12Å; F53-P56 WeakPolarHBondContact O-CD 3.5Å; F53-P56 WeakPolarHBondContact O-CG 3.33Å; F53-E61 HydrophobicContact CD2-CB 3.64Å; F53-E61 HydrophobicContact CE2-CB 3.75Å; F53-E61 HydrophobicContact CG-CB 4.05Å; F53-E61 HydrophobicContact CZ-CB 4.26Å; F53-Y88 PolarHBondContact N-OH 3.36Å; F53-H123 HydrophobicContact CE1-CB 3.76Å; F53-H123 AromaticContact CE1-CG 3.94Å; F53-H123 AromaticContact CE1-ND1 3.96Å; F53-E125 WeakPolarHBondContact CB-OE2 3.39Å
54	S	91.3	Very high	91.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-72	-18.3	173	-61.3	0	0	0	0	112.8	G51 V52 S57 P328	G51-S54 VanDerWaalsContact O-CB 3.22Å; G51-S54 WeakPolarHBondContact O-CB 3.49Å; G51-S54 PolarHBondContact O-N 2.82Å; G51-S54 PolarHBondContact O-OG 2.84Å; V52-S54 PolarHBondContact O-N 2.77Å; S54-S57 PolarHBondContact O-N 3.2Å; S54-S57 PolarHBondContact O-OG 2.85Å; S54-P328 PolarHBondContact OG-O 3.48Å
55	V	91.8	Very high	91.2	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-55.9	178.7	179.8	0	0	0	0	112.8	V52 F53 S57 F91 Q94 F95 R330	V52-V55 VanDerWaalsContact O-CB 3.27Å; V52-V55 WeakPolarHBondContact O-CB 3.4Å; V52-V55 WeakPolarHBondContact O-CG2 3.45Å; V52-V55 PolarHBondContact O-N 2.62Å; F53-V55 VanDerWaalsContact C-N 3.26Å; F53-V55 PolarHBondContact O-N 3.12Å; V55-S57 PolarHBondContact O-N 2.95Å; V55-S57 PolarHBondContact O-OG 3.21Å; V55-F91 HydrophobicContact CB-CB 4.3Å; V55-F91 HydrophobicContact CB-CD1 4.17Å; V55-F91 HydrophobicContact CG1-CB 4.33Å; V55-F91 HydrophobicContact CG1-CD1 3.61Å; V55-F91 HydrophobicContact CG1-CE1 4.33Å; V55-F91 HydrophobicContact CG1-CG 4.35Å; V55-Q94 HydrophobicContact CG1-CB 3.73Å; V55-F95 HydrophobicContact CG2-CB 3.75Å; V55-F95 HydrophobicContact CG2-CD2 4.21Å; V55-F95 HydrophobicContact CG2-CG 4.47Å; V55-R330 HydrophobicContact CB-CB 4.38Å; V55-R330 HydrophobicContact CG2-CB 3.95Å
56	P	89.4	Confident	90.8	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.032	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.5	175.2	25.5	-34.8	0	0	0	112.2	V52 F53 F58 F63 F77 F91	V52-P56 WeakPolarHBondContact O-CD 3.47Å; F53-P56 WeakPolarHBondContact O-CD 3.5Å; F53-P56 WeakPolarHBondContact O-CG 3.33Å; P56-F58 PolarHBondContact O-N 2.79Å; P56-F63 HydrophobicContact CB-CD1 4.32Å; P56-F63 HydrophobicContact CB-CD2 4.18Å; P56-F63 HydrophobicContact CB-CE1 4.15Å; P56-F63 HydrophobicContact CB-CE2 4Å; P56-F63 HydrophobicContact CB-CG 4.35Å; P56-F63 HydrophobicContact CB-CZ 3.99Å; P56-F63 HydrophobicContact CG-CB 4.46Å; P56-F63 HydrophobicContact CG-CD1 3.89Å; P56-F63 HydrophobicContact CG-CD2 4.17Å; P56-F63 HydrophobicContact CG-CE1 4.18Å; P56-F63 HydrophobicContact CG-CE2 4.44Å; P56-F63 HydrophobicContact CG-CG 3.9Å; P56-F63 HydrophobicContact CG-CZ 4.44Å; P56-F77 HydrophobicContact CB-CE1 4.23Å; P56-F91 HydrophobicContact CB-CE1 4.35Å; P56-F91 HydrophobicContact CB-CZ 4.13Å; P56-F91 HydrophobicContact CG-CZ 4.5Å
57	S	89.5	Confident	90.4	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	8%	0.084	C	C	.	.			trans	50.6	37	178.2	-46.4	0	0	0	0	113.4	S54 V55 Y293 R294 R295	S54-S57 PolarHBondContact O-N 3.2Å; S54-S57 PolarHBondContact O-OG 2.85Å; V55-S57 PolarHBondContact O-N 2.95Å; V55-S57 PolarHBondContact O-OG 3.21Å; S57-Y293 CarbonylContact C-O 3.51Å; S57-Y293 VanDerWaalsContact CA-O 3.27Å; S57-Y293 WeakPolarHBondContact CA-O 3.3Å; S57-R294 WeakPolarHBondContact O-CA 3.31Å; S57-R295 PolarHBondContact O-N 2.88Å; S57-R295 PolarHBondContact OG-NH2 2.91Å
58	F	88	Confident	90.1	Very high	37 Å²	37	22.9 Å²	22.9	16%	0.162	10%	0.104	C	C	.	.			trans	-133.4	135	-170.7	-175.4	-97.2	0	0	0	111.9	P56 S60 F63 Y74 F77	P56-F58 PolarHBondContact O-N 2.79Å; F58-S60 PolarHBondContact O-N 2.86Å; F58-F63 HydrophobicContact CB-CD2 4.29Å; F58-F63 HydrophobicContact CB-CE2 4.12Å; F58-F63 HydrophobicContact CD1-CD2 4.33Å; F58-F63 AromaticContact CD1-CE2 3.98Å; F58-F63 HydrophobicContact CD1-CE2 3.98Å; F58-F63 WeakPolarHBondContact O-CD2 3.14Å; F58-Y74 HydrophobicContact CD1-CD1 4.15Å; F58-Y74 HydrophobicContact CD1-CE1 4.2Å; F58-Y74 HydrophobicContact CE1-CD1 4.37Å; F58-Y74 HydrophobicContact CE1-CE1 4.48Å; F58-F77 HydrophobicContact CB-CD1 4.33Å; F58-F77 HydrophobicContact CB-CE1 3.97Å; F58-F77 HydrophobicContact CB-CE2 4.25Å; F58-F77 HydrophobicContact CB-CZ 3.93Å; F58-F77 HydrophobicContact CD1-CB 4.28Å; F58-F77 HydrophobicContact CD1-CD1 4.23Å; F58-F77 HydrophobicContact CD1-CD2 4.39Å; F58-F77 HydrophobicContact CD1-CG 4.05Å; F58-F77 AromaticContact CD2-CD2 3.84Å; F58-F77 HydrophobicContact CD2-CD2 3.84Å; F58-F77 AromaticContact CD2-CE2 3.94Å; F58-F77 HydrophobicContact CD2-CE2 3.94Å; F58-F77 HydrophobicContact CD2-CG 4.33Å; F58-F77 HydrophobicContact CD2-CZ 4.48Å; F58-F77 HydrophobicContact CE1-CB 4.09Å; F58-F77 HydrophobicContact CE1-CG 4.3Å; F58-F77 HydrophobicContact CE2-CD2 4.09Å; F58-F77 HydrophobicContact CG-CD1 4.22Å; F58-F77 HydrophobicContact CG-CD2 4Å; F58-F77 HydrophobicContact CG-CE1 4.3Å; F58-F77 HydrophobicContact CG-CE2 4.11Å; F58-F77 HydrophobicContact CG-CG 4.06Å; F58-F77 HydrophobicContact CG-CZ 4.25Å; F58-F77 HydrophobicContact CZ-CB 4.37Å; F58-F77 HydrophobicContact CZ-CD2 4.46Å
59	G	85.1	Confident	89.7	Confident	20 Å²	20	27.2 Å²	27.2	21%	0.206	13%	0.125	C	C	.	.	S	Bend	trans	75.4	-78.2	171.7	0	0	0	0	0	113.9	Y74 R294	G59-Y74 WeakPolarHBondContact CA-OH 3.4Å; G59-R294 WeakPolarHBondContact O-CD 3.37Å
60	S	87.3	Confident	89.4	Confident	14 Å²	14	32.8 Å²	32.8	10%	0.098	16%	0.155	C	C	.	.			trans	-163.4	177.7	177.1	61.2	0	0	0	0	112.4	F58 W62 F63 Y66 S290	F58-S60 PolarHBondContact O-N 2.86Å; S60-W62 PolarHBondContact O-N 3.32Å; S60-W62 PolarHBondContact OG-N 2.83Å; S60-F63 PolarHBondContact O-N 2.85Å; S60-Y66 WeakPolarHBondContact OG-CE2 3.47Å; S60-S290 VanDerWaalsContact CA-OG 3.22Å; S60-S290 WeakPolarHBondContact CA-OG 3.37Å
61	E	85.3	Confident	89.3	Confident	11 Å²	11	36.4 Å²	36.4	5%	0.051	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.6	168	70.6	-61.7	150.3	0	0	114.2	F53 S290 W291 G292	F53-E61 HydrophobicContact CD2-CB 3.64Å; F53-E61 HydrophobicContact CE2-CB 3.75Å; F53-E61 HydrophobicContact CG-CB 4.05Å; F53-E61 HydrophobicContact CZ-CB 4.26Å; E61-S290 PolarHBondContact OE2-OG 3.47Å; E61-W291 HydrophobicContact CG-CB 4.16Å; E61-W291 WeakPolarHBondContact OE2-CB 3.21Å; E61-W291 PolarHBondContact OE2-N 2.79Å; E61-G292 PolarHBondContact OE2-N 3.4Å; E61-G292 VanDerWaalsContact OE2-N 3.17Å
62	W	88.8	Confident	89.2	Confident	88 Å²	88	40.6 Å²	40.6	33%	0.333	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	29.5	173	-62.7	3.5	0	0	0	112.1	S60 Y65 Y66 H123 E125 W175	S60-W62 PolarHBondContact O-N 3.32Å; S60-W62 PolarHBondContact OG-N 2.83Å; W62-Y65 PolarHBondContact O-N 3.12Å; W62-Y66 HydrophobicContact CB-CD2 4.03Å; W62-Y66 HydrophobicContact CB-CE2 3.79Å; W62-Y66 HydrophobicContact CE3-CE1 4.31Å; W62-Y66 HydrophobicContact CE3-CE2 4.38Å; W62-Y66 AromaticContact CE3-CZ 3.77Å; W62-Y66 VanDerWaalsContact O-CD2 3.26Å; W62-Y66 WeakPolarHBondContact O-CD2 3.47Å; W62-Y66 PolarHBondContact O-N 2.94Å; W62-H123 AromaticContact CD1-CE1 3.75Å; W62-H123 AromaticContact NE1-CE1 3.82Å; W62-E125 WeakPolarHBondContact CA-OE1 3.27Å; W62-W175 HydrophobicContact CB-CH2 4.31Å; W62-W175 HydrophobicContact CB-CZ3 4.38Å; W62-W175 AromaticContact CD1-CH2 3.64Å; W62-W175 AromaticContact CD2-CH2 3.68Å; W62-W175 HydrophobicContact CD2-CH2 3.68Å; W62-W175 HydrophobicContact CD2-CZ2 4.46Å; W62-W175 AromaticContact CE2-CH2 3.79Å; W62-W175 HydrophobicContact CE3-CH2 4.29Å; W62-W175 AromaticContact CG-CH2 3.64Å; W62-W175 HydrophobicContact CG-CH2 3.64Å; W62-W175 HydrophobicContact CG-CZ3 4.12Å; W62-W175 HydrophobicContact CZ2-CH2 4.49Å; W62-W175 AromaticContact NE1-CH2 3.77Å
63	F	89.5	Confident	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-54.5	-177.5	179.5	-90.1	0	0	0	113.5	P56 F58 S60 Y65 Y66 W67 Y74 F77 M78 Y88 F91 E125	P56-F63 HydrophobicContact CB-CD1 4.32Å; P56-F63 HydrophobicContact CB-CD2 4.18Å; P56-F63 HydrophobicContact CB-CE1 4.15Å; P56-F63 HydrophobicContact CB-CE2 4Å; P56-F63 HydrophobicContact CB-CG 4.35Å; P56-F63 HydrophobicContact CB-CZ 3.99Å; P56-F63 HydrophobicContact CG-CB 4.46Å; P56-F63 HydrophobicContact CG-CD1 3.89Å; P56-F63 HydrophobicContact CG-CD2 4.17Å; P56-F63 HydrophobicContact CG-CE1 4.18Å; P56-F63 HydrophobicContact CG-CE2 4.44Å; P56-F63 HydrophobicContact CG-CG 3.9Å; P56-F63 HydrophobicContact CG-CZ 4.44Å; F58-F63 HydrophobicContact CB-CD2 4.29Å; F58-F63 HydrophobicContact CB-CE2 4.12Å; F58-F63 HydrophobicContact CD1-CD2 4.33Å; F58-F63 AromaticContact CD1-CE2 3.98Å; F58-F63 HydrophobicContact CD1-CE2 3.98Å; F58-F63 WeakPolarHBondContact O-CD2 3.14Å; S60-F63 PolarHBondContact O-N 2.85Å; F63-Y65 VanDerWaalsContact C-N 3.33Å; F63-Y65 PolarHBondContact O-N 2.95Å; F63-Y66 PolarHBondContact O-N 3.34Å; F63-W67 HydrophobicContact CE1-CE3 4.24Å; F63-W67 VanDerWaalsContact O-CB 3.23Å; F63-W67 WeakPolarHBondContact O-CB 3.38Å; F63-W67 PolarHBondContact O-N 3.13Å; F63-Y74 AromaticContact CD2-CD1 3.5Å; F63-Y74 HydrophobicContact CD2-CD1 3.5Å; F63-Y74 VanDerWaalsContact CD2-CD1 3.5Å; F63-Y74 AromaticContact CD2-CE1 3.79Å; F63-Y74 HydrophobicContact CD2-CE1 3.79Å; F63-Y74 AromaticContact CE2-CD1 3.74Å; F63-Y74 HydrophobicContact CE2-CD1 3.74Å; F63-Y74 HydrophobicContact CE2-CE1 4.4Å; F63-Y74 HydrophobicContact CG-CD1 4.24Å; F63-F77 AromaticContact CE2-CD1 3.87Å; F63-F77 HydrophobicContact CE2-CD1 3.87Å; F63-F77 HydrophobicContact CE2-CE1 4.12Å; F63-F77 AromaticContact CZ-CD1 3.95Å; F63-F77 HydrophobicContact CZ-CD1 3.95Å; F63-F77 HydrophobicContact CZ-CE1 4.22Å; F63-M78 HydrophobicContact CE1-CG 4.28Å; F63-M78 HydrophobicContact CE1-SD 3.81Å; F63-M78 HydrophobicContact CZ-CG 3.84Å; F63-M78 HydrophobicContact CZ-SD 3.5Å; F63-M78 VanDerWaalsContact CZ-SD 3.5Å; F63-Y88 HydrophobicContact CD1-CD2 4.4Å; F63-Y88 HydrophobicContact CD1-CE2 4.22Å; F63-F91 HydrophobicContact CE1-CE2 4.08Å; F63-F91 HydrophobicContact CE1-CZ 4.43Å; F63-E125 PolarHBondContact N-OE1 2.89Å
64	W	89.9	Confident	89.2	Confident	23 Å²	23	47.6 Å²	47.6	9%	0.087	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-43.3	176.1	-165.6	11.7	0	0	0	111.7	W67 Q68 Y88 E125 F176	W64-W67 PolarHBondContact O-N 3.23Å; W64-Q68 HydrophobicContact CG-CG 4.48Å; W64-Q68 WeakPolarHBondContact O-CB 3.44Å; W64-Q68 VanDerWaalsContact O-CG 3.25Å; W64-Q68 WeakPolarHBondContact O-CG 3.25Å; W64-Q68 PolarHBondContact O-N 2.72Å; W64-Y88 HydrophobicContact CB-CD2 3.51Å; W64-Y88 HydrophobicContact CB-CE2 3.55Å; W64-Y88 HydrophobicContact CB-CG 4.05Å; W64-Y88 AromaticContact CD2-CD1 3.88Å; W64-Y88 HydrophobicContact CD2-CD1 3.88Å; W64-Y88 HydrophobicContact CD2-CD2 4.12Å; W64-Y88 HydrophobicContact CD2-CE1 4.42Å; W64-Y88 AromaticContact CD2-CG 3.69Å; W64-Y88 HydrophobicContact CD2-CG 3.69Å; W64-Y88 AromaticContact CE3-CD1 3.76Å; W64-Y88 HydrophobicContact CE3-CD1 3.76Å; W64-Y88 HydrophobicContact CE3-CE1 4.03Å; W64-Y88 HydrophobicContact CE3-CG 4.08Å; W64-Y88 HydrophobicContact CG-CD1 4.24Å; W64-Y88 AromaticContact CG-CD2 3.59Å; W64-Y88 HydrophobicContact CG-CD2 3.59Å; W64-Y88 HydrophobicContact CG-CE2 4.09Å; W64-Y88 AromaticContact CG-CG 3.64Å; W64-Y88 HydrophobicContact CG-CG 3.64Å; W64-Y88 HydrophobicContact CZ3-CD1 4.3Å; W64-E125 VanDerWaalsContact CA-OE1 3.26Å; W64-E125 WeakPolarHBondContact CA-OE1 3.47Å; W64-E125 HydrophobicContact CB-CG 3.4Å; W64-E125 WeakPolarHBondContact CB-OE1 3.49Å; W64-E125 HydrophobicContact CD2-CG 4.41Å; W64-E125 HydrophobicContact CE3-CG 3.89Å; W64-E125 HydrophobicContact CG-CG 4.3Å; W64-E125 WeakPolarHBondContact CZ3-O 3.36Å; W64-E125 PolarHBondContact N-OE1 3.27Å; W64-E125 PolarHBondContact N-OE2 3.28Å; W64-F176 HydrophobicContact CB-CE2 4.23Å; W64-F176 AromaticContact CD2-CD2 3.45Å; W64-F176 HydrophobicContact CD2-CD2 3.45Å; W64-F176 VanDerWaalsContact CD2-CD2 3.45Å; W64-F176 AromaticContact CD2-CE2 3.42Å; W64-F176 HydrophobicContact CD2-CE2 3.42Å; W64-F176 VanDerWaalsContact CD2-CE2 3.42Å; W64-F176 HydrophobicContact CD2-CG 4.18Å; W64-F176 HydrophobicContact CD2-CZ 4.17Å; W64-F176 AromaticContact CE2-CD2 3.66Å; W64-F176 AromaticContact CE2-CE2 3.82Å; W64-F176 AromaticContact CE2-CG 3.9Å; W64-F176 AromaticContact CE3-CD2 3.22Å; W64-F176 HydrophobicContact CE3-CD2 3.22Å; W64-F176 AromaticContact CE3-CE2 3.57Å; W64-F176 HydrophobicContact CE3-CE2 3.57Å; W64-F176 HydrophobicContact CE3-CG 4.09Å; W64-F176 HydrophobicContact CG-CD2 4.29Å; W64-F176 AromaticContact CG-CE2 3.76Å; W64-F176 HydrophobicContact CG-CE2 3.76Å; W64-F176 HydrophobicContact CG-CZ 4.24Å; W64-F176 HydrophobicContact CH2-CB 3.24Å; W64-F176 HydrophobicContact CH2-CD1 4.44Å; W64-F176 AromaticContact CH2-CD2 3.49Å; W64-F176 HydrophobicContact CH2-CD2 3.49Å; W64-F176 VanDerWaalsContact CH2-CD2 3.49Å; W64-F176 HydrophobicContact CH2-CE2 4.43Å; W64-F176 AromaticContact CH2-CG 3.47Å; W64-F176 HydrophobicContact CH2-CG 3.47Å; W64-F176 VanDerWaalsContact CH2-CG 3.47Å; W64-F176 HydrophobicContact CZ2-CB 3.72Å; W64-F176 HydrophobicContact CZ2-CD1 4.12Å; W64-F176 AromaticContact CZ2-CD2 3.7Å; W64-F176 HydrophobicContact CZ2-CD2 3.7Å; W64-F176 HydrophobicContact CZ2-CE2 4.32Å; W64-F176 AromaticContact CZ2-CG 3.55Å; W64-F176 HydrophobicContact CZ2-CG 3.55Å; W64-F176 HydrophobicContact CZ3-CB 3.72Å; W64-F176 AromaticContact CZ3-CD2 3.23Å; W64-F176 HydrophobicContact CZ3-CD2 3.23Å; W64-F176 HydrophobicContact CZ3-CE2 4.07Å; W64-F176 AromaticContact CZ3-CG 3.73Å; W64-F176 HydrophobicContact CZ3-CG 3.73Å
65	Y	89.4	Confident	89.2	Confident	75 Å²	75	48.6 Å²	48.6	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-50.4	179.3	-176.5	-102.1	0	0	0	111.9	W62 F63 W67 Q68 Q69 E125 W175 F176	W62-Y65 PolarHBondContact O-N 3.12Å; F63-Y65 VanDerWaalsContact C-N 3.33Å; F63-Y65 PolarHBondContact O-N 2.95Å; Y65-W67 VanDerWaalsContact C-N 3.31Å; Y65-W67 PolarHBondContact O-N 3.05Å; Y65-Q68 PolarHBondContact O-N 3.2Å; Y65-Q69 HydrophobicContact CE1-CG 4.26Å; Y65-Q69 WeakPolarHBondContact O-CG 3.23Å; Y65-Q69 PolarHBondContact O-N 3.02Å; Y65-Q69 PolarHBondContact OH-NE2 2.97Å; Y65-E125 PolarHBondContact N-OE1 3.07Å; Y65-W175 VanDerWaalsContact CB-CZ3 3.42Å; Y65-W175 AromaticContact CD2-CD2 3.74Å; Y65-W175 HydrophobicContact CD2-CD2 3.74Å; Y65-W175 AromaticContact CD2-CE3 3.69Å; Y65-W175 HydrophobicContact CD2-CE3 3.69Å; Y65-W175 HydrophobicContact CD2-CG 4.22Å; Y65-W175 HydrophobicContact CD2-CH2 4.46Å; Y65-W175 HydrophobicContact CD2-CZ2 4.5Å; Y65-W175 HydrophobicContact CD2-CZ3 4.08Å; Y65-W175 HydrophobicContact CE2-CD2 4.3Å; Y65-W175 HydrophobicContact CG-CD2 4.35Å; Y65-W175 AromaticContact CG-CE3 3.92Å; Y65-W175 HydrophobicContact CG-CE3 3.92Å; Y65-W175 HydrophobicContact CG-CH2 4.19Å; Y65-W175 AromaticContact CG-CZ3 3.84Å; Y65-W175 HydrophobicContact CG-CZ3 3.84Å; Y65-F176 HydrophobicContact CD2-CZ 4.41Å
66	Y	89.8	Confident	89.2	Confident	46 Å²	46	53.1 Å²	53.1	18%	0.18	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-30.7	177.7	-67.9	-36.7	0	0	0	113.7	S60 W62 F63 Q69 K71 Y74	S60-Y66 WeakPolarHBondContact OG-CE2 3.47Å; W62-Y66 HydrophobicContact CB-CD2 4.03Å; W62-Y66 HydrophobicContact CB-CE2 3.79Å; W62-Y66 HydrophobicContact CE3-CE1 4.31Å; W62-Y66 HydrophobicContact CE3-CE2 4.38Å; W62-Y66 AromaticContact CE3-CZ 3.77Å; W62-Y66 VanDerWaalsContact O-CD2 3.26Å; W62-Y66 WeakPolarHBondContact O-CD2 3.47Å; W62-Y66 PolarHBondContact O-N 2.94Å; F63-Y66 PolarHBondContact O-N 3.34Å; Y66-Q69 PolarHBondContact O-N 2.82Å; Y66-K71 HydrophobicContact CD1-CD 3.7Å; Y66-K71 HydrophobicContact CE1-CD 4.45Å; Y66-K71 HydrophobicContact CG-CD 3.92Å; Y66-K71 WeakPolarHBondContact O-CB 3.46Å; Y66-K71 PolarHBondContact O-N 3.4Å; Y66-K71 VanDerWaalsContact O-N 3.12Å; Y66-Y74 HydrophobicContact CD2-CE1 4.1Å; Y66-Y74 AromaticContact CD2-CE2 3.9Å; Y66-Y74 HydrophobicContact CD2-CE2 3.9Å; Y66-Y74 AromaticContact CD2-CZ 3.52Å; Y66-Y74 WeakPolarHBondContact CD2-OH 3.37Å; Y66-Y74 HydrophobicContact CG-CE2 4.05Å
67	W	88.6	Confident	89.3	Confident	38 Å²	38	54.9 Å²	54.9	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-43.5	173.1	-178.3	28.8	0	0	0	111.7	F63 W64 Y65 Q69 N70 M78 F86	F63-W67 HydrophobicContact CE1-CE3 4.24Å; F63-W67 VanDerWaalsContact O-CB 3.23Å; F63-W67 WeakPolarHBondContact O-CB 3.38Å; F63-W67 PolarHBondContact O-N 3.13Å; W64-W67 PolarHBondContact O-N 3.23Å; Y65-W67 VanDerWaalsContact C-N 3.31Å; Y65-W67 PolarHBondContact O-N 3.05Å; W67-Q69 VanDerWaalsContact C-N 3.3Å; W67-Q69 PolarHBondContact O-N 3.47Å; W67-N70 PolarHBondContact O-N 2.65Å; W67-M78 HydrophobicContact CD2-CG 3.94Å; W67-M78 HydrophobicContact CE3-CE 4.49Å; W67-M78 HydrophobicContact CG-CG 4.24Å; W67-M78 HydrophobicContact CH2-CE 3.62Å; W67-M78 HydrophobicContact CZ2-CB 4.34Å; W67-M78 HydrophobicContact CZ2-CE 3.81Å; W67-M78 HydrophobicContact CZ2-CG 4.06Å; W67-M78 HydrophobicContact CZ3-CE 3.98Å; W67-F86 VanDerWaalsContact CH2-O 3.31Å; W67-F86 WeakPolarHBondContact CH2-O 3.42Å
68	Q	89	Confident	89.4	Confident	93 Å²	93	55.2 Å²	55.2	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-68.6	-27.6	176.2	-68	-69	-43.5	0	0	112.7	W64 Y65 N70 F176	W64-Q68 HydrophobicContact CG-CG 4.48Å; W64-Q68 WeakPolarHBondContact O-CB 3.44Å; W64-Q68 VanDerWaalsContact O-CG 3.25Å; W64-Q68 WeakPolarHBondContact O-CG 3.25Å; W64-Q68 PolarHBondContact O-N 2.72Å; Y65-Q68 PolarHBondContact O-N 3.2Å; Q68-N70 PolarHBondContact O-N 2.79Å; Q68-F176 HydrophobicContact CB-CE1 3.88Å; Q68-F176 HydrophobicContact CB-CZ 3.91Å; Q68-F176 HydrophobicContact CG-CE1 3.6Å; Q68-F176 HydrophobicContact CG-CZ 3.65Å
69	Q	88.9	Confident	89.5	Confident	92 Å²	92	61.1 Å²	61.1	43%	0.43	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	3.8	169	-72.2	-166.3	-10.2	0	0	114.1	Y65 Y66 W67 K71	Y65-Q69 HydrophobicContact CE1-CG 4.26Å; Y65-Q69 WeakPolarHBondContact O-CG 3.23Å; Y65-Q69 PolarHBondContact O-N 3.02Å; Y65-Q69 PolarHBondContact OH-NE2 2.97Å; Y66-Q69 PolarHBondContact O-N 2.82Å; W67-Q69 VanDerWaalsContact C-N 3.3Å; W67-Q69 PolarHBondContact O-N 3.47Å; Q69-K71 HydrophobicContact CB-CG 4.39Å; Q69-K71 PolarHBondContact O-N 3.3Å
70	N	88.9	Confident	89.9	Confident	123 Å²	123	68.7 Å²	68.7	66%	0.658	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	33	-177.2	-65	-62.6	0	0	0	113.8	W67 Q68 P72 V75	W67-N70 PolarHBondContact O-N 2.65Å; Q68-N70 PolarHBondContact O-N 2.79Å; N70-P72 WeakPolarHBondContact O-CD 3.26Å; N70-V75 HydrophobicContact CB-CG2 4.5Å
71	K	90.3	Very high	90	Very high	79 Å²	79	72.3 Å²	72.3	34%	0.343	34%	0.339	S	S	.	.			trans	-62.2	126.7	174.5	-72.8	-162.3	179.1	177.6	0	109.8	Y66 Q69 E73 Y74 V75	Y66-K71 HydrophobicContact CD1-CD 3.7Å; Y66-K71 HydrophobicContact CE1-CD 4.45Å; Y66-K71 HydrophobicContact CG-CD 3.92Å; Y66-K71 WeakPolarHBondContact O-CB 3.46Å; Y66-K71 PolarHBondContact O-N 3.4Å; Y66-K71 VanDerWaalsContact O-N 3.12Å; Q69-K71 HydrophobicContact CB-CG 4.39Å; Q69-K71 PolarHBondContact O-N 3.3Å; K71-E73 VanDerWaalsContact C-N 3.29Å; K71-E73 PolarHBondContact O-N 2.87Å; K71-E73 VanDerWaalsContact O-N 3.16Å; K71-Y74 HydrophobicContact CB-CD2 3.79Å; K71-Y74 HydrophobicContact CB-CE2 4.49Å; K71-Y74 HydrophobicContact CD-CD2 4.47Å; K71-Y74 HydrophobicContact CD-CE2 4.39Å; K71-Y74 PolarHBondContact O-N 3.42Å; K71-Y74 VanDerWaalsContact O-N 3.17Å; K71-V75 WeakPolarHBondContact O-CG2 3.23Å; K71-V75 PolarHBondContact O-N 3.32Å; K71-V75 VanDerWaalsContact O-N 3.09Å
72	P	91.4	Very high	90.3	Very high	93 Å²	93	74 Å²	74	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-54.7	-40.1	-170.9	-29.5	34.5	0	0	0	114.5	N70 Y74 N76	N70-P72 WeakPolarHBondContact O-CD 3.26Å; P72-Y74 PolarHBondContact O-N 2.82Å; P72-N76 WeakPolarHBondContact O-CB 3.49Å; P72-N76 PolarHBondContact O-N 3.27Å; P72-N76 PolarHBondContact O-ND2 3.38Å
73	E	91.3	Very high	90.3	Very high	139 Å²	139	73.9 Å²	73.9	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-46.4	-178.9	-64.8	175.1	-160.7	0	0	112.5	K71 F77	K71-E73 VanDerWaalsContact C-N 3.29Å; K71-E73 PolarHBondContact O-N 2.87Å; K71-E73 VanDerWaalsContact O-N 3.16Å; E73-F77 WeakPolarHBondContact O-CB 3.28Å; E73-F77 PolarHBondContact O-N 3.07Å
74	Y	90.4	Very high	89.9	Confident	18 Å²	18	80.5 Å²	80.5	7%	0.071	40%	0.399	C	S	.	.	H	α-helix	trans	-72.3	-42.8	-178.4	-65.2	-96.2	0	0	0	111.2	F58 G59 F63 Y66 K71 P72 F77 M78	F58-Y74 HydrophobicContact CD1-CD1 4.15Å; F58-Y74 HydrophobicContact CD1-CE1 4.2Å; F58-Y74 HydrophobicContact CE1-CD1 4.37Å; F58-Y74 HydrophobicContact CE1-CE1 4.48Å; G59-Y74 WeakPolarHBondContact CA-OH 3.4Å; F63-Y74 AromaticContact CD2-CD1 3.5Å; F63-Y74 HydrophobicContact CD2-CD1 3.5Å; F63-Y74 VanDerWaalsContact CD2-CD1 3.5Å; F63-Y74 AromaticContact CD2-CE1 3.79Å; F63-Y74 HydrophobicContact CD2-CE1 3.79Å; F63-Y74 AromaticContact CE2-CD1 3.74Å; F63-Y74 HydrophobicContact CE2-CD1 3.74Å; F63-Y74 HydrophobicContact CE2-CE1 4.4Å; F63-Y74 HydrophobicContact CG-CD1 4.24Å; Y66-Y74 HydrophobicContact CD2-CE1 4.1Å; Y66-Y74 AromaticContact CD2-CE2 3.9Å; Y66-Y74 HydrophobicContact CD2-CE2 3.9Å; Y66-Y74 AromaticContact CD2-CZ 3.52Å; Y66-Y74 WeakPolarHBondContact CD2-OH 3.37Å; Y66-Y74 HydrophobicContact CG-CE2 4.05Å; K71-Y74 HydrophobicContact CB-CD2 3.79Å; K71-Y74 HydrophobicContact CB-CE2 4.49Å; K71-Y74 HydrophobicContact CD-CD2 4.47Å; K71-Y74 HydrophobicContact CD-CE2 4.39Å; K71-Y74 PolarHBondContact O-N 3.42Å; K71-Y74 VanDerWaalsContact O-N 3.17Å; P72-Y74 PolarHBondContact O-N 2.82Å; Y74-F77 PolarHBondContact O-N 3.2Å; Y74-M78 WeakPolarHBondContact O-CG 3.43Å; Y74-M78 PolarHBondContact O-N 3.35Å
75	V	91.1	Very high	89.7	Confident	21 Å²	21	87.2 Å²	87.2	13%	0.127	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-43.5	177.1	175.5	0	0	0	0	111.2	N70 K71 M78 K79	N70-V75 HydrophobicContact CB-CG2 4.5Å; K71-V75 WeakPolarHBondContact O-CG2 3.23Å; K71-V75 PolarHBondContact O-N 3.32Å; K71-V75 VanDerWaalsContact O-N 3.09Å; V75-M78 PolarHBondContact O-N 2.99Å; V75-K79 HydrophobicContact CG1-CD 4Å; V75-K79 HydrophobicContact CG1-CG 4.4Å; V75-K79 WeakPolarHBondContact O-CB 3.07Å; V75-K79 WeakPolarHBondContact O-CG 3.42Å; V75-K79 PolarHBondContact O-N 2.95Å
76	N	91.9	Very high	89.7	Confident	98 Å²	98	84.9 Å²	84.9	52%	0.524	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-39.1	178	-71.7	-20.3	0	0	0	111.5	P72 M78 K79 K80	P72-N76 WeakPolarHBondContact O-CB 3.49Å; P72-N76 PolarHBondContact O-N 3.27Å; P72-N76 PolarHBondContact O-ND2 3.38Å; N76-M78 VanDerWaalsContact C-N 3.35Å; N76-K79 PolarHBondContact O-N 3.26Å; N76-K80 VanDerWaalsContact O-CB 3.24Å; N76-K80 WeakPolarHBondContact O-CB 3.41Å; N76-K80 PolarHBondContact O-N 2.87Å
77	F	90.9	Very high	89.6	Confident	42 Å²	42	87.5 Å²	87.5	18%	0.184	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-45.8	173	177.9	-97.8	0	0	0	111.4	P56 F58 F63 E73 Y74 K80 N81 Y82	P56-F77 HydrophobicContact CB-CE1 4.23Å; F58-F77 HydrophobicContact CB-CD1 4.33Å; F58-F77 HydrophobicContact CB-CE1 3.97Å; F58-F77 HydrophobicContact CB-CE2 4.25Å; F58-F77 HydrophobicContact CB-CZ 3.93Å; F58-F77 HydrophobicContact CD1-CB 4.28Å; F58-F77 HydrophobicContact CD1-CD1 4.23Å; F58-F77 HydrophobicContact CD1-CD2 4.39Å; F58-F77 HydrophobicContact CD1-CG 4.05Å; F58-F77 AromaticContact CD2-CD2 3.84Å; F58-F77 HydrophobicContact CD2-CD2 3.84Å; F58-F77 AromaticContact CD2-CE2 3.94Å; F58-F77 HydrophobicContact CD2-CE2 3.94Å; F58-F77 HydrophobicContact CD2-CG 4.33Å; F58-F77 HydrophobicContact CD2-CZ 4.48Å; F58-F77 HydrophobicContact CE1-CB 4.09Å; F58-F77 HydrophobicContact CE1-CG 4.3Å; F58-F77 HydrophobicContact CE2-CD2 4.09Å; F58-F77 HydrophobicContact CG-CD1 4.22Å; F58-F77 HydrophobicContact CG-CD2 4Å; F58-F77 HydrophobicContact CG-CE1 4.3Å; F58-F77 HydrophobicContact CG-CE2 4.11Å; F58-F77 HydrophobicContact CG-CG 4.06Å; F58-F77 HydrophobicContact CG-CZ 4.25Å; F58-F77 HydrophobicContact CZ-CB 4.37Å; F58-F77 HydrophobicContact CZ-CD2 4.46Å; F63-F77 AromaticContact CE2-CD1 3.87Å; F63-F77 HydrophobicContact CE2-CD1 3.87Å; F63-F77 HydrophobicContact CE2-CE1 4.12Å; F63-F77 AromaticContact CZ-CD1 3.95Å; F63-F77 HydrophobicContact CZ-CD1 3.95Å; F63-F77 HydrophobicContact CZ-CE1 4.22Å; E73-F77 WeakPolarHBondContact O-CB 3.28Å; E73-F77 PolarHBondContact O-N 3.07Å; Y74-F77 PolarHBondContact O-N 3.2Å; F77-K80 PolarHBondContact O-N 3.45Å; F77-N81 VanDerWaalsContact CD2-ND2 3.33Å; F77-N81 WeakPolarHBondContact CD2-ND2 3.38Å; F77-N81 PolarHBondContact O-N 3.22Å; F77-N81 VanDerWaalsContact O-N 3.14Å; F77-N81 PolarHBondContact O-ND2 3.41Å; F77-Y82 HydrophobicContact CD1-CE2 4.33Å; F77-Y82 AromaticContact CE1-CE2 3.71Å; F77-Y82 HydrophobicContact CE1-CE2 3.71Å; F77-Y82 HydrophobicContact CZ-CE2 4.27Å
78	M	91.8	Very high	89.6	Confident	9 Å²	9	85.8 Å²	85.8	4%	0.044	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-49.4	177.3	-72.4	-57	-70	0	0	112.1	F63 W67 Y74 V75 N76 K80 N81 Y82 F86 F91	F63-M78 HydrophobicContact CE1-CG 4.28Å; F63-M78 HydrophobicContact CE1-SD 3.81Å; F63-M78 HydrophobicContact CZ-CG 3.84Å; F63-M78 HydrophobicContact CZ-SD 3.5Å; F63-M78 VanDerWaalsContact CZ-SD 3.5Å; W67-M78 HydrophobicContact CD2-CG 3.94Å; W67-M78 HydrophobicContact CE3-CE 4.49Å; W67-M78 HydrophobicContact CG-CG 4.24Å; W67-M78 HydrophobicContact CH2-CE 3.62Å; W67-M78 HydrophobicContact CZ2-CB 4.34Å; W67-M78 HydrophobicContact CZ2-CE 3.81Å; W67-M78 HydrophobicContact CZ2-CG 4.06Å; W67-M78 HydrophobicContact CZ3-CE 3.98Å; Y74-M78 WeakPolarHBondContact O-CG 3.43Å; Y74-M78 PolarHBondContact O-N 3.35Å; V75-M78 PolarHBondContact O-N 2.99Å; N76-M78 VanDerWaalsContact C-N 3.35Å; M78-K80 VanDerWaalsContact C-N 3.25Å; M78-K80 PolarHBondContact O-N 2.92Å; M78-N81 PolarHBondContact O-N 2.91Å; M78-Y82 HydrophobicContact CE-CD2 3.8Å; M78-Y82 HydrophobicContact CE-CE2 4.48Å; M78-Y82 HydrophobicContact CE-CG 3.88Å; M78-Y82 WeakPolarHBondContact O-CB 3.02Å; M78-Y82 PolarHBondContact O-N 3Å; M78-Y82 HydrophobicContact SD-CD2 3.45Å; M78-Y82 WeakPolarHBondContact SD-CD2 3.22Å; M78-Y82 HydrophobicContact SD-CE2 3.79Å; M78-Y82 HydrophobicContact SD-CG 4.16Å; M78-F86 HydrophobicContact CE-CD1 3.56Å; M78-F86 HydrophobicContact CE-CE1 4.17Å; M78-F86 HydrophobicContact CE-CG 4.4Å; M78-F91 HydrophobicContact CE-CE2 4.07Å; M78-F91 HydrophobicContact CE-CZ 3.8Å; M78-F91 HydrophobicContact SD-CE2 4.37Å; M78-F91 HydrophobicContact SD-CZ 3.9Å
79	K	90.6	Very high	89.7	Confident	161 Å²	161	85.4 Å²	85.4	70%	0.7	43%	0.429	S	S	*	.	H	α-helix	trans	-60.4	-32.1	178.7	-74.4	177.8	178.8	178.2	0	113.8	V75 N76	V75-K79 HydrophobicContact CG1-CD 4Å; V75-K79 HydrophobicContact CG1-CG 4.4Å; V75-K79 WeakPolarHBondContact O-CB 3.07Å; V75-K79 WeakPolarHBondContact O-CG 3.42Å; V75-K79 PolarHBondContact O-N 2.95Å; N76-K79 PolarHBondContact O-N 3.26Å
80	K	92.4	Very high	89.7	Confident	179 Å²	179	84.5 Å²	84.5	78%	0.778	43%	0.427	S	S	*	.	H	α-helix	trans	-80.9	-36.7	-177.6	-175.2	179.4	177.9	-177.4	0	112.7	N76 F77 M78	N76-K80 VanDerWaalsContact O-CB 3.24Å; N76-K80 WeakPolarHBondContact O-CB 3.41Å; N76-K80 PolarHBondContact O-N 2.87Å; F77-K80 PolarHBondContact O-N 3.45Å; M78-K80 VanDerWaalsContact C-N 3.25Å; M78-K80 PolarHBondContact O-N 2.92Å
81	N	90.4	Very high	89.8	Confident	91 Å²	91	78.7 Å²	78.7	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-110.2	-17.2	-167.7	-59.1	-76.5	0	0	0	114	F77 M78	F77-N81 VanDerWaalsContact CD2-ND2 3.33Å; F77-N81 WeakPolarHBondContact CD2-ND2 3.38Å; F77-N81 PolarHBondContact O-N 3.22Å; F77-N81 VanDerWaalsContact O-N 3.14Å; F77-N81 PolarHBondContact O-ND2 3.41Å; M78-N81 PolarHBondContact O-N 2.91Å
82	Y	90.4	Very high	89.8	Confident	45 Å²	45	75 Å²	75	18%	0.176	38%	0.379	C	S	.	.	S	Bend	trans	-126.3	154.2	-175.2	-61	-86	0	0	0	112.1	F77 M78 F86 F91	F77-Y82 HydrophobicContact CD1-CE2 4.33Å; F77-Y82 AromaticContact CE1-CE2 3.71Å; F77-Y82 HydrophobicContact CE1-CE2 3.71Å; F77-Y82 HydrophobicContact CZ-CE2 4.27Å; M78-Y82 HydrophobicContact CE-CD2 3.8Å; M78-Y82 HydrophobicContact CE-CE2 4.48Å; M78-Y82 HydrophobicContact CE-CG 3.88Å; M78-Y82 WeakPolarHBondContact O-CB 3.02Å; M78-Y82 PolarHBondContact O-N 3Å; M78-Y82 HydrophobicContact SD-CD2 3.45Å; M78-Y82 WeakPolarHBondContact SD-CD2 3.22Å; M78-Y82 HydrophobicContact SD-CE2 3.79Å; M78-Y82 HydrophobicContact SD-CG 4.16Å; Y82-F86 HydrophobicContact CD1-CD1 4.2Å; Y82-F86 HydrophobicContact CD1-CD2 4.12Å; Y82-F86 HydrophobicContact CD1-CE1 4.08Å; Y82-F86 AromaticContact CD1-CE2 3.98Å; Y82-F86 HydrophobicContact CD1-CE2 3.98Å; Y82-F86 HydrophobicContact CD1-CG 4.22Å; Y82-F86 AromaticContact CD1-CZ 3.95Å; Y82-F86 HydrophobicContact CD1-CZ 3.95Å; Y82-F86 HydrophobicContact CE1-CE1 4.5Å; Y82-F86 HydrophobicContact CE1-CZ 4.27Å; Y82-F86 HydrophobicContact CG-CD1 4.38Å; Y82-F86 HydrophobicContact CG-CG 4.41Å; Y82-F91 HydrophobicContact CD1-CE1 4.13Å; Y82-F91 HydrophobicContact CD1-CZ 4.41Å; Y82-F91 HydrophobicContact CE1-CD1 4.46Å; Y82-F91 AromaticContact CE1-CE1 3.43Å; Y82-F91 HydrophobicContact CE1-CE1 3.43Å; Y82-F91 VanDerWaalsContact CE1-CE1 3.43Å; Y82-F91 AromaticContact CE1-CZ 4Å; Y82-F91 HydrophobicContact CE1-CZ 4Å; Y82-F91 HydrophobicContact CE2-CE1 4.28Å; Y82-F91 HydrophobicContact CE2-CZ 4.17Å; Y82-F91 AromaticContact CZ-CE1 3.5Å; Y82-F91 VanDerWaalsContact CZ-CE1 3.5Å; Y82-F91 AromaticContact CZ-CZ 3.85Å
83	P	89.1	Confident	89.7	Confident	86 Å²	86	74.3 Å²	74.3	56%	0.558	38%	0.375	S	S	*	.			trans	-57.3	153	174.9	-24.3	34.1	0	0	0	113	E85 F86	P83-E85 PolarHBondContact O-N 3Å; P83-E85 VanDerWaalsContact O-N 3.14Å; P83-F86 WeakPolarHBondContact O-CB 3.45Å; P83-F86 PolarHBondContact O-N 3.49Å; P83-F86 VanDerWaalsContact O-N 3.12Å
84	P	81.4	Confident	89.7	Confident	139 Å²	139	70.6 Å²	70.6	90%	0.903	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	-174.8	23.8	-33.9	0	0	0	115
85	E	84.6	Confident	89.8	Confident	164 Å²	164	69.8 Å²	69.8	77%	0.766	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.2	179.7	-62.2	-174	163.1	0	0	113.5	P83 Q87	P83-E85 PolarHBondContact O-N 3Å; P83-E85 VanDerWaalsContact O-N 3.14Å; E85-Q87 PolarHBondContact O-N 3.01Å; E85-Q87 PolarHBondContact O-NE2 3.23Å
86	F	89.8	Confident	89.8	Confident	26 Å²	26	71.4 Å²	71.4	11%	0.114	37%	0.365	C	S	.	.			trans	-60.8	127	-175.9	-165.8	-84.2	0	0	0	111	W67 M78 Y82 P83 D90 F91 Q94	W67-F86 VanDerWaalsContact CH2-O 3.31Å; W67-F86 WeakPolarHBondContact CH2-O 3.42Å; M78-F86 HydrophobicContact CE-CD1 3.56Å; M78-F86 HydrophobicContact CE-CE1 4.17Å; M78-F86 HydrophobicContact CE-CG 4.4Å; Y82-F86 HydrophobicContact CD1-CD1 4.2Å; Y82-F86 HydrophobicContact CD1-CD2 4.12Å; Y82-F86 HydrophobicContact CD1-CE1 4.08Å; Y82-F86 AromaticContact CD1-CE2 3.98Å; Y82-F86 HydrophobicContact CD1-CE2 3.98Å; Y82-F86 HydrophobicContact CD1-CG 4.22Å; Y82-F86 AromaticContact CD1-CZ 3.95Å; Y82-F86 HydrophobicContact CD1-CZ 3.95Å; Y82-F86 HydrophobicContact CE1-CE1 4.5Å; Y82-F86 HydrophobicContact CE1-CZ 4.27Å; Y82-F86 HydrophobicContact CG-CD1 4.38Å; Y82-F86 HydrophobicContact CG-CG 4.41Å; P83-F86 WeakPolarHBondContact O-CB 3.45Å; P83-F86 PolarHBondContact O-N 3.49Å; P83-F86 VanDerWaalsContact O-N 3.12Å; F86-D90 HydrophobicContact CD1-CB 4.32Å; F86-D90 HydrophobicContact CD2-CB 3.98Å; F86-D90 HydrophobicContact CE1-CB 3.88Å; F86-D90 HydrophobicContact CE2-CB 3.52Å; F86-D90 HydrophobicContact CG-CB 4.36Å; F86-D90 HydrophobicContact CZ-CB 3.46Å; F86-D90 VanDerWaalsContact CZ-CB 3.46Å; F86-F91 HydrophobicContact CD1-CE2 4.32Å; F86-F91 HydrophobicContact CD1-CZ 4.17Å; F86-F91 AromaticContact CE1-CD1 3.68Å; F86-F91 HydrophobicContact CE1-CD1 3.68Å; F86-F91 AromaticContact CE1-CD2 3.82Å; F86-F91 HydrophobicContact CE1-CD2 3.82Å; F86-F91 AromaticContact CE1-CE1 3.45Å; F86-F91 HydrophobicContact CE1-CE1 3.45Å; F86-F91 VanDerWaalsContact CE1-CE1 3.45Å; F86-F91 AromaticContact CE1-CE2 3.58Å; F86-F91 HydrophobicContact CE1-CE2 3.58Å; F86-F91 AromaticContact CE1-CG 3.86Å; F86-F91 HydrophobicContact CE1-CG 3.86Å; F86-F91 AromaticContact CE1-CZ 3.39Å; F86-F91 HydrophobicContact CE1-CZ 3.39Å; F86-F91 AromaticContact CZ-CD1 3.67Å; F86-F91 HydrophobicContact CZ-CD1 3.67Å; F86-F91 AromaticContact CZ-CE1 3.68Å; F86-F91 HydrophobicContact CZ-CE1 3.68Å; F86-F91 HydrophobicContact CZ-CG 4.12Å; F86-F91 HydrophobicContact CZ-CZ 4.12Å; F86-Q94 VanDerWaalsContact CZ-NE2 3.32Å
87	Q	89.3	Confident	89.9	Confident	102 Å²	102	66.8 Å²	66.8	48%	0.477	34%	0.34	S	S	.	.			trans	-102.1	162	176.4	-58.6	-56.5	-53.9	0	0	110.7	E85 Q89 D90	E85-Q87 PolarHBondContact O-N 3.01Å; E85-Q87 PolarHBondContact O-NE2 3.23Å; Q87-Q89 PolarHBondContact O-N 2.85Å; Q87-D90 PolarHBondContact N-OD2 3.44Å; Q87-D90 WeakPolarHBondContact O-CB 3.4Å; Q87-D90 PolarHBondContact O-N 3.33Å; Q87-D90 VanDerWaalsContact O-N 3.12Å
88	Y	88.2	Confident	89.9	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-61.2	-32	176.5	-173.2	-91.2	0	0	0	111.9	V52 F53 F63 W64 D90 F91 E125 A126	V52-Y88 HydrophobicContact CB-CE1 4.33Å; V52-Y88 HydrophobicContact CG1-CE1 3.89Å; F53-Y88 PolarHBondContact N-OH 3.36Å; F63-Y88 HydrophobicContact CD1-CD2 4.4Å; F63-Y88 HydrophobicContact CD1-CE2 4.22Å; W64-Y88 HydrophobicContact CB-CD2 3.51Å; W64-Y88 HydrophobicContact CB-CE2 3.55Å; W64-Y88 HydrophobicContact CB-CG 4.05Å; W64-Y88 AromaticContact CD2-CD1 3.88Å; W64-Y88 HydrophobicContact CD2-CD1 3.88Å; W64-Y88 HydrophobicContact CD2-CD2 4.12Å; W64-Y88 HydrophobicContact CD2-CE1 4.42Å; W64-Y88 AromaticContact CD2-CG 3.69Å; W64-Y88 HydrophobicContact CD2-CG 3.69Å; W64-Y88 AromaticContact CE3-CD1 3.76Å; W64-Y88 HydrophobicContact CE3-CD1 3.76Å; W64-Y88 HydrophobicContact CE3-CE1 4.03Å; W64-Y88 HydrophobicContact CE3-CG 4.08Å; W64-Y88 HydrophobicContact CG-CD1 4.24Å; W64-Y88 AromaticContact CG-CD2 3.59Å; W64-Y88 HydrophobicContact CG-CD2 3.59Å; W64-Y88 HydrophobicContact CG-CE2 4.09Å; W64-Y88 AromaticContact CG-CG 3.64Å; W64-Y88 HydrophobicContact CG-CG 3.64Å; W64-Y88 HydrophobicContact CZ3-CD1 4.3Å; Y88-D90 PolarHBondContact O-N 3.37Å; Y88-F91 AromaticContact CD2-CD2 3.78Å; Y88-F91 HydrophobicContact CD2-CD2 3.78Å; Y88-F91 HydrophobicContact CD2-CE2 4.13Å; Y88-F91 HydrophobicContact CE2-CD2 4.2Å; Y88-F91 HydrophobicContact CG-CD2 4.2Å; Y88-F91 VanDerWaalsContact O-CB 3.32Å; Y88-F91 WeakPolarHBondContact O-CB 3.44Å; Y88-F91 WeakPolarHBondContact O-CD2 3.09Å; Y88-F91 PolarHBondContact O-N 3.48Å; Y88-E125 HydrophobicContact CE2-CG 4.5Å; Y88-E125 WeakPolarHBondContact CE2-OE2 3.17Å; Y88-E125 PolarHBondContact OH-OE2 3.1Å; Y88-A126 HydrophobicContact CE1-CB 3.67Å
89	Q	89.6	Confident	90	Very high	86 Å²	86	76.8 Å²	76.8	40%	0.402	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-60.4	-28.5	178.5	-67.5	79.6	-2.9	0	0	113	Q87 F91 A92 W139	Q87-Q89 PolarHBondContact O-N 2.85Å; Q89-F91 PolarHBondContact O-N 2.97Å; Q89-A92 WeakPolarHBondContact O-CB 3.11Å; Q89-A92 PolarHBondContact O-N 3.18Å; Q89-A92 VanDerWaalsContact O-N 3.08Å; Q89-W139 HydrophobicContact CB-CH2 4.02Å; Q89-W139 HydrophobicContact CB-CZ3 3.85Å; Q89-W139 HydrophobicContact CG-CH2 3.88Å; Q89-W139 HydrophobicContact CG-CZ3 3.85Å
90	D	90.3	Very high	90.2	Very high	73 Å²	73	69.5 Å²	69.5	39%	0.39	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-71.7	-8.7	178.6	-57.5	-41.1	0	0	0	112.9	F86 Q87 Y88 Q94	F86-D90 HydrophobicContact CD1-CB 4.32Å; F86-D90 HydrophobicContact CD2-CB 3.98Å; F86-D90 HydrophobicContact CE1-CB 3.88Å; F86-D90 HydrophobicContact CE2-CB 3.52Å; F86-D90 HydrophobicContact CG-CB 4.36Å; F86-D90 HydrophobicContact CZ-CB 3.46Å; F86-D90 VanDerWaalsContact CZ-CB 3.46Å; Q87-D90 PolarHBondContact N-OD2 3.44Å; Q87-D90 WeakPolarHBondContact O-CB 3.4Å; Q87-D90 PolarHBondContact O-N 3.33Å; Q87-D90 VanDerWaalsContact O-N 3.12Å; Y88-D90 PolarHBondContact O-N 3.37Å; D90-Q94 PolarHBondContact O-NE2 2.88Å; D90-Q94 VanDerWaalsContact O-NE2 3.11Å
91	F	90.8	Very high	90.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-78.1	-26	169.1	-69.7	-57	0	0	0	113.3	V52 V55 P56 F63 M78 Y82 F86 Y88 Q89 Q94 F95	V52-F91 HydrophobicContact CG1-CB 3.45Å; V52-F91 VanDerWaalsContact CG1-CB 3.45Å; V55-F91 HydrophobicContact CB-CB 4.3Å; V55-F91 HydrophobicContact CB-CD1 4.17Å; V55-F91 HydrophobicContact CG1-CB 4.33Å; V55-F91 HydrophobicContact CG1-CD1 3.61Å; V55-F91 HydrophobicContact CG1-CE1 4.33Å; V55-F91 HydrophobicContact CG1-CG 4.35Å; P56-F91 HydrophobicContact CB-CE1 4.35Å; P56-F91 HydrophobicContact CB-CZ 4.13Å; P56-F91 HydrophobicContact CG-CZ 4.5Å; F63-F91 HydrophobicContact CE1-CE2 4.08Å; F63-F91 HydrophobicContact CE1-CZ 4.43Å; M78-F91 HydrophobicContact CE-CE2 4.07Å; M78-F91 HydrophobicContact CE-CZ 3.8Å; M78-F91 HydrophobicContact SD-CE2 4.37Å; M78-F91 HydrophobicContact SD-CZ 3.9Å; Y82-F91 HydrophobicContact CD1-CE1 4.13Å; Y82-F91 HydrophobicContact CD1-CZ 4.41Å; Y82-F91 HydrophobicContact CE1-CD1 4.46Å; Y82-F91 AromaticContact CE1-CE1 3.43Å; Y82-F91 HydrophobicContact CE1-CE1 3.43Å; Y82-F91 VanDerWaalsContact CE1-CE1 3.43Å; Y82-F91 AromaticContact CE1-CZ 4Å; Y82-F91 HydrophobicContact CE1-CZ 4Å; Y82-F91 HydrophobicContact CE2-CE1 4.28Å; Y82-F91 HydrophobicContact CE2-CZ 4.17Å; Y82-F91 AromaticContact CZ-CE1 3.5Å; Y82-F91 VanDerWaalsContact CZ-CE1 3.5Å; Y82-F91 AromaticContact CZ-CZ 3.85Å; F86-F91 HydrophobicContact CD1-CE2 4.32Å; F86-F91 HydrophobicContact CD1-CZ 4.17Å; F86-F91 AromaticContact CE1-CD1 3.68Å; F86-F91 HydrophobicContact CE1-CD1 3.68Å; F86-F91 AromaticContact CE1-CD2 3.82Å; F86-F91 HydrophobicContact CE1-CD2 3.82Å; F86-F91 AromaticContact CE1-CE1 3.45Å; F86-F91 HydrophobicContact CE1-CE1 3.45Å; F86-F91 VanDerWaalsContact CE1-CE1 3.45Å; F86-F91 AromaticContact CE1-CE2 3.58Å; F86-F91 HydrophobicContact CE1-CE2 3.58Å; F86-F91 AromaticContact CE1-CG 3.86Å; F86-F91 HydrophobicContact CE1-CG 3.86Å; F86-F91 AromaticContact CE1-CZ 3.39Å; F86-F91 HydrophobicContact CE1-CZ 3.39Å; F86-F91 AromaticContact CZ-CD1 3.67Å; F86-F91 HydrophobicContact CZ-CD1 3.67Å; F86-F91 AromaticContact CZ-CE1 3.68Å; F86-F91 HydrophobicContact CZ-CE1 3.68Å; F86-F91 HydrophobicContact CZ-CG 4.12Å; F86-F91 HydrophobicContact CZ-CZ 4.12Å; Y88-F91 AromaticContact CD2-CD2 3.78Å; Y88-F91 HydrophobicContact CD2-CD2 3.78Å; Y88-F91 HydrophobicContact CD2-CE2 4.13Å; Y88-F91 HydrophobicContact CE2-CD2 4.2Å; Y88-F91 HydrophobicContact CG-CD2 4.2Å; Y88-F91 VanDerWaalsContact O-CB 3.32Å; Y88-F91 WeakPolarHBondContact O-CB 3.44Å; Y88-F91 WeakPolarHBondContact O-CD2 3.09Å; Y88-F91 PolarHBondContact O-N 3.48Å; Q89-F91 PolarHBondContact O-N 2.97Å; F91-Q94 WeakPolarHBondContact O-CB 3.45Å; F91-Q94 PolarHBondContact O-N 3.2Å; F91-F95 PolarHBondContact O-N 2.84Å
92	A	89.8	Confident	90.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.5	-42.7	-175.7	0	0	0	0	0	113.1	V52 Q89 Q94 F95 F128 W139 V144	V52-A92 HydrophobicContact CG2-CB 4.28Å; Q89-A92 WeakPolarHBondContact O-CB 3.11Å; Q89-A92 PolarHBondContact O-N 3.18Å; Q89-A92 VanDerWaalsContact O-N 3.08Å; A92-Q94 PolarHBondContact O-N 2.86Å; A92-F95 WeakPolarHBondContact O-CB 3.26Å; A92-F95 PolarHBondContact O-N 2.91Å; A92-F128 HydrophobicContact CB-CE2 4.12Å; A92-W139 HydrophobicContact CB-CE3 4.35Å; A92-W139 HydrophobicContact CB-CH2 3.67Å; A92-W139 HydrophobicContact CB-CZ3 3.5Å; A92-V144 HydrophobicContact CB-CG1 3.69Å
93	P	90.1	Very high	90.6	Very high	80 Å²	80	65.8 Å²	65.8	52%	0.519	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-65.5	-22.7	174.2	-22.1	34.2	0	0	0	114.2	F95 V144	P93-F95 VanDerWaalsContact C-N 3.33Å; P93-V144 HydrophobicContact CG-CG1 4.02Å
94	Q	91.3	Very high	90.8	Very high	61 Å²	61	66.3 Å²	66.3	29%	0.285	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-85.3	-9.1	179.2	-63.5	179.8	53.8	0	0	112.9	V55 F86 D90 F91 A92 T96	V55-Q94 HydrophobicContact CG1-CB 3.73Å; F86-Q94 VanDerWaalsContact CZ-NE2 3.32Å; D90-Q94 PolarHBondContact O-NE2 2.88Å; D90-Q94 VanDerWaalsContact O-NE2 3.11Å; F91-Q94 WeakPolarHBondContact O-CB 3.45Å; F91-Q94 PolarHBondContact O-N 3.2Å; A92-Q94 PolarHBondContact O-N 2.86Å; Q94-T96 PolarHBondContact O-N 3.35Å; Q94-T96 VanDerWaalsContact O-N 3.16Å
95	F	92.8	Very high	91.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.			trans	-80.3	85.1	169.5	-177.2	-117	0	0	0	108.4	W50 V55 F91 A92 P93 F128 L130 G145 P146 L150 R330	W50-F95 HydrophobicContact CD2-CE2 4.09Å; W50-F95 AromaticContact CD2-CZ 3.76Å; W50-F95 HydrophobicContact CD2-CZ 3.76Å; W50-F95 AromaticContact CE2-CE2 3.42Å; W50-F95 VanDerWaalsContact CE2-CE2 3.42Å; W50-F95 AromaticContact CE2-CZ 3.41Å; W50-F95 VanDerWaalsContact CE2-CZ 3.41Å; W50-F95 HydrophobicContact CE3-CZ 4.15Å; W50-F95 HydrophobicContact CG-CE2 4.44Å; W50-F95 HydrophobicContact CG-CZ 4.39Å; W50-F95 AromaticContact CH2-CZ 3.93Å; W50-F95 HydrophobicContact CH2-CZ 3.93Å; W50-F95 AromaticContact CZ2-CE2 3.65Å; W50-F95 HydrophobicContact CZ2-CE2 3.65Å; W50-F95 AromaticContact CZ2-CZ 3.48Å; W50-F95 HydrophobicContact CZ2-CZ 3.48Å; W50-F95 VanDerWaalsContact CZ2-CZ 3.48Å; W50-F95 HydrophobicContact CZ3-CZ 4.26Å; W50-F95 AromaticContact NE1-CE2 3.41Å; W50-F95 AromaticContact NE1-CZ 3.88Å; V55-F95 HydrophobicContact CG2-CB 3.75Å; V55-F95 HydrophobicContact CG2-CD2 4.21Å; V55-F95 HydrophobicContact CG2-CG 4.47Å; F91-F95 PolarHBondContact O-N 2.84Å; A92-F95 WeakPolarHBondContact O-CB 3.26Å; A92-F95 PolarHBondContact O-N 2.91Å; P93-F95 VanDerWaalsContact C-N 3.33Å; F95-F128 HydrophobicContact CD1-CE1 4.14Å; F95-F128 HydrophobicContact CD1-CZ 4.48Å; F95-F128 HydrophobicContact CE1-CE1 4.3Å; F95-L130 HydrophobicContact CE1-CD2 3.94Å; F95-L130 HydrophobicContact CZ-CD2 4.19Å; F95-G145 CarbonylContact O-C 3.36Å; F95-G145 VanDerWaalsContact O-CA 3.23Å; F95-G145 WeakPolarHBondContact O-CA 3.42Å; F95-P146 HydrophobicContact CD1-CG 3.76Å; F95-P146 HydrophobicContact CE1-CG 3.87Å; F95-P146 WeakPolarHBondContact O-CD 3.48Å; F95-P146 VanDerWaalsContact O-CG 3.3Å; F95-P146 WeakPolarHBondContact O-CG 3.32Å; F95-L150 HydrophobicContact CE1-CD1 3.83Å; F95-L150 HydrophobicContact CZ-CD1 4.17Å; F95-R330 HydrophobicContact CD2-CB 4.48Å
96	T	90.2	Very high	91.9	Very high	56 Å²	56	52.2 Å²	52.2	34%	0.344	26%	0.257	S	S	.	.			trans	-91	-26.9	-171.3	53.8	0	0	0	0	113.5	Q94 E98	Q94-T96 PolarHBondContact O-N 3.35Å; Q94-T96 VanDerWaalsContact O-N 3.16Å; T96-E98 PolarHBondContact O-N 2.92Å
97	A	93.2	Very high	92.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	27%	0.271	C	S	.	.			trans	50.5	37.5	-172.1	0	0	0	0	0	113	W50 F99 F100 P146 L150 R330 D331	W50-A97 HydrophobicContact CH2-CB 3.59Å; W50-A97 HydrophobicContact CZ2-CB 3.7Å; A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 PolarHBondContact O-N 2.83Å; A97-F100 HydrophobicContact CB-CB 3.84Å; A97-F100 VanDerWaalsContact O-CB 3.25Å; A97-F100 WeakPolarHBondContact O-CB 3.48Å; A97-F100 PolarHBondContact O-N 3.17Å; A97-F100 VanDerWaalsContact O-N 3.11Å; A97-P146 HydrophobicContact CB-CB 4.03Å; A97-P146 HydrophobicContact CB-CG 3.88Å; A97-L150 HydrophobicContact CB-CD2 4.36Å; A97-R330 PolarHBondContact N-O 3.11Å; A97-D331 CarbonylContact C-O 3.26Å; A97-D331 WeakPolarHBondContact CA-O 3.28Å
98	E	92.3	Very high	92.4	Very high	138 Å²	138	49.8 Å²	49.8	65%	0.645	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.7	-171.1	-175.9	173.4	-172.1	0	0	114	T96 D331	T96-E98 PolarHBondContact O-N 2.92Å; E98-D331 PolarHBondContact N-O 2.57Å; E98-D331 VanDerWaalsContact N-O 3.14Å
99	F	93.8	Very high	92.7	Very high	122 Å²	122	49.7 Å²	49.7	54%	0.535	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	16.4	179.1	-57.3	-58.8	0	0	0	112.5	A97 D101 D331 T333	A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 PolarHBondContact O-N 2.83Å; F99-D101 PolarHBondContact O-N 2.99Å; F99-D331 CarbonylContact C-O 3.39Å; F99-D331 WeakPolarHBondContact CA-O 3.24Å; F99-D331 HydrophobicContact CD2-CB 3.76Å; F99-D331 HydrophobicContact CE2-CB 4.4Å; F99-D331 PolarHBondContact N-O 2.69Å; F99-T333 HydrophobicContact CB-CG2 3.5Å; F99-T333 VanDerWaalsContact CB-CG2 3.5Å; F99-T333 HydrophobicContact CD2-CG2 4.14Å; F99-T333 HydrophobicContact CG-CG2 4.17Å
100	F	94.8	Very high	93	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	24%	0.243	C	C	.	.			trans	-73.1	118.1	177	173.5	-109.6	0	0	0	111.2	W50 A97 A102 W105 L150 E153 V154 D331	W50-F100 HydrophobicContact CH2-CB 4.18Å; W50-F100 AromaticContact CH2-CD2 3.8Å; W50-F100 HydrophobicContact CH2-CD2 3.8Å; W50-F100 HydrophobicContact CH2-CE2 4.38Å; W50-F100 AromaticContact CH2-CG 3.91Å; W50-F100 HydrophobicContact CH2-CG 3.91Å; W50-F100 HydrophobicContact CZ3-CD2 4.04Å; W50-F100 HydrophobicContact CZ3-CE2 4.16Å; W50-F100 HydrophobicContact CZ3-CG 4.44Å; A97-F100 HydrophobicContact CB-CB 3.84Å; A97-F100 VanDerWaalsContact O-CB 3.25Å; A97-F100 WeakPolarHBondContact O-CB 3.48Å; A97-F100 PolarHBondContact O-N 3.17Å; A97-F100 VanDerWaalsContact O-N 3.11Å; F100-A102 HydrophobicContact CE1-CB 4.25Å; F100-A102 HydrophobicContact CZ-CB 3.84Å; F100-W105 HydrophobicContact CD2-CD2 4.18Å; F100-W105 AromaticContact CD2-CE2 3.7Å; F100-W105 HydrophobicContact CD2-CH2 4.11Å; F100-W105 AromaticContact CD2-CZ2 3.68Å; F100-W105 HydrophobicContact CD2-CZ2 3.68Å; F100-W105 AromaticContact CE2-CD2 3.74Å; F100-W105 HydrophobicContact CE2-CD2 3.74Å; F100-W105 AromaticContact CE2-CE2 3.75Å; F100-W105 AromaticContact CE2-CE3 3.82Å; F100-W105 HydrophobicContact CE2-CE3 3.82Å; F100-W105 HydrophobicContact CE2-CG 4.36Å; F100-W105 AromaticContact CE2-CH2 3.93Å; F100-W105 HydrophobicContact CE2-CH2 3.93Å; F100-W105 AromaticContact CE2-CZ2 3.87Å; F100-W105 HydrophobicContact CE2-CZ2 3.87Å; F100-W105 AromaticContact CE2-CZ3 3.9Å; F100-W105 HydrophobicContact CE2-CZ3 3.9Å; F100-L150 HydrophobicContact CD1-CD2 3.64Å; F100-L150 HydrophobicContact CE1-CD2 3.71Å; F100-L150 HydrophobicContact CG-CD2 4.36Å; F100-L150 HydrophobicContact CZ-CD2 4.49Å; F100-E153 HydrophobicContact CE1-CB 4.32Å; F100-V154 HydrophobicContact CE2-CG2 4.16Å; F100-V154 HydrophobicContact CZ-CG2 3.67Å; F100-D331 PolarHBondContact N-O 2.95Å
101	D	94.6	Very high	93.2	Very high	75 Å²	75	45.6 Å²	45.6	40%	0.401	24%	0.238	S	C	.	.			trans	-124.4	114.3	166.7	-171.3	-19.8	0	0	0	110.2	F99 K103 E104 W105	F99-D101 PolarHBondContact O-N 2.99Å; D101-K103 PolarHBondContact O-N 2.58Å; D101-K103 WeakPolarHBondContact OD1-CB 3.44Å; D101-K103 PolarHBondContact OD1-N 2.88Å; D101-E104 HydrophobicContact CB-CB 3.94Å; D101-E104 PolarHBondContact O-N 3.46Å; D101-W105 PolarHBondContact O-N 2.82Å; D101-W105 VanDerWaalsContact O-N 3.12Å
102	A	93.4	Very high	93.4	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-32.1	178	0	0	0	0	0	112.6	F100 T106 E153 V154 A157	F100-A102 HydrophobicContact CE1-CB 4.25Å; F100-A102 HydrophobicContact CZ-CB 3.84Å; A102-T106 VanDerWaalsContact O-CG2 3.27Å; A102-T106 WeakPolarHBondContact O-CG2 3.37Å; A102-T106 PolarHBondContact O-N 2.89Å; A102-T106 PolarHBondContact O-OG1 3.01Å; A102-E153 HydrophobicContact CB-CB 4.21Å; A102-V154 HydrophobicContact CB-CG2 4.47Å; A102-A157 HydrophobicContact CB-CB 3.76Å
103	K	93.3	Very high	93.6	Very high	157 Å²	157	46.2 Å²	46.2	68%	0.683	25%	0.245	S	C	*	.	H	α-helix	trans	-72	-38.9	178.4	-64.8	-172.2	179.1	-166.3	0	112.1	D101 W105 T106 D107	D101-K103 PolarHBondContact O-N 2.58Å; D101-K103 WeakPolarHBondContact OD1-CB 3.44Å; D101-K103 PolarHBondContact OD1-N 2.88Å; K103-W105 VanDerWaalsContact C-N 3.34Å; K103-T106 PolarHBondContact O-N 2.74Å; K103-T106 PolarHBondContact O-OG1 2.66Å; K103-T106 VanDerWaalsContact O-OG1 3.13Å; K103-D107 PolarHBondContact O-N 3.42Å
104	E	94.3	Very high	93.9	Very high	96 Å²	96	42.5 Å²	42.5	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-45	175.9	-174.2	-178	164.8	0	0	110.3	D101 T106 D107 I108	D101-E104 HydrophobicContact CB-CB 3.94Å; D101-E104 PolarHBondContact O-N 3.46Å; E104-T106 PolarHBondContact O-N 2.68Å; E104-D107 PolarHBondContact O-N 3.42Å; E104-I108 HydrophobicContact CG-CD1 4.08Å; E104-I108 WeakPolarHBondContact O-CG1 3.42Å; E104-I108 PolarHBondContact O-N 2.78Å
105	W	94.9	Very high	94.1	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-48.8	175.1	-79.9	30.4	0	0	0	111.9	I48 W50 F100 D101 K103 D107 I108 F109 L119 V154 P328 G332 I334	I48-W105 HydrophobicContact CD1-CE3 4.19Å; I48-W105 HydrophobicContact CD1-CZ3 4.2Å; I48-W105 HydrophobicContact CG2-CH2 4.15Å; I48-W105 HydrophobicContact CG2-CZ3 3.85Å; W50-W105 AromaticContact CD2-CH2 3.79Å; W50-W105 HydrophobicContact CD2-CH2 3.79Å; W50-W105 HydrophobicContact CD2-CZ2 4.46Å; W50-W105 AromaticContact CE3-CH2 3.5Å; W50-W105 HydrophobicContact CE3-CH2 3.5Å; W50-W105 HydrophobicContact CE3-CZ2 4.38Å; W50-W105 HydrophobicContact CE3-CZ3 4.21Å; W50-W105 HydrophobicContact CG-CH2 4.32Å; W50-W105 HydrophobicContact CH2-CH2 4.37Å; W50-W105 AromaticContact CZ3-CH2 3.78Å; W50-W105 HydrophobicContact CZ3-CH2 3.78Å; W50-W105 HydrophobicContact CZ3-CZ2 4.4Å; W50-W105 HydrophobicContact CZ3-CZ3 4.46Å; F100-W105 HydrophobicContact CD2-CD2 4.18Å; F100-W105 AromaticContact CD2-CE2 3.7Å; F100-W105 HydrophobicContact CD2-CH2 4.11Å; F100-W105 AromaticContact CD2-CZ2 3.68Å; F100-W105 HydrophobicContact CD2-CZ2 3.68Å; F100-W105 AromaticContact CE2-CD2 3.74Å; F100-W105 HydrophobicContact CE2-CD2 3.74Å; F100-W105 AromaticContact CE2-CE2 3.75Å; F100-W105 AromaticContact CE2-CE3 3.82Å; F100-W105 HydrophobicContact CE2-CE3 3.82Å; F100-W105 HydrophobicContact CE2-CG 4.36Å; F100-W105 AromaticContact CE2-CH2 3.93Å; F100-W105 HydrophobicContact CE2-CH2 3.93Å; F100-W105 AromaticContact CE2-CZ2 3.87Å; F100-W105 HydrophobicContact CE2-CZ2 3.87Å; F100-W105 AromaticContact CE2-CZ3 3.9Å; F100-W105 HydrophobicContact CE2-CZ3 3.9Å; D101-W105 PolarHBondContact O-N 2.82Å; D101-W105 VanDerWaalsContact O-N 3.12Å; K103-W105 VanDerWaalsContact C-N 3.34Å; W105-D107 VanDerWaalsContact C-N 3.33Å; W105-D107 PolarHBondContact O-N 3.05Å; W105-I108 PolarHBondContact O-N 2.75Å; W105-F109 HydrophobicContact CB-CD2 4.35Å; W105-F109 HydrophobicContact CB-CE2 3.76Å; W105-F109 HydrophobicContact CB-CZ 4.16Å; W105-F109 HydrophobicContact CD2-CE2 4.42Å; W105-F109 HydrophobicContact CD2-CZ 4.32Å; W105-F109 HydrophobicContact CE3-CE2 4.06Å; W105-F109 HydrophobicContact CE3-CZ 4.12Å; W105-F109 HydrophobicContact CG-CE2 4.37Å; W105-F109 HydrophobicContact CG-CZ 4.38Å; W105-F109 WeakPolarHBondContact O-CB 3.46Å; W105-F109 WeakPolarHBondContact O-CD2 3.49Å; W105-F109 WeakPolarHBondContact O-CG 3.39Å; W105-F109 PolarHBondContact O-N 2.84Å; W105-L119 HydrophobicContact CZ3-CD1 4.33Å; W105-V154 HydrophobicContact CE3-CG2 4.41Å; W105-P328 HydrophobicContact CH2-CB 3.93Å; W105-P328 HydrophobicContact CH2-CG 3.53Å; W105-P328 HydrophobicContact CZ2-CB 3.62Å; W105-P328 HydrophobicContact CZ2-CG 3.64Å; W105-P328 HydrophobicContact CZ3-CG 4.34Å; W105-G332 WeakPolarHBondContact CZ2-O 3.46Å; W105-G332 PolarHBondContact NE1-O 2.85Å; W105-I334 HydrophobicContact CD2-CD1 4.28Å; W105-I334 HydrophobicContact CG-CD1 3.96Å
106	T	93.1	Very high	94.3	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-32.6	-178.8	62.8	0	0	0	0	112.3	A102 K103 E104 F109 A110 A157 V158 Q161	A102-T106 VanDerWaalsContact O-CG2 3.27Å; A102-T106 WeakPolarHBondContact O-CG2 3.37Å; A102-T106 PolarHBondContact O-N 2.89Å; A102-T106 PolarHBondContact O-OG1 3.01Å; K103-T106 PolarHBondContact O-N 2.74Å; K103-T106 PolarHBondContact O-OG1 2.66Å; K103-T106 VanDerWaalsContact O-OG1 3.13Å; E104-T106 PolarHBondContact O-N 2.68Å; T106-F109 PolarHBondContact O-N 2.88Å; T106-A110 VanDerWaalsContact O-CB 3.26Å; T106-A110 WeakPolarHBondContact O-CB 3.48Å; T106-A110 PolarHBondContact O-N 2.76Å; T106-A157 HydrophobicContact CG2-CB 3.74Å; T106-V158 HydrophobicContact CG2-CB 4.48Å; T106-V158 HydrophobicContact CG2-CG2 3.63Å; T106-Q161 PolarHBondContact O-NE2 3.36Å; T106-Q161 PolarHBondContact O-OE1 2.91Å; T106-Q161 PolarHBondContact OG1-OE1 2.82Å
107	D	94.9	Very high	94.6	Very high	76 Å²	76	40.8 Å²	40.8	41%	0.406	21%	0.208	S	C	.	.	H	α-helix	trans	-58.8	-51.5	169	178.7	70.9	0	0	0	111.5	K103 E104 W105 F109 A110 A111 R343	K103-D107 PolarHBondContact O-N 3.42Å; E104-D107 PolarHBondContact O-N 3.42Å; W105-D107 VanDerWaalsContact C-N 3.33Å; W105-D107 PolarHBondContact O-N 3.05Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 2.92Å; D107-A110 PolarHBondContact O-N 3.35Å; D107-A111 WeakPolarHBondContact O-CB 3.24Å; D107-A111 PolarHBondContact O-N 2.69Å; D107-R343 IonicContact OD2-CZ 3.12Å; D107-R343 IonicContact OD2-NH1 3.77Å; D107-R343 PolarHBondContact OD2-NH1 3.44Å; D107-R343 IonicContact OD2-NH2 2.69Å; D107-R343 PolarHBondContact OD2-NH2 3.2Å
108	I	95.4	Very high	94.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-44.5	179.2	-68	165.8	0	0	0	110.6	E104 W105 A111 S112 I334 E339 L342	E104-I108 HydrophobicContact CG-CD1 4.08Å; E104-I108 WeakPolarHBondContact O-CG1 3.42Å; E104-I108 PolarHBondContact O-N 2.78Å; W105-I108 PolarHBondContact O-N 2.75Å; I108-A111 PolarHBondContact O-N 2.55Å; I108-S112 PolarHBondContact O-N 3.43Å; I108-I334 HydrophobicContact CD1-CB 4.49Å; I108-I334 HydrophobicContact CD1-CD1 4Å; I108-I334 HydrophobicContact CG2-CD1 4.32Å; I108-E339 HydrophobicContact CD1-CG 4.1Å; I108-E339 HydrophobicContact CG1-CG 4.07Å; I108-E339 HydrophobicContact CG2-CG 4.07Å; I108-L342 HydrophobicContact CG2-CB 4.34Å; I108-L342 HydrophobicContact CG2-CD1 3.73Å
109	F	94.9	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-41.7	-179.3	-59.7	-26.5	0	0	0	112.4	I46 I48 W105 T106 D107 S112 I117 L164 V326 I334 L342	I46-F109 HydrophobicContact CD1-CB 3.77Å; I46-F109 HydrophobicContact CD1-CD1 3.35Å; I46-F109 HydrophobicContact CD1-CE1 4.21Å; I46-F109 HydrophobicContact CD1-CG 3.79Å; I46-F109 HydrophobicContact CG2-CD1 4.07Å; I46-F109 HydrophobicContact CG2-CE1 3.94Å; I46-F109 HydrophobicContact CG2-CZ 4.48Å; I48-F109 HydrophobicContact CD1-CD2 4.43Å; I48-F109 HydrophobicContact CD1-CE2 3.4Å; I48-F109 HydrophobicContact CD1-CZ 3.44Å; I48-F109 VanDerWaalsContact CD1-CZ 3.44Å; I48-F109 HydrophobicContact CG1-CE2 4.33Å; I48-F109 HydrophobicContact CG1-CZ 3.93Å; W105-F109 HydrophobicContact CB-CD2 4.35Å; W105-F109 HydrophobicContact CB-CE2 3.76Å; W105-F109 HydrophobicContact CB-CZ 4.16Å; W105-F109 HydrophobicContact CD2-CE2 4.42Å; W105-F109 HydrophobicContact CD2-CZ 4.32Å; W105-F109 HydrophobicContact CE3-CE2 4.06Å; W105-F109 HydrophobicContact CE3-CZ 4.12Å; W105-F109 HydrophobicContact CG-CE2 4.37Å; W105-F109 HydrophobicContact CG-CZ 4.38Å; W105-F109 WeakPolarHBondContact O-CB 3.46Å; W105-F109 WeakPolarHBondContact O-CD2 3.49Å; W105-F109 WeakPolarHBondContact O-CG 3.39Å; W105-F109 PolarHBondContact O-N 2.84Å; T106-F109 PolarHBondContact O-N 2.88Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 2.92Å; F109-S112 WeakPolarHBondContact O-CB 3.26Å; F109-S112 PolarHBondContact O-N 3.24Å; F109-S112 PolarHBondContact O-OG 2.91Å; F109-I117 HydrophobicContact CB-CG2 4.13Å; F109-I117 HydrophobicContact CD2-CG2 3.83Å; F109-I117 HydrophobicContact CG-CG2 4.15Å; F109-L164 HydrophobicContact CB-CD1 4.01Å; F109-V326 HydrophobicContact CE1-CG2 4.21Å; F109-I334 HydrophobicContact CE1-CD1 3.67Å; F109-I334 HydrophobicContact CZ-CD1 3.79Å; F109-L342 HydrophobicContact CD1-CD1 4.17Å; F109-L342 HydrophobicContact CE1-CD1 4.22Å
110	A	94.3	Very high	95.1	Very high	36 Å²	36	28.5 Å²	28.5	30%	0.298	15%	0.152	S	C	.	.	H	α-helix	trans	-67.7	-39.7	175.4	0	0	0	0	0	111.6	T106 D107 S112 G113 L164	T106-A110 VanDerWaalsContact O-CB 3.26Å; T106-A110 WeakPolarHBondContact O-CB 3.48Å; T106-A110 PolarHBondContact O-N 2.76Å; D107-A110 PolarHBondContact O-N 3.35Å; A110-S112 PolarHBondContact O-N 3.41Å; A110-G113 PolarHBondContact O-N 3.06Å; A110-L164 HydrophobicContact CB-CD1 4.17Å
111	A	94.9	Very high	95	Very high	36 Å²	36	28.1 Å²	28.1	30%	0.298	15%	0.151	S	C	.	.	H	α-helix	trans	-61.8	-25.6	175.9	0	0	0	0	0	112.3	D107 I108 G113 R343 G346	D107-A111 WeakPolarHBondContact O-CB 3.24Å; D107-A111 PolarHBondContact O-N 2.69Å; I108-A111 PolarHBondContact O-N 2.55Å; A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.81Å; A111-R343 HydrophobicContact CB-CG 4.45Å; A111-R343 VanDerWaalsContact CB-NH1 3.35Å; A111-G346 VanDerWaalsContact O-CA 3.28Å; A111-G346 WeakPolarHBondContact O-CA 3.38Å
112	S	95.4	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.3	174.7	82.6	0	0	0	0	114.8	I46 I108 F109 A110 A114 L342 G346	I46-S112 WeakPolarHBondContact CD1-OG 2.95Å; I108-S112 PolarHBondContact O-N 3.43Å; F109-S112 WeakPolarHBondContact O-CB 3.26Å; F109-S112 PolarHBondContact O-N 3.24Å; F109-S112 PolarHBondContact O-OG 2.91Å; A110-S112 PolarHBondContact O-N 3.41Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 WeakPolarHBondContact OG-CB 3.12Å; S112-A114 PolarHBondContact OG-N 3.46Å; S112-L342 WeakPolarHBondContact CA-O 3.43Å; S112-L342 VanDerWaalsContact CB-O 3.25Å; S112-L342 WeakPolarHBondContact CB-O 3.31Å; S112-G346 WeakPolarHBondContact O-CA 3.31Å; S112-G346 PolarHBondContact O-N 2.89Å
113	G	94.5	Very high	94.9	Very high	14 Å²	14	25 Å²	25	14%	0.144	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	4	-172.6	0	0	0	0	0	114.6	A110 A111 Y357	A110-G113 PolarHBondContact O-N 3.06Å; A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.81Å; G113-Y357 PolarHBondContact O-OH 3.35Å
114	A	96.2	Very high	94.3	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	10%	0.101	C	C	.	.			trans	-56.2	148.9	172.7	0	0	0	0	0	111.4	F44 I46 S112 L164	F44-A114 HydrophobicContact CD1-CB 4.04Å; F44-A114 HydrophobicContact CE1-CB 3.98Å; I46-A114 HydrophobicContact CD1-CB 3.74Å; I46-A114 HydrophobicContact CG1-CB 3.77Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 WeakPolarHBondContact OG-CB 3.12Å; S112-A114 PolarHBondContact OG-N 3.46Å; A114-L164 HydrophobicContact CB-CD2 4.17Å; A114-L164 WeakPolarHBondContact O-CD2 3.15Å
115	K	95.8	Very high	93.2	Very high	81 Å²	81	13.2 Å²	13.2	35%	0.352	8%	0.08	S	C	.	.	S	Bend	trans	-110.4	-14.5	176.3	-61.8	-58	178.5	-170.1	0	113.1	A42 F44 R165 Y357	A42-K115 HydrophobicContact CB-CB 3.71Å; A42-K115 HydrophobicContact CB-CG 4.31Å; F44-K115 PolarHBondContact O-N 3.27Å; K115-R165 PolarHBondContact O-N 2.66Å; K115-Y357 HydrophobicContact CD-CE1 4.37Å; K115-Y357 HydrophobicContact CG-CD1 4.14Å; K115-Y357 HydrophobicContact CG-CE1 3.83Å
116	Y	96.5	Very high	91.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.3	174.2	62.2	-76.3	0	0	0	110	W38 F39 A42 G45 I46 V118 R165 V213 E281 L323	W38-Y116 HydrophobicContact CZ3-CD1 4.41Å; W38-Y116 HydrophobicContact CZ3-CG 4.44Å; F39-Y116 HydrophobicContact CE2-CE1 4.44Å; F39-Y116 HydrophobicContact CE2-CE2 4.13Å; F39-Y116 AromaticContact CE2-CZ 3.97Å; A42-Y116 HydrophobicContact CB-CD1 3.91Å; A42-Y116 HydrophobicContact CB-CE1 4.01Å; G45-Y116 CarbonylContact C-O 3.49Å; G45-Y116 WeakPolarHBondContact CA-O 3.06Å; I46-Y116 PolarHBondContact N-O 2.58Å; Y116-V118 HydrophobicContact CD2-CG2 4.12Å; Y116-V118 HydrophobicContact CE2-CG2 4.34Å; Y116-R165 VanDerWaalsContact CA-O 3.23Å; Y116-R165 WeakPolarHBondContact CA-O 3.26Å; Y116-V213 HydrophobicContact CD2-CG2 4.02Å; Y116-E281 WeakPolarHBondContact CE2-OE1 3.39Å; Y116-E281 VanDerWaalsContact CZ-OE1 3.3Å; Y116-E281 PolarHBondContact OH-OE1 3.25Å; Y116-L323 HydrophobicContact CE2-CD1 3.94Å
117	I	96.8	Very high	91.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.7	171.8	68	163.6	0	0	0	109.3	I46 I48 F109 V154 V158 L164 R165 L166 G167	I46-I117 HydrophobicContact CB-CG2 4.44Å; I46-I117 CarbonylContact O-C 3.56Å; I46-I117 VanDerWaalsContact O-CA 3.26Å; I46-I117 WeakPolarHBondContact O-CA 3.31Å; I48-I117 HydrophobicContact CD1-CD1 4.44Å; F109-I117 HydrophobicContact CB-CG2 4.13Å; F109-I117 HydrophobicContact CD2-CG2 3.83Å; F109-I117 HydrophobicContact CG-CG2 4.15Å; I117-V154 HydrophobicContact CD1-CG1 3.55Å; I117-V158 HydrophobicContact CD1-CG2 3.44Å; I117-V158 VanDerWaalsContact CD1-CG2 3.44Å; I117-V158 HydrophobicContact CG1-CG2 4.07Å; I117-L164 HydrophobicContact CG2-CD1 4.48Å; I117-L164 HydrophobicContact CG2-CD2 4.44Å; I117-R165 PolarHBondContact N-O 3.4Å; I117-L166 HydrophobicContact CD1-CD1 4.39Å; I117-L166 HydrophobicContact CG1-CD1 4.41Å; I117-G167 CarbonylContact O-C 3.52Å; I117-G167 WeakPolarHBondContact O-CA 3.47Å; I117-G167 PolarHBondContact O-N 2.76Å
118	V	97	Very high	90.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.3	173.6	-175.6	0	0	0	0	107.5	I46 F47 I48 Y116 G167 V213 W215 L323	I46-V118 PolarHBondContact O-N 2.87Å; F47-V118 CarbonylContact C-O 3.43Å; F47-V118 WeakPolarHBondContact CA-O 3.42Å; F47-V118 HydrophobicContact CD2-CB 3.81Å; F47-V118 HydrophobicContact CD2-CG1 3.8Å; F47-V118 VanDerWaalsContact CD2-O 3.25Å; F47-V118 WeakPolarHBondContact CD2-O 2.98Å; F47-V118 HydrophobicContact CE2-CB 4.15Å; F47-V118 HydrophobicContact CE2-CG1 3.59Å; F47-V118 HydrophobicContact CG-CB 4.32Å; F47-V118 HydrophobicContact CZ-CG1 4.24Å; I48-V118 PolarHBondContact N-O 2.95Å; Y116-V118 HydrophobicContact CD2-CG2 4.12Å; Y116-V118 HydrophobicContact CE2-CG2 4.34Å; V118-G167 WeakPolarHBondContact CA-O 3.21Å; V118-V213 HydrophobicContact CG2-CG1 4.19Å; V118-W215 HydrophobicContact CG1-CB 3.87Å; V118-W215 HydrophobicContact CG1-CG 4.41Å; V118-L323 HydrophobicContact CB-CD1 4.38Å; V118-L323 HydrophobicContact CB-CD2 4.49Å; V118-L323 HydrophobicContact CG2-CD1 3.93Å; V118-L323 HydrophobicContact CG2-CD2 4.08Å
119	L	96.6	Very high	90.8	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.5	177.7	178.4	64.4	0	0	0	110.5	I48 W105 T121 L130 V151 V154 G167 L168 Y169	I48-L119 HydrophobicContact CB-CD1 3.9Å; I48-L119 HydrophobicContact CD1-CD1 4.25Å; I48-L119 HydrophobicContact CG2-CD1 3.84Å; W105-L119 HydrophobicContact CZ3-CD1 4.33Å; L119-T121 PolarHBondContact O-N 2.88Å; L119-L130 HydrophobicContact CD1-CD1 4.3Å; L119-L130 HydrophobicContact CG-CD1 4.46Å; L119-V151 HydrophobicContact CD2-CG2 4.33Å; L119-V154 HydrophobicContact CD2-CB 4.16Å; L119-V154 HydrophobicContact CD2-CG1 4.34Å; L119-V154 HydrophobicContact CD2-CG2 4.08Å; L119-G167 PolarHBondContact N-O 2.84Å; L119-L168 HydrophobicContact CB-CD2 4.36Å; L119-Y169 PolarHBondContact O-N 3.2Å
120	T	95	Very high	90.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	103.6	169.9	44.3	0	0	0	0	111	F47 I48 H49 W50 L130 Y169	F47-T120 HydrophobicContact CE2-CG2 4.09Å; I48-T120 WeakPolarHBondContact O-CB 3.15Å; I48-T120 VanDerWaalsContact O-CG2 3.26Å; I48-T120 WeakPolarHBondContact O-CG2 3.3Å; I48-T120 PolarHBondContact O-N 2.81Å; I48-T120 PolarHBondContact O-OG1 2.93Å; H49-T120 WeakPolarHBondContact CA-OG1 3.25Å; H49-T120 HydrophobicContact CB-CG2 4.35Å; W50-T120 PolarHBondContact N-OG1 3.49Å; W50-T120 PolarHBondContact O-OG1 3.22Å; T120-L130 WeakPolarHBondContact O-CD1 3.23Å; T120-L130 WeakPolarHBondContact O-CG 3.26Å; T120-Y169 HydrophobicContact CG2-CD1 3.58Å; T120-Y169 HydrophobicContact CG2-CE1 4.09Å; T120-Y169 HydrophobicContact CG2-CG 3.98Å
121	T	93.8	Very high	90.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-41.4	176.4	65.3	0	0	0	0	111.2	L119 T129 L130 W131 V151 L168 Y169 H170 L205	L119-T121 PolarHBondContact O-N 2.88Å; T121-T129 WeakPolarHBondContact O-CA 3.28Å; T121-L130 PolarHBondContact O-N 3.01Å; T121-W131 VanDerWaalsContact CB-CZ3 3.41Å; T121-W131 WeakPolarHBondContact O-CZ3 3.48Å; T121-V151 HydrophobicContact CG2-CG1 4.38Å; T121-V151 HydrophobicContact CG2-CG2 4.11Å; T121-L168 HydrophobicContact CG2-CB 3.74Å; T121-L168 HydrophobicContact CG2-CD1 4.14Å; T121-L168 HydrophobicContact CG2-CD2 3.65Å; T121-L168 HydrophobicContact CG2-CG 4.03Å; T121-Y169 WeakPolarHBondContact CB-O 3.32Å; T121-Y169 PolarHBondContact N-O 2.89Å; T121-Y169 PolarHBondContact OG1-O 2.7Å; T121-H170 PolarHBondContact OG1-ND1 2.82Å; T121-L205 HydrophobicContact CG2-CD1 4.33Å; T121-L205 HydrophobicContact CG2-CD2 4.05Å
122	K	92.9	Very high	90.5	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.009	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.1	178	-172.5	-179.4	73.2	-180	0	108.8	T129 W131 Y169 H170 S171 E174 E201	K122-T129 HydrophobicContact CB-CG2 4.26Å; K122-T129 HydrophobicContact CD-CG2 4.02Å; K122-T129 HydrophobicContact CG-CG2 4.19Å; K122-W131 HydrophobicContact CB-CZ3 4.25Å; K122-Y169 WeakPolarHBondContact O-CD1 3.29Å; K122-Y169 WeakPolarHBondContact O-CE1 3.18Å; K122-H170 WeakPolarHBondContact CE-CE1 3.46Å; K122-H170 VanDerWaalsContact CE-NE2 3.31Å; K122-H170 WeakPolarHBondContact CE-NE2 3.33Å; K122-H170 PolarHBondContact NZ-NE2 2.73Å; K122-H170 VanDerWaalsContact NZ-NE2 3.17Å; K122-S171 WeakPolarHBondContact CE-O 2.98Å; K122-S171 PolarHBondContact NZ-O 3.03Å; K122-S171 VanDerWaalsContact O-CB 3.3Å; K122-S171 WeakPolarHBondContact O-CB 3.47Å; K122-S171 PolarHBondContact O-N 2.99Å; K122-E174 IonicContact NZ-OE1 3.59Å; K122-E174 PolarHBondContact NZ-OE1 3.18Å; K122-E201 IonicContact NZ-OE2 3.93Å; K122-E201 PolarHBondContact NZ-OE2 3.32Å
123	H	91.6	Very high	90.1	Very high	12 Å²	12	8.5 Å²	8.5	6%	0.056	5%	0.053	C	C	.	.			trans	-118.8	154.9	176.9	-169.6	-104	0	0	0	111.7	F53 W62 E125 G127 Y169	F53-H123 HydrophobicContact CE1-CB 3.76Å; F53-H123 AromaticContact CE1-CG 3.94Å; F53-H123 AromaticContact CE1-ND1 3.96Å; W62-H123 AromaticContact CD1-CE1 3.75Å; W62-H123 AromaticContact NE1-CE1 3.82Å; H123-E125 PolarHBondContact O-N 3.33Å; H123-E125 VanDerWaalsContact O-N 3.12Å; H123-G127 PolarHBondContact O-N 3.47Å; H123-G127 VanDerWaalsContact O-N 3.11Å; H123-Y169 AromaticContact CD2-CE1 4Å
124	H	82	Confident	89.7	Confident	5 Å²	5	16.9 Å²	16.9	2%	0.023	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35	-170	-54.1	-58.2	0	0	0	115.1	Y169 S171 F173 W175 D217	H124-Y169 PolarHBondContact NE2-OH 2.91Å; H124-S171 WeakPolarHBondContact CA-OG 3.23Å; H124-S171 PolarHBondContact CE1-OG 3.32Å; H124-S171 PolarHBondContact N-OG 2.87Å; H124-S171 VanDerWaalsContact ND1-CB 3.29Å; H124-S171 WeakPolarHBondContact ND1-CB 3.18Å; H124-S171 PolarHBondContact ND1-OG 2.79Å; H124-F173 HydrophobicContact CB-CD2 4.16Å; H124-F173 HydrophobicContact CB-CE2 3.66Å; H124-F173 HydrophobicContact CB-CZ 4.26Å; H124-F173 AromaticContact CD2-CZ 3.9Å; H124-F173 AromaticContact CE1-CD1 3.84Å; H124-F173 AromaticContact CE1-CE1 3.16Å; H124-F173 WeakPolarHBondContact CE1-CE1 3.35Å; H124-F173 AromaticContact CE1-CE2 3.8Å; H124-F173 AromaticContact CE1-CZ 3.16Å; H124-F173 WeakPolarHBondContact CE1-CZ 3.24Å; H124-F173 AromaticContact CG-CE2 3.42Å; H124-F173 VanDerWaalsContact CG-CE2 3.42Å; H124-F173 AromaticContact CG-CZ 3.51Å; H124-F173 AromaticContact ND1-CD1 3.67Å; H124-F173 AromaticContact ND1-CD2 3.58Å; H124-F173 AromaticContact ND1-CE1 3.31Å; H124-F173 VanDerWaalsContact ND1-CE1 3.31Å; H124-F173 WeakPolarHBondContact ND1-CE1 3.44Å; H124-F173 AromaticContact ND1-CE2 3.17Å; H124-F173 WeakPolarHBondContact ND1-CE2 3.21Å; H124-F173 AromaticContact ND1-CG 3.82Å; H124-F173 AromaticContact ND1-CZ 3.06Å; H124-F173 WeakPolarHBondContact ND1-CZ 3.29Å; H124-F173 AromaticContact NE2-CZ 3.67Å; H124-W175 HydrophobicContact CB-CD2 4.28Å; H124-W175 HydrophobicContact CB-CE3 4.32Å; H124-W175 HydrophobicContact CB-CH2 4.25Å; H124-W175 HydrophobicContact CB-CZ2 4.21Å; H124-W175 HydrophobicContact CB-CZ3 4.3Å; H124-W175 PolarHBondContact O-N 2.95Å; H124-D217 IonicContact CD2-OD2 2.66Å; H124-D217 VanDerWaalsContact CE1-CB 3.45Å; H124-D217 WeakPolarHBondContact CE1-CB 3.18Å; H124-D217 PolarHBondContact CE1-O 3.22Å; H124-D217 IonicContact CE1-OD2 3.41Å; H124-D217 PolarHBondContact CE1-OD2 2.75Å; H124-D217 IonicContact NE2-OD1 3.69Å; H124-D217 IonicContact NE2-OD2 3.01Å; H124-D217 PolarHBondContact NE2-OD2 3.25Å
125	E	71.2	Confident	89.2	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-62.6	-169.4	177.7	155.8	-93.1	0	0	110.4	F53 W62 F63 W64 Y65 Y88 H123 W175 F176	F53-E125 WeakPolarHBondContact CB-OE2 3.39Å; W62-E125 WeakPolarHBondContact CA-OE1 3.27Å; F63-E125 PolarHBondContact N-OE1 2.89Å; W64-E125 VanDerWaalsContact CA-OE1 3.26Å; W64-E125 WeakPolarHBondContact CA-OE1 3.47Å; W64-E125 HydrophobicContact CB-CG 3.4Å; W64-E125 WeakPolarHBondContact CB-OE1 3.49Å; W64-E125 HydrophobicContact CD2-CG 4.41Å; W64-E125 HydrophobicContact CE3-CG 3.89Å; W64-E125 HydrophobicContact CG-CG 4.3Å; W64-E125 WeakPolarHBondContact CZ3-O 3.36Å; W64-E125 PolarHBondContact N-OE1 3.27Å; W64-E125 PolarHBondContact N-OE2 3.28Å; Y65-E125 PolarHBondContact N-OE1 3.07Å; Y88-E125 HydrophobicContact CE2-CG 4.5Å; Y88-E125 WeakPolarHBondContact CE2-OE2 3.17Å; Y88-E125 PolarHBondContact OH-OE2 3.1Å; H123-E125 PolarHBondContact O-N 3.33Å; H123-E125 VanDerWaalsContact O-N 3.12Å; E125-W175 HydrophobicContact CB-CE3 4.39Å; E125-W175 HydrophobicContact CB-CZ3 4.19Å; E125-F176 WeakPolarHBondContact O-CD2 3.34Å
126	A	65.6	Low	88.5	Confident	15 Å²	15	16.3 Å²	16.3	12%	0.124	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.1	-171.7	0	0	0	0	0	113.4	Y88 F128 W139	Y88-A126 HydrophobicContact CE1-CB 3.67Å; A126-F128 HydrophobicContact CB-CB 3.81Å; A126-F128 PolarHBondContact O-N 2.97Å; A126-F128 VanDerWaalsContact O-N 3.16Å; A126-W139 HydrophobicContact CB-CZ2 4.08Å; A126-W139 PolarHBondContact O-NE1 3.26Å
127	G	80.6	Confident	87.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.			trans	59	17.9	-161.2	0	0	0	0	0	113.1	H123	H123-G127 PolarHBondContact O-N 3.47Å; H123-G127 VanDerWaalsContact O-N 3.11Å
128	F	88.1	Confident	87.1	Confident	10 Å²	10	30.5 Å²	30.5	4%	0.044	15%	0.147	C	C	.	.			trans	-73.7	126.8	179.5	-174.4	-93	0	0	0	109	V52 A92 F95 A126 L130 W139 A141	V52-F128 HydrophobicContact CG2-CB 3.98Å; V52-F128 HydrophobicContact CG2-CD1 3.68Å; V52-F128 HydrophobicContact CG2-CD2 3.74Å; V52-F128 HydrophobicContact CG2-CE1 4Å; V52-F128 HydrophobicContact CG2-CE2 4.06Å; V52-F128 HydrophobicContact CG2-CG 3.52Å; V52-F128 HydrophobicContact CG2-CZ 4.16Å; A92-F128 HydrophobicContact CB-CE2 4.12Å; F95-F128 HydrophobicContact CD1-CE1 4.14Å; F95-F128 HydrophobicContact CD1-CZ 4.48Å; F95-F128 HydrophobicContact CE1-CE1 4.3Å; A126-F128 HydrophobicContact CB-CB 3.81Å; A126-F128 PolarHBondContact O-N 2.97Å; A126-F128 VanDerWaalsContact O-N 3.16Å; F128-L130 HydrophobicContact CD1-CD2 4.16Å; F128-L130 HydrophobicContact CE1-CD2 4.13Å; F128-W139 HydrophobicContact CB-CZ2 4.45Å; F128-W139 AromaticContact CD2-CD2 3.98Å; F128-W139 HydrophobicContact CD2-CD2 3.98Å; F128-W139 AromaticContact CD2-CE2 3.87Å; F128-W139 HydrophobicContact CD2-CE3 4.48Å; F128-W139 HydrophobicContact CD2-CG 4.2Å; F128-W139 HydrophobicContact CD2-CZ2 4.23Å; F128-A141 HydrophobicContact CE1-CB 4Å; F128-A141 HydrophobicContact CZ-CB 4.21Å; F128-A141 VanDerWaalsContact CZ-N 3.33Å
129	T	92.6	Very high	86.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-96.7	130.9	-177.4	51.1	0	0	0	0	110.2	T121 K122 W131 N140 A141	T121-T129 WeakPolarHBondContact O-CA 3.28Å; K122-T129 HydrophobicContact CB-CG2 4.26Å; K122-T129 HydrophobicContact CD-CG2 4.02Å; K122-T129 HydrophobicContact CG-CG2 4.19Å; T129-W131 VanDerWaalsContact CB-CZ3 3.48Å; T129-W131 HydrophobicContact CG2-CE3 4.09Å; T129-W131 HydrophobicContact CG2-CH2 3.46Å; T129-W131 VanDerWaalsContact CG2-CH2 3.46Å; T129-W131 HydrophobicContact CG2-CZ2 4.06Å; T129-W131 HydrophobicContact CG2-CZ3 3.47Å; T129-W131 VanDerWaalsContact CG2-CZ3 3.47Å; T129-W131 PolarHBondContact O-N 3.49Å; T129-W131 PolarHBondContact OG1-O 2.81Å; T129-N140 CarbonylContact O-C 3.5Å; T129-N140 VanDerWaalsContact O-CA 3.24Å; T129-N140 WeakPolarHBondContact O-CA 3.1Å; T129-N140 WeakPolarHBondContact OG1-CB 3.33Å; T129-A141 PolarHBondContact O-N 2.91Å
130	L	93.4	Very high	86.4	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	-76.2	4.2	176.7	-63.8	-166.7	0	0	0	113.5	W50 F95 L119 T120 T121 F128 L150 V151	W50-L130 HydrophobicContact CE3-CD1 4.07Å; F95-L130 HydrophobicContact CE1-CD2 3.94Å; F95-L130 HydrophobicContact CZ-CD2 4.19Å; L119-L130 HydrophobicContact CD1-CD1 4.3Å; L119-L130 HydrophobicContact CG-CD1 4.46Å; T120-L130 WeakPolarHBondContact O-CD1 3.23Å; T120-L130 WeakPolarHBondContact O-CG 3.26Å; T121-L130 PolarHBondContact O-N 3.01Å; F128-L130 HydrophobicContact CD1-CD2 4.16Å; F128-L130 HydrophobicContact CE1-CD2 4.13Å; L130-L150 HydrophobicContact CB-CB 4.37Å; L130-L150 HydrophobicContact CB-CD1 4.45Å; L130-L150 HydrophobicContact CD2-CD1 4.1Å; L130-L150 PolarHBondContact O-N 3.09Å; L130-L150 VanDerWaalsContact O-N 3.14Å; L130-V151 HydrophobicContact CB-CG2 3.85Å
131	W	93.7	Very high	86.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-133.1	164.8	176.6	79.2	102.7	0	0	0	111	T121 K122 T129 S133 N140 D149 V151 H170 E201 D204 L205 Y209	T121-W131 VanDerWaalsContact CB-CZ3 3.41Å; T121-W131 WeakPolarHBondContact O-CZ3 3.48Å; K122-W131 HydrophobicContact CB-CZ3 4.25Å; T129-W131 VanDerWaalsContact CB-CZ3 3.48Å; T129-W131 HydrophobicContact CG2-CE3 4.09Å; T129-W131 HydrophobicContact CG2-CH2 3.46Å; T129-W131 VanDerWaalsContact CG2-CH2 3.46Å; T129-W131 HydrophobicContact CG2-CZ2 4.06Å; T129-W131 HydrophobicContact CG2-CZ3 3.47Å; T129-W131 VanDerWaalsContact CG2-CZ3 3.47Å; T129-W131 PolarHBondContact O-N 3.49Å; T129-W131 PolarHBondContact OG1-O 2.81Å; W131-S133 VanDerWaalsContact C-N 3.34Å; W131-S133 PolarHBondContact O-N 3.35Å; W131-N140 WeakPolarHBondContact O-CB 3.4Å; W131-D149 WeakPolarHBondContact CB-OD1 3.06Å; W131-V151 HydrophobicContact CB-CB 4.09Å; W131-V151 HydrophobicContact CB-CG2 3.94Å; W131-V151 HydrophobicContact CE3-CG2 4.32Å; W131-H170 AromaticContact CH2-CE1 3.84Å; W131-H170 AromaticContact CH2-ND1 3.88Å; W131-E201 HydrophobicContact CH2-CB 4.36Å; W131-E201 HydrophobicContact CZ2-CB 4.02Å; W131-E201 HydrophobicContact CZ2-CG 4.13Å; W131-D204 PolarHBondContact NE1-OD2 3.33Å; W131-L205 HydrophobicContact CD2-CD2 3.7Å; W131-L205 HydrophobicContact CE3-CD2 3.87Å; W131-L205 HydrophobicContact CG-CD2 4.35Å; W131-L205 HydrophobicContact CH2-CD1 3.77Å; W131-L205 HydrophobicContact CH2-CD2 3.92Å; W131-L205 HydrophobicContact CH2-CG 3.96Å; W131-L205 HydrophobicContact CZ2-CD1 4.01Å; W131-L205 HydrophobicContact CZ2-CD2 3.7Å; W131-L205 HydrophobicContact CZ2-CG 3.69Å; W131-L205 HydrophobicContact CZ3-CD1 4.26Å; W131-L205 HydrophobicContact CZ3-CD2 4Å; W131-L205 HydrophobicContact CZ3-CG 4.49Å; W131-Y209 HydrophobicContact CB-CE2 4.21Å; W131-Y209 WeakPolarHBondContact CB-OH 3.3Å; W131-Y209 AromaticContact CD1-CE2 3.97Å; W131-Y209 HydrophobicContact CG-CE2 4.04Å
132	G	90.9	Very high	86.2	Confident	27 Å²	27	35.3 Å²	35.3	28%	0.278	17%	0.171	S	C	.	.			trans	-72.3	81.4	177.7	0	0	0	0	0	113
133	S	87.9	Confident	86	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.028	19%	0.188	C	C	.	.			trans	-81	130.1	174.5	171.5	0	0	0	0	111.5	W131 N135 S136 E201	W131-S133 VanDerWaalsContact C-N 3.34Å; W131-S133 PolarHBondContact O-N 3.35Å; S133-N135 PolarHBondContact O-N 3.15Å; S133-N135 PolarHBondContact OG-N 3.36Å; S133-S136 CarbonylContact O-C 3.53Å; S133-S136 PolarHBondContact O-N 3.34Å; S133-S136 PolarHBondContact OG-N 3.4Å; S133-E201 WeakPolarHBondContact OG-CG 3.46Å; S133-E201 PolarHBondContact OG-OE1 3.33Å; S133-E201 VanDerWaalsContact OG-OE1 3.07Å
134	K	85.8	Confident	85.9	Confident	190 Å²	190	39.1 Å²	39.1	83%	0.826	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-66.3	-26.3	173.2	-66.2	178.2	-177.5	172.3	0	112.6
135	N	84.7	Confident	86.2	Confident	66 Å²	66	40 Å²	40	35%	0.353	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-87.7	-11.9	-176.7	-59.5	75.8	0	0	0	112.4	S133 T196 K197 E201	S133-N135 PolarHBondContact O-N 3.15Å; S133-N135 PolarHBondContact OG-N 3.36Å; N135-T196 PolarHBondContact ND2-O 3.15Å; N135-K197 HydrophobicContact CB-CG 4.21Å; N135-E201 HydrophobicContact CB-CG 4.07Å
136	S	82.6	Confident	87.1	Confident	5 Å²	5	40.8 Å²	40.8	4%	0.035	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-120.2	50.6	174.2	-66.7	0	0	0	0	110.6	S133 N138 W139 N140 K197 E201	S133-S136 CarbonylContact O-C 3.53Å; S133-S136 PolarHBondContact O-N 3.34Å; S133-S136 PolarHBondContact OG-N 3.4Å; S136-N138 PolarHBondContact O-N 2.64Å; S136-W139 CarbonylContact O-C 3.52Å; S136-W139 PolarHBondContact O-N 2.95Å; S136-W139 VanDerWaalsContact O-N 3.11Å; S136-N140 PolarHBondContact O-ND2 2.8Å; S136-K197 WeakPolarHBondContact OG-CE 3.24Å; S136-K197 PolarHBondContact OG-NZ 2.9Å; S136-E201 PolarHBondContact OG-OE1 2.8Å
137	W	78.4	Confident	88.4	Confident	208 Å²	208	47.6 Å²	47.6	79%	0.788	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	131.9	179.6	178.5	71.2	0	0	0	111.3	W139	W137-W139 PolarHBondContact O-N 3.33Å
138	N	84.3	Confident	89	Confident	91 Å²	91	51.8 Å²	51.8	49%	0.487	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	14.3	-178.1	-158.7	37.8	0	0	0	114.9	S136 D143 V144	S136-N138 PolarHBondContact O-N 2.64Å; N138-D143 PolarHBondContact N-OD2 3.13Å; N138-V144 WeakPolarHBondContact O-CG2 3.17Å
139	W	88.6	Confident	89.3	Confident	48 Å²	48	52.7 Å²	52.7	18%	0.182	26%	0.256	C	S	.	.	S	Bend	trans	-139.5	54.8	176.7	-165	-109.3	0	0	0	111.2	Q89 A92 A126 F128 S136 W137	Q89-W139 HydrophobicContact CB-CH2 4.02Å; Q89-W139 HydrophobicContact CB-CZ3 3.85Å; Q89-W139 HydrophobicContact CG-CH2 3.88Å; Q89-W139 HydrophobicContact CG-CZ3 3.85Å; A92-W139 HydrophobicContact CB-CE3 4.35Å; A92-W139 HydrophobicContact CB-CH2 3.67Å; A92-W139 HydrophobicContact CB-CZ3 3.5Å; A126-W139 HydrophobicContact CB-CZ2 4.08Å; A126-W139 PolarHBondContact O-NE1 3.26Å; F128-W139 HydrophobicContact CB-CZ2 4.45Å; F128-W139 AromaticContact CD2-CD2 3.98Å; F128-W139 HydrophobicContact CD2-CD2 3.98Å; F128-W139 AromaticContact CD2-CE2 3.87Å; F128-W139 HydrophobicContact CD2-CE3 4.48Å; F128-W139 HydrophobicContact CD2-CG 4.2Å; F128-W139 HydrophobicContact CD2-CZ2 4.23Å; S136-W139 CarbonylContact O-C 3.52Å; S136-W139 PolarHBondContact O-N 2.95Å; S136-W139 VanDerWaalsContact O-N 3.11Å; W137-W139 PolarHBondContact O-N 3.33Å
140	N	91.3	Very high	89.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.011	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-151.5	164	-178.2	66	68.3	0	0	0	111.7	T129 W131 S136 V142 D143 V144	T129-N140 CarbonylContact O-C 3.5Å; T129-N140 VanDerWaalsContact O-CA 3.24Å; T129-N140 WeakPolarHBondContact O-CA 3.1Å; T129-N140 WeakPolarHBondContact OG1-CB 3.33Å; W131-N140 WeakPolarHBondContact O-CB 3.4Å; S136-N140 PolarHBondContact O-ND2 2.8Å; N140-V142 PolarHBondContact O-N 3.45Å; N140-V142 WeakPolarHBondContact OD1-CA 3.36Å; N140-V142 WeakPolarHBondContact OD1-CB 3.33Å; N140-V142 PolarHBondContact OD1-N 3.29Å; N140-D143 PolarHBondContact ND2-OD2 3.3Å; N140-D143 PolarHBondContact O-N 3.44Å; N140-D143 PolarHBondContact OD1-N 2.98Å; N140-V144 PolarHBondContact O-N 3.4Å
141	A	91.1	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.9	-176.2	0	0	0	0	0	114.8	F128 T129 P146 K147 R148 L150	F128-A141 HydrophobicContact CE1-CB 4Å; F128-A141 HydrophobicContact CZ-CB 4.21Å; F128-A141 VanDerWaalsContact CZ-N 3.33Å; T129-A141 PolarHBondContact O-N 2.91Å; A141-P146 HydrophobicContact CB-CG 4.4Å; A141-K147 VanDerWaalsContact O-CA 3.24Å; A141-K147 WeakPolarHBondContact O-CA 3.38Å; A141-K147 PolarHBondContact O-N 3.24Å; A141-R148 CarbonylContact C-O 3.58Å; A141-R148 PolarHBondContact O-N 2.8Å; A141-R148 VanDerWaalsContact O-N 3.11Å; A141-L150 HydrophobicContact CB-CD1 3.9Å; A141-L150 HydrophobicContact CB-CG 4.29Å
142	V	92.1	Very high	89.5	Confident	54 Å²	54	55.5 Å²	55.5	33%	0.327	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-37.9	177.9	178.4	0	0	0	0	111	N140 K147 D149	N140-V142 PolarHBondContact O-N 3.45Å; N140-V142 WeakPolarHBondContact OD1-CA 3.36Å; N140-V142 WeakPolarHBondContact OD1-CB 3.33Å; N140-V142 PolarHBondContact OD1-N 3.29Å; V142-K147 WeakPolarHBondContact O-CA 3.27Å; V142-D149 HydrophobicContact CG2-CB 4.08Å
143	D	89.8	Confident	89.7	Confident	68 Å²	68	56.9 Å²	56.9	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-40.3	180	-67.7	-22.7	0	0	0	111.7	N138 N140	N138-D143 PolarHBondContact N-OD2 3.13Å; N140-D143 PolarHBondContact ND2-OD2 3.3Å; N140-D143 PolarHBondContact O-N 3.44Å; N140-D143 PolarHBondContact OD1-N 2.98Å
144	V	89.1	Confident	90.1	Very high	25 Å²	25	56.8 Å²	56.8	15%	0.152	27%	0.269	C	S	.	.	S	Bend	trans	-130.4	135.2	-171.4	-174.1	0	0	0	0	111.3	A92 P93 N138 N140 P146	A92-V144 HydrophobicContact CB-CG1 3.69Å; P93-V144 HydrophobicContact CG-CG1 4.02Å; N138-V144 WeakPolarHBondContact O-CG2 3.17Å; N140-V144 PolarHBondContact O-N 3.4Å; V144-P146 VanDerWaalsContact O-CD 3.24Å; V144-P146 WeakPolarHBondContact O-CD 3.43Å
145	G	88.9	Confident	90.5	Very high	24 Å²	24	47.7 Å²	47.7	25%	0.247	23%	0.23	C	C	.	.	S	Bend	trans	85.5	-107.9	178.4	0	0	0	0	0	111.9	F95 K147	F95-G145 CarbonylContact O-C 3.36Å; F95-G145 VanDerWaalsContact O-CA 3.23Å; F95-G145 WeakPolarHBondContact O-CA 3.42Å; G145-K147 VanDerWaalsContact C-N 3.28Å; G145-K147 PolarHBondContact O-N 3.01Å
146	P	90	Very high	91	Very high	17 Å²	17	47.2 Å²	47.2	11%	0.11	23%	0.232	C	C	.	.	S	Bend	trans	-68.8	-22.1	-170.4	-21.2	36	0	0	0	114.8	F95 A97 A141 V144 R148 L150	F95-P146 HydrophobicContact CD1-CG 3.76Å; F95-P146 HydrophobicContact CE1-CG 3.87Å; F95-P146 WeakPolarHBondContact O-CD 3.48Å; F95-P146 VanDerWaalsContact O-CG 3.3Å; F95-P146 WeakPolarHBondContact O-CG 3.32Å; A97-P146 HydrophobicContact CB-CB 4.03Å; A97-P146 HydrophobicContact CB-CG 3.88Å; A141-P146 HydrophobicContact CB-CG 4.4Å; V144-P146 VanDerWaalsContact O-CD 3.24Å; V144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-R148 HydrophobicContact CB-CB 4.26Å; P146-R148 WeakPolarHBondContact O-CG 3.07Å; P146-R148 PolarHBondContact O-N 3.41Å; P146-L150 HydrophobicContact CB-CD2 4.46Å; P146-L150 HydrophobicContact CG-CD1 4.19Å
147	K	92.4	Very high	91.6	Very high	159 Å²	159	47.5 Å²	47.5	69%	0.691	23%	0.234	S	C	*	.			trans	54.7	35.8	-171.5	-58.4	-174.9	177.9	-175.9	0	113.5	A141 V142 G145	A141-K147 VanDerWaalsContact O-CA 3.24Å; A141-K147 WeakPolarHBondContact O-CA 3.38Å; A141-K147 PolarHBondContact O-N 3.24Å; V142-K147 WeakPolarHBondContact O-CA 3.27Å; G145-K147 VanDerWaalsContact C-N 3.28Å; G145-K147 PolarHBondContact O-N 3.01Å
148	R	92.8	Very high	92.4	Very high	87 Å²	87	37.6 Å²	37.6	33%	0.328	20%	0.197	S	C	.	.	S	Bend	trans	-137.4	148.6	-173.3	-73.4	170.5	76.3	177.4	7.4	110.3	A141 P146 L150 E153	A141-R148 CarbonylContact C-O 3.58Å; A141-R148 PolarHBondContact O-N 2.8Å; A141-R148 VanDerWaalsContact O-N 3.11Å; P146-R148 HydrophobicContact CB-CB 4.26Å; P146-R148 WeakPolarHBondContact O-CG 3.07Å; P146-R148 PolarHBondContact O-N 3.41Å; R148-L150 HydrophobicContact CB-CD2 4.21Å; R148-L150 PolarHBondContact O-N 3.12Å; R148-E153 WeakPolarHBondContact CB-OE1 3.49Å; R148-E153 IonicContact CZ-OE1 3.9Å; R148-E153 IonicContact CZ-OE2 3.48Å; R148-E153 IonicContact NE-OE1 3.51Å; R148-E153 PolarHBondContact NE-OE1 3.33Å; R148-E153 IonicContact NE-OE2 2.62Å; R148-E153 IonicContact NH2-OE1 3.43Å; R148-E153 PolarHBondContact NH2-OE1 3.37Å; R148-E153 IonicContact NH2-OE2 2.74Å; R148-E153 PolarHBondContact NH2-OE2 3.06Å
149	D	94.3	Very high	92.7	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	20%	0.195	C	C	.	.			trans	-88.6	85.6	172.6	-167.3	-30.8	0	0	0	108.9	W131 V142 V151 D152 E153 K208 Y209	W131-D149 WeakPolarHBondContact CB-OD1 3.06Å; V142-D149 HydrophobicContact CG2-CB 4.08Å; D149-V151 PolarHBondContact O-N 2.89Å; D149-D152 HydrophobicContact CB-CB 3.97Å; D149-D152 PolarHBondContact O-N 3.28Å; D149-D152 PolarHBondContact OD1-N 3.44Å; D149-E153 WeakPolarHBondContact O-CG 3.41Å; D149-E153 PolarHBondContact O-N 3.1Å; D149-E153 VanDerWaalsContact O-N 3.1Å; D149-K208 IonicContact OD2-NZ 2.68Å; D149-K208 PolarHBondContact OD2-NZ 3.14Å; D149-Y209 PolarHBondContact OD1-OH 2.94Å; D149-Y209 PolarHBondContact OD2-OH 2.99Å
150	L	94.6	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-33	-172.9	-58.6	169.6	0	0	0	111.5	W50 F95 A97 F100 L130 A141 P146 R148 V154	W50-L150 HydrophobicContact CE3-CD1 4.33Å; W50-L150 HydrophobicContact CH2-CD1 3.78Å; W50-L150 HydrophobicContact CH2-CD2 4.06Å; W50-L150 HydrophobicContact CH2-CG 4.47Å; W50-L150 HydrophobicContact CZ3-CB 4.28Å; W50-L150 HydrophobicContact CZ3-CD1 3.54Å; W50-L150 HydrophobicContact CZ3-CD2 4.13Å; W50-L150 HydrophobicContact CZ3-CG 4.19Å; F95-L150 HydrophobicContact CE1-CD1 3.83Å; F95-L150 HydrophobicContact CZ-CD1 4.17Å; A97-L150 HydrophobicContact CB-CD2 4.36Å; F100-L150 HydrophobicContact CD1-CD2 3.64Å; F100-L150 HydrophobicContact CE1-CD2 3.71Å; F100-L150 HydrophobicContact CG-CD2 4.36Å; F100-L150 HydrophobicContact CZ-CD2 4.49Å; L130-L150 HydrophobicContact CB-CB 4.37Å; L130-L150 HydrophobicContact CB-CD1 4.45Å; L130-L150 HydrophobicContact CD2-CD1 4.1Å; L130-L150 PolarHBondContact O-N 3.09Å; L130-L150 VanDerWaalsContact O-N 3.14Å; A141-L150 HydrophobicContact CB-CD1 3.9Å; A141-L150 HydrophobicContact CB-CG 4.29Å; P146-L150 HydrophobicContact CB-CD2 4.46Å; P146-L150 HydrophobicContact CG-CD1 4.19Å; R148-L150 HydrophobicContact CB-CD2 4.21Å; R148-L150 PolarHBondContact O-N 3.12Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 2.85Å; L150-V154 VanDerWaalsContact O-N 3.12Å
151	V	95.3	Very high	92.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-44	177	-177.3	0	0	0	0	110.8	L119 T121 L130 W131 D149 A155 L168 Y209	L119-V151 HydrophobicContact CD2-CG2 4.33Å; T121-V151 HydrophobicContact CG2-CG1 4.38Å; T121-V151 HydrophobicContact CG2-CG2 4.11Å; L130-V151 HydrophobicContact CB-CG2 3.85Å; W131-V151 HydrophobicContact CB-CB 4.09Å; W131-V151 HydrophobicContact CB-CG2 3.94Å; W131-V151 HydrophobicContact CE3-CG2 4.32Å; D149-V151 PolarHBondContact O-N 2.89Å; V151-A155 WeakPolarHBondContact O-CB 3.12Å; V151-A155 PolarHBondContact O-N 3.44Å; V151-L168 HydrophobicContact CG1-CD1 4.18Å; V151-L168 HydrophobicContact CG1-CD2 3.76Å; V151-Y209 HydrophobicContact CB-CE1 4.22Å; V151-Y209 HydrophobicContact CB-CE2 4.23Å; V151-Y209 HydrophobicContact CG1-CD1 3.93Å; V151-Y209 HydrophobicContact CG1-CD2 3.73Å; V151-Y209 HydrophobicContact CG1-CE1 3.98Å; V151-Y209 HydrophobicContact CG1-CE2 3.81Å; V151-Y209 HydrophobicContact CG1-CG 3.79Å
152	D	95.4	Very high	92.1	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-41.2	178.4	-161.6	50.4	0	0	0	112.5	D149 A155 S156 Y209	D149-D152 HydrophobicContact CB-CB 3.97Å; D149-D152 PolarHBondContact O-N 3.28Å; D149-D152 PolarHBondContact OD1-N 3.44Å; D152-A155 PolarHBondContact O-N 2.91Å; D152-S156 VanDerWaalsContact O-CB 3.23Å; D152-S156 WeakPolarHBondContact O-CB 3.19Å; D152-S156 PolarHBondContact O-N 3.2Å; D152-S156 PolarHBondContact O-OG 3.26Å; D152-Y209 HydrophobicContact CB-CD1 4.48Å; D152-Y209 HydrophobicContact CB-CE1 3.65Å
153	E	95.4	Very high	91.7	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-45.8	-179.9	-69.8	-171.2	-135.7	0	0	111.8	F100 A102 R148 D149 S156 A157	F100-E153 HydrophobicContact CE1-CB 4.32Å; A102-E153 HydrophobicContact CB-CB 4.21Å; R148-E153 WeakPolarHBondContact CB-OE1 3.49Å; R148-E153 IonicContact CZ-OE1 3.9Å; R148-E153 IonicContact CZ-OE2 3.48Å; R148-E153 IonicContact NE-OE1 3.51Å; R148-E153 PolarHBondContact NE-OE1 3.33Å; R148-E153 IonicContact NE-OE2 2.62Å; R148-E153 IonicContact NH2-OE1 3.43Å; R148-E153 PolarHBondContact NH2-OE1 3.37Å; R148-E153 IonicContact NH2-OE2 2.74Å; R148-E153 PolarHBondContact NH2-OE2 3.06Å; D149-E153 WeakPolarHBondContact O-CG 3.41Å; D149-E153 PolarHBondContact O-N 3.1Å; D149-E153 VanDerWaalsContact O-N 3.1Å; E153-S156 PolarHBondContact O-N 3.27Å; E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.03Å
154	V	95.3	Very high	91.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-46.1	173.9	174.6	0	0	0	0	110.7	F100 A102 W105 I117 L119 L150 S156 A157 V158	F100-V154 HydrophobicContact CE2-CG2 4.16Å; F100-V154 HydrophobicContact CZ-CG2 3.67Å; A102-V154 HydrophobicContact CB-CG2 4.47Å; W105-V154 HydrophobicContact CE3-CG2 4.41Å; I117-V154 HydrophobicContact CD1-CG1 3.55Å; L119-V154 HydrophobicContact CD2-CB 4.16Å; L119-V154 HydrophobicContact CD2-CG1 4.34Å; L119-V154 HydrophobicContact CD2-CG2 4.08Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 2.85Å; L150-V154 VanDerWaalsContact O-N 3.12Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.43Å; V154-A157 PolarHBondContact O-N 3.49Å; V154-V158 HydrophobicContact CG1-CG2 4.16Å; V154-V158 WeakPolarHBondContact O-CB 3.45Å; V154-V158 VanDerWaalsContact O-CG2 3.26Å; V154-V158 WeakPolarHBondContact O-CG2 3.5Å; V154-V158 PolarHBondContact O-N 3.25Å
155	A	94.7	Very high	92.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-42.6	178.8	0	0	0	0	0	112	V151 D152 R159 L166 Y209	V151-A155 WeakPolarHBondContact O-CB 3.12Å; V151-A155 PolarHBondContact O-N 3.44Å; D152-A155 PolarHBondContact O-N 2.91Å; A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 WeakPolarHBondContact O-CD 3.3Å; A155-R159 VanDerWaalsContact O-CG 3.23Å; A155-R159 WeakPolarHBondContact O-CG 3.25Å; A155-R159 PolarHBondContact O-N 2.58Å; A155-L166 HydrophobicContact CB-CD1 4.36Å; A155-L166 HydrophobicContact CB-CD2 3.43Å; A155-L166 VanDerWaalsContact CB-CD2 3.43Å; A155-Y209 HydrophobicContact CB-CD1 4.36Å
156	S	95.2	Very high	92.5	Very high	55 Å²	55	46 Å²	46	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-68.2	-43	178.1	-65.2	0	0	0	0	111.9	D152 E153 V154 R159 A160	D152-S156 VanDerWaalsContact O-CB 3.23Å; D152-S156 WeakPolarHBondContact O-CB 3.19Å; D152-S156 PolarHBondContact O-N 3.2Å; D152-S156 PolarHBondContact O-OG 3.26Å; E153-S156 PolarHBondContact O-N 3.27Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.43Å; S156-R159 PolarHBondContact O-N 3.26Å; S156-A160 VanDerWaalsContact O-CB 3.25Å; S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 3.07Å
157	A	95.1	Very high	92.8	Very high	11 Å²	11	45.1 Å²	45.1	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-45.2	177.2	0	0	0	0	0	112.2	A102 T106 E153 V154 R159 A160 Q161	A102-A157 HydrophobicContact CB-CB 3.76Å; T106-A157 HydrophobicContact CG2-CB 3.74Å; E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.03Å; V154-A157 PolarHBondContact O-N 3.49Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.21Å; A157-A160 PolarHBondContact O-N 3.11Å; A157-Q161 PolarHBondContact O-N 3.23Å
158	V	94.1	Very high	93	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-46.1	177.5	166.7	0	0	0	0	111.1	T106 I117 V154 G162 L164 L166	T106-V158 HydrophobicContact CG2-CB 4.48Å; T106-V158 HydrophobicContact CG2-CG2 3.63Å; I117-V158 HydrophobicContact CD1-CG2 3.44Å; I117-V158 VanDerWaalsContact CD1-CG2 3.44Å; I117-V158 HydrophobicContact CG1-CG2 4.07Å; V154-V158 HydrophobicContact CG1-CG2 4.16Å; V154-V158 WeakPolarHBondContact O-CB 3.45Å; V154-V158 VanDerWaalsContact O-CG2 3.26Å; V154-V158 WeakPolarHBondContact O-CG2 3.5Å; V154-V158 PolarHBondContact O-N 3.25Å; V158-G162 PolarHBondContact O-N 3.39Å; V158-L164 HydrophobicContact CG1-CB 3.85Å; V158-L164 VanDerWaalsContact CG1-O 3.28Å; V158-L164 WeakPolarHBondContact CG1-O 3.48Å; V158-L166 HydrophobicContact CG1-CB 4.26Å
159	R	92.2	Very high	93.1	Very high	116 Å²	116	33.5 Å²	33.5	44%	0.438	21%	0.205	S	C	.	.	H	α-helix	trans	-66.5	-39.9	177.6	-72.5	170.1	-179.9	140	1.8	112.7	A155 S156 A157 Y209	A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 WeakPolarHBondContact O-CD 3.3Å; A155-R159 VanDerWaalsContact O-CG 3.23Å; A155-R159 WeakPolarHBondContact O-CG 3.25Å; A155-R159 PolarHBondContact O-N 2.58Å; S156-R159 PolarHBondContact O-N 3.26Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.21Å; R159-Y209 VanDerWaalsContact NH2-C 3.32Å; R159-Y209 PolarHBondContact NH2-O 3.19Å
160	A	92.9	Very high	93.1	Very high	89 Å²	89	32.1 Å²	32.1	74%	0.736	20%	0.198	S	C	*	.	H	α-helix	trans	-68.5	-36.8	-178	0	0	0	0	0	112.5	S156 A157	S156-A160 VanDerWaalsContact O-CB 3.25Å; S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 3.07Å; A157-A160 PolarHBondContact O-N 3.11Å
161	Q	87.9	Confident	93.1	Very high	77 Å²	77	32.1 Å²	32.1	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-68.9	-39.3	178.5	-174.8	166.6	5.1	0	0	112.3	T106 A157	T106-Q161 PolarHBondContact O-NE2 3.36Å; T106-Q161 PolarHBondContact O-OE1 2.91Å; T106-Q161 PolarHBondContact OG1-OE1 2.82Å; A157-Q161 PolarHBondContact O-N 3.23Å
162	G	76.8	Confident	92.8	Very high	51 Å²	51	32.2 Å²	32.2	53%	0.526	20%	0.199	S	C	.	.			trans	74.6	132.7	-175.7	0	0	0	0	0	112.2	V158	V158-G162 PolarHBondContact O-N 3.39Å
163	G	83.4	Confident	92.4	Very high	62 Å²	62	29.7 Å²	29.7	64%	0.639	18%	0.184	S	C	*	.	S	Bend	trans	103.3	-8.4	177	0	0	0	0	0	115.6
164	L	93.2	Very high	92.1	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	17%	0.174	C	C	.	.			trans	-108.3	138.8	166	-72.2	172.7	0	0	0	109.8	F109 A110 A114 I117 V158	F109-L164 HydrophobicContact CB-CD1 4.01Å; A110-L164 HydrophobicContact CB-CD1 4.17Å; A114-L164 HydrophobicContact CB-CD2 4.17Å; A114-L164 WeakPolarHBondContact O-CD2 3.15Å; I117-L164 HydrophobicContact CG2-CD1 4.48Å; I117-L164 HydrophobicContact CG2-CD2 4.44Å; V158-L164 HydrophobicContact CG1-CB 3.85Å; V158-L164 VanDerWaalsContact CG1-O 3.28Å; V158-L164 WeakPolarHBondContact CG1-O 3.48Å
165	R	94.8	Very high	91.5	Very high	75 Å²	75	29.6 Å²	29.6	28%	0.283	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.4	173	-64.5	-174.2	174.4	-109.9	-11.4	110.6	W38 K115 Y116 I117 E212	W38-R165 HydrophobicContact CE3-CG 4.43Å; W38-R165 VanDerWaalsContact CG-NH1 3.28Å; W38-R165 HydrophobicContact CH2-CB 4.36Å; W38-R165 HydrophobicContact CZ3-CB 4.26Å; W38-R165 HydrophobicContact CZ3-CG 4.38Å; K115-R165 PolarHBondContact O-N 2.66Å; Y116-R165 VanDerWaalsContact CA-O 3.23Å; Y116-R165 WeakPolarHBondContact CA-O 3.26Å; I117-R165 PolarHBondContact N-O 3.4Å; R165-E212 WeakPolarHBondContact CA-OE2 3.44Å; R165-E212 HydrophobicContact CB-CB 4.4Å; R165-E212 WeakPolarHBondContact CB-OE2 3.48Å; R165-E212 WeakPolarHBondContact CG-OE2 3.18Å; R165-E212 IonicContact CZ-OE1 2.67Å; R165-E212 IonicContact NH1-OE1 2.79Å; R165-E212 PolarHBondContact NH1-OE1 2.84Å; R165-E212 IonicContact NH1-OE2 2.8Å
166	L	96	Very high	91.1	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.8	-177.8	179.4	68.2	0	0	0	110.4	I117 A155 V158 L168 Y209 P211 E212 V213	I117-L166 HydrophobicContact CD1-CD1 4.39Å; I117-L166 HydrophobicContact CG1-CD1 4.41Å; A155-L166 HydrophobicContact CB-CD1 4.36Å; A155-L166 HydrophobicContact CB-CD2 3.43Å; A155-L166 VanDerWaalsContact CB-CD2 3.43Å; V158-L166 HydrophobicContact CG1-CB 4.26Å; L166-L168 HydrophobicContact CD1-CD2 4.2Å; L166-L168 HydrophobicContact CG-CD2 4.43Å; L166-Y209 WeakPolarHBondContact CD2-O 3.38Å; L166-P211 CarbonylContact O-C 3.57Å; L166-E212 PolarHBondContact O-N 2.89Å; L166-V213 PolarHBondContact O-N 3.04Å
167	G	96.4	Very high	90.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147	169.2	0	0	0	0	0	111.3	I117 V118 L119 V213	I117-G167 CarbonylContact O-C 3.52Å; I117-G167 WeakPolarHBondContact O-CA 3.47Å; I117-G167 PolarHBondContact O-N 2.76Å; V118-G167 WeakPolarHBondContact CA-O 3.21Å; L119-G167 PolarHBondContact N-O 2.84Å; G167-V213 CarbonylContact C-O 3.46Å; G167-V213 WeakPolarHBondContact CA-O 3.39Å
168	L	97	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	179.2	-63.4	179.5	0	0	0	109.1	L119 T121 V151 L166 L205 Y209 P211 V213 W215	L119-L168 HydrophobicContact CB-CD2 4.36Å; T121-L168 HydrophobicContact CG2-CB 3.74Å; T121-L168 HydrophobicContact CG2-CD1 4.14Å; T121-L168 HydrophobicContact CG2-CD2 3.65Å; T121-L168 HydrophobicContact CG2-CG 4.03Å; V151-L168 HydrophobicContact CG1-CD1 4.18Å; V151-L168 HydrophobicContact CG1-CD2 3.76Å; L166-L168 HydrophobicContact CD1-CD2 4.2Å; L166-L168 HydrophobicContact CG-CD2 4.43Å; L168-L205 HydrophobicContact CD1-CD2 4.32Å; L168-Y209 HydrophobicContact CD1-CD2 4.27Å; L168-Y209 HydrophobicContact CD1-CG 4.37Å; L168-P211 HydrophobicContact CB-CB 4.26Å; L168-P211 HydrophobicContact CD1-CB 3.9Å; L168-P211 HydrophobicContact CD1-CG 4.08Å; L168-P211 HydrophobicContact CG-CB 3.88Å; L168-P211 HydrophobicContact CG-CG 4.49Å; L168-V213 PolarHBondContact N-O 3Å; L168-W215 PolarHBondContact O-N 3.34Å
169	Y	96	Very high	90.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.5	169.1	166.4	-80.8	0	0	0	110.1	F47 L119 T120 T121 K122 H123 H124 W215 D217	F47-Y169 AromaticContact CE2-CD2 3.82Å; F47-Y169 HydrophobicContact CE2-CD2 3.82Å; F47-Y169 AromaticContact CE2-CG 3.88Å; F47-Y169 HydrophobicContact CE2-CG 3.88Å; F47-Y169 AromaticContact CZ-CD2 3.35Å; F47-Y169 HydrophobicContact CZ-CD2 3.35Å; F47-Y169 AromaticContact CZ-CE2 3.94Å; F47-Y169 HydrophobicContact CZ-CE2 3.94Å; F47-Y169 AromaticContact CZ-CG 3.91Å; F47-Y169 HydrophobicContact CZ-CG 3.91Å; L119-Y169 PolarHBondContact O-N 3.2Å; T120-Y169 HydrophobicContact CG2-CD1 3.58Å; T120-Y169 HydrophobicContact CG2-CE1 4.09Å; T120-Y169 HydrophobicContact CG2-CG 3.98Å; T121-Y169 WeakPolarHBondContact CB-O 3.32Å; T121-Y169 PolarHBondContact N-O 2.89Å; T121-Y169 PolarHBondContact OG1-O 2.7Å; K122-Y169 WeakPolarHBondContact O-CD1 3.29Å; K122-Y169 WeakPolarHBondContact O-CE1 3.18Å; H123-Y169 AromaticContact CD2-CE1 4Å; H124-Y169 PolarHBondContact NE2-OH 2.91Å; Y169-W215 CarbonylContact C-O 3.52Å; Y169-W215 WeakPolarHBondContact CA-O 3.18Å; Y169-W215 HydrophobicContact CD2-CB 4.4Å; Y169-W215 AromaticContact CD2-CD2 3.92Å; Y169-W215 HydrophobicContact CD2-CD2 3.92Å; Y169-W215 AromaticContact CD2-CE3 3.21Å; Y169-W215 HydrophobicContact CD2-CE3 3.21Å; Y169-W215 HydrophobicContact CD2-CG 4.43Å; Y169-W215 AromaticContact CD2-CZ3 3.74Å; Y169-W215 HydrophobicContact CD2-CZ3 3.74Å; Y169-W215 HydrophobicContact CE2-CD2 4.42Å; Y169-W215 AromaticContact CE2-CE3 3.4Å; Y169-W215 HydrophobicContact CE2-CE3 3.4Å; Y169-W215 HydrophobicContact CE2-CH2 4.37Å; Y169-W215 AromaticContact CE2-CZ3 3.38Å; Y169-W215 HydrophobicContact CE2-CZ3 3.38Å; Y169-W215 HydrophobicContact CG-CE3 4.46Å; Y169-D217 HydrophobicContact CE2-CB 3.56Å; Y169-D217 WeakPolarHBondContact OH-CB 3.17Å; Y169-D217 PolarHBondContact OH-OD2 3.03Å
170	H	94.3	Very high	89.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116	174.5	-168	88.7	0	0	0	110.9	T121 K122 W131 L172 E201 L202 L205 W215 S216 D217	T121-H170 PolarHBondContact OG1-ND1 2.82Å; K122-H170 WeakPolarHBondContact CE-CE1 3.46Å; K122-H170 VanDerWaalsContact CE-NE2 3.31Å; K122-H170 WeakPolarHBondContact CE-NE2 3.33Å; K122-H170 PolarHBondContact NZ-NE2 2.73Å; K122-H170 VanDerWaalsContact NZ-NE2 3.17Å; W131-H170 AromaticContact CH2-CE1 3.84Å; W131-H170 AromaticContact CH2-ND1 3.88Å; H170-L172 PolarHBondContact O-N 2.69Å; H170-E201 IonicContact CE1-OE2 2.74Å; H170-E201 PolarHBondContact CE1-OE2 2.96Å; H170-E201 IonicContact NE2-OE2 2.86Å; H170-L202 HydrophobicContact CB-CD2 3.88Å; H170-L205 HydrophobicContact CB-CD1 4.31Å; H170-L205 WeakPolarHBondContact ND1-CD1 3.34Å; H170-W215 PolarHBondContact N-O 2.95Å; H170-S216 WeakPolarHBondContact O-CA 3.36Å; H170-D217 PolarHBondContact O-N 3.25Å
171	S	92.8	Very high	89.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.3	168.7	154.9	0	0	0	0	110.5	K122 H124 F173	K122-S171 WeakPolarHBondContact CE-O 2.98Å; K122-S171 PolarHBondContact NZ-O 3.03Å; K122-S171 VanDerWaalsContact O-CB 3.3Å; K122-S171 WeakPolarHBondContact O-CB 3.47Å; K122-S171 PolarHBondContact O-N 2.99Å; H124-S171 WeakPolarHBondContact CA-OG 3.23Å; H124-S171 PolarHBondContact CE1-OG 3.32Å; H124-S171 PolarHBondContact N-OG 2.87Å; H124-S171 VanDerWaalsContact ND1-CB 3.29Å; H124-S171 WeakPolarHBondContact ND1-CB 3.18Å; H124-S171 PolarHBondContact ND1-OG 2.79Å; S171-F173 PolarHBondContact OG-O 2.94Å
172	L	89.2	Confident	89.8	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-78.3	-26.6	-179.2	-61.1	-177.3	0	0	0	112.3	H170 F193 T198 L202 D217 W227 W252	H170-L172 PolarHBondContact O-N 2.69Å; L172-F193 VanDerWaalsContact O-CE1 3.28Å; L172-F193 WeakPolarHBondContact O-CE1 3.38Å; L172-T198 HydrophobicContact CB-CG2 4.13Å; L172-T198 HydrophobicContact CD2-CG2 3.61Å; L172-T198 HydrophobicContact CG-CG2 4.5Å; L172-T198 WeakPolarHBondContact O-CG2 3.49Å; L172-T198 PolarHBondContact O-OG1 2.98Å; L172-L202 HydrophobicContact CD2-CD1 3.76Å; L172-D217 PolarHBondContact N-O 3.48Å; L172-W227 HydrophobicContact CB-CD2 4.07Å; L172-W227 HydrophobicContact CB-CE3 3.98Å; L172-W227 HydrophobicContact CB-CH2 4.16Å; L172-W227 HydrophobicContact CB-CZ2 4.22Å; L172-W227 HydrophobicContact CB-CZ3 4.05Å; L172-W227 HydrophobicContact CD1-CB 4.5Å; L172-W227 HydrophobicContact CD1-CD2 4.27Å; L172-W227 HydrophobicContact CD1-CG 4.13Å; L172-W227 WeakPolarHBondContact O-CH2 3.26Å; L172-W227 WeakPolarHBondContact O-CZ3 3.35Å; L172-W252 HydrophobicContact CD1-CE3 4.2Å
173	F	87.6	Confident	90.4	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	17%	0.168	C	C	.	.			trans	-114.3	158.4	-175.6	62.1	-91.1	0	0	0	113.8	H124 S171 W175 F180 W227	H124-F173 HydrophobicContact CB-CD2 4.16Å; H124-F173 HydrophobicContact CB-CE2 3.66Å; H124-F173 HydrophobicContact CB-CZ 4.26Å; H124-F173 AromaticContact CD2-CZ 3.9Å; H124-F173 AromaticContact CE1-CD1 3.84Å; H124-F173 AromaticContact CE1-CE1 3.16Å; H124-F173 WeakPolarHBondContact CE1-CE1 3.35Å; H124-F173 AromaticContact CE1-CE2 3.8Å; H124-F173 AromaticContact CE1-CZ 3.16Å; H124-F173 WeakPolarHBondContact CE1-CZ 3.24Å; H124-F173 AromaticContact CG-CE2 3.42Å; H124-F173 VanDerWaalsContact CG-CE2 3.42Å; H124-F173 AromaticContact CG-CZ 3.51Å; H124-F173 AromaticContact ND1-CD1 3.67Å; H124-F173 AromaticContact ND1-CD2 3.58Å; H124-F173 AromaticContact ND1-CE1 3.31Å; H124-F173 VanDerWaalsContact ND1-CE1 3.31Å; H124-F173 WeakPolarHBondContact ND1-CE1 3.44Å; H124-F173 AromaticContact ND1-CE2 3.17Å; H124-F173 WeakPolarHBondContact ND1-CE2 3.21Å; H124-F173 AromaticContact ND1-CG 3.82Å; H124-F173 AromaticContact ND1-CZ 3.06Å; H124-F173 WeakPolarHBondContact ND1-CZ 3.29Å; H124-F173 AromaticContact NE2-CZ 3.67Å; S171-F173 PolarHBondContact OG-O 2.94Å; F173-W175 AromaticContact CD2-CD1 3.94Å; F173-W175 AromaticContact CD2-NE1 3.9Å; F173-W175 AromaticContact CE2-CD1 3.83Å; F173-W175 AromaticContact CE2-CE2 3.83Å; F173-W175 HydrophobicContact CE2-CZ2 4.28Å; F173-W175 AromaticContact CE2-NE1 3.31Å; F173-W175 VanDerWaalsContact CE2-NE1 3.31Å; F173-F180 HydrophobicContact CB-CD2 4.25Å; F173-F180 HydrophobicContact CB-CE1 4.26Å; F173-F180 HydrophobicContact CB-CE2 3.7Å; F173-F180 HydrophobicContact CB-CZ 3.71Å; F173-F180 HydrophobicContact CG-CZ 4.48Å; F173-W227 HydrophobicContact CB-CH2 3.61Å; F173-W227 HydrophobicContact CB-CZ2 3.89Å
174	E	88.5	Confident	90.6	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.033	15%	0.151	C	C	.	.			trans	-132.9	112.7	176.6	-73.1	171.3	-157.5	0	0	109.4	K122 F176 N177 F180 F193 K197	K122-E174 IonicContact NZ-OE1 3.59Å; K122-E174 PolarHBondContact NZ-OE1 3.18Å; E174-F176 PolarHBondContact O-N 3Å; E174-F176 VanDerWaalsContact O-N 3.13Å; E174-N177 HydrophobicContact CB-CB 3.61Å; E174-N177 PolarHBondContact O-N 2.71Å; E174-N177 WeakPolarHBondContact OE2-CB 3.13Å; E174-N177 PolarHBondContact OE2-ND2 3.37Å; E174-F180 WeakPolarHBondContact O-CD1 3.49Å; E174-F193 HydrophobicContact CB-CE2 4.14Å; E174-F193 HydrophobicContact CB-CZ 3.82Å; E174-F193 HydrophobicContact CG-CE2 4.23Å; E174-F193 HydrophobicContact CG-CZ 3.77Å; E174-K197 WeakPolarHBondContact OE1-CD 3.35Å; E174-K197 WeakPolarHBondContact OE1-CE 3.11Å; E174-K197 IonicContact OE1-NZ 3.24Å; E174-K197 PolarHBondContact OE1-NZ 3.38Å; E174-K197 IonicContact OE2-NZ 2.7Å; E174-K197 PolarHBondContact OE2-NZ 2.95Å
175	W	84.6	Confident	90.5	Very high	49 Å²	49	33.5 Å²	33.5	19%	0.186	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.9	-171.4	-73.4	-38.2	0	0	0	114	W62 Y65 H124 E125 F173 K181	W62-W175 HydrophobicContact CB-CH2 4.31Å; W62-W175 HydrophobicContact CB-CZ3 4.38Å; W62-W175 AromaticContact CD1-CH2 3.64Å; W62-W175 AromaticContact CD2-CH2 3.68Å; W62-W175 HydrophobicContact CD2-CH2 3.68Å; W62-W175 HydrophobicContact CD2-CZ2 4.46Å; W62-W175 AromaticContact CE2-CH2 3.79Å; W62-W175 HydrophobicContact CE3-CH2 4.29Å; W62-W175 AromaticContact CG-CH2 3.64Å; W62-W175 HydrophobicContact CG-CH2 3.64Å; W62-W175 HydrophobicContact CG-CZ3 4.12Å; W62-W175 HydrophobicContact CZ2-CH2 4.49Å; W62-W175 AromaticContact NE1-CH2 3.77Å; Y65-W175 VanDerWaalsContact CB-CZ3 3.42Å; Y65-W175 AromaticContact CD2-CD2 3.74Å; Y65-W175 HydrophobicContact CD2-CD2 3.74Å; Y65-W175 AromaticContact CD2-CE3 3.69Å; Y65-W175 HydrophobicContact CD2-CE3 3.69Å; Y65-W175 HydrophobicContact CD2-CG 4.22Å; Y65-W175 HydrophobicContact CD2-CH2 4.46Å; Y65-W175 HydrophobicContact CD2-CZ2 4.5Å; Y65-W175 HydrophobicContact CD2-CZ3 4.08Å; Y65-W175 HydrophobicContact CE2-CD2 4.3Å; Y65-W175 HydrophobicContact CG-CD2 4.35Å; Y65-W175 AromaticContact CG-CE3 3.92Å; Y65-W175 HydrophobicContact CG-CE3 3.92Å; Y65-W175 HydrophobicContact CG-CH2 4.19Å; Y65-W175 AromaticContact CG-CZ3 3.84Å; Y65-W175 HydrophobicContact CG-CZ3 3.84Å; H124-W175 HydrophobicContact CB-CD2 4.28Å; H124-W175 HydrophobicContact CB-CE3 4.32Å; H124-W175 HydrophobicContact CB-CH2 4.25Å; H124-W175 HydrophobicContact CB-CZ2 4.21Å; H124-W175 HydrophobicContact CB-CZ3 4.3Å; H124-W175 PolarHBondContact O-N 2.95Å; E125-W175 HydrophobicContact CB-CE3 4.39Å; E125-W175 HydrophobicContact CB-CZ3 4.19Å; F173-W175 AromaticContact CD2-CD1 3.94Å; F173-W175 AromaticContact CD2-NE1 3.9Å; F173-W175 AromaticContact CE2-CD1 3.83Å; F173-W175 AromaticContact CE2-CE2 3.83Å; F173-W175 HydrophobicContact CE2-CZ2 4.28Å; F173-W175 AromaticContact CE2-NE1 3.31Å; F173-W175 VanDerWaalsContact CE2-NE1 3.31Å; W175-K181 WeakPolarHBondContact O-CE 3.31Å
176	F	85.3	Confident	90.2	Very high	39 Å²	39	33.1 Å²	33.1	17%	0.171	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-0.6	-172.3	-58.9	-73.8	0	0	0	113.9	W64 Y65 Q68 E125 E174	W64-F176 HydrophobicContact CB-CE2 4.23Å; W64-F176 AromaticContact CD2-CD2 3.45Å; W64-F176 HydrophobicContact CD2-CD2 3.45Å; W64-F176 VanDerWaalsContact CD2-CD2 3.45Å; W64-F176 AromaticContact CD2-CE2 3.42Å; W64-F176 HydrophobicContact CD2-CE2 3.42Å; W64-F176 VanDerWaalsContact CD2-CE2 3.42Å; W64-F176 HydrophobicContact CD2-CG 4.18Å; W64-F176 HydrophobicContact CD2-CZ 4.17Å; W64-F176 AromaticContact CE2-CD2 3.66Å; W64-F176 AromaticContact CE2-CE2 3.82Å; W64-F176 AromaticContact CE2-CG 3.9Å; W64-F176 AromaticContact CE3-CD2 3.22Å; W64-F176 HydrophobicContact CE3-CD2 3.22Å; W64-F176 AromaticContact CE3-CE2 3.57Å; W64-F176 HydrophobicContact CE3-CE2 3.57Å; W64-F176 HydrophobicContact CE3-CG 4.09Å; W64-F176 HydrophobicContact CG-CD2 4.29Å; W64-F176 AromaticContact CG-CE2 3.76Å; W64-F176 HydrophobicContact CG-CE2 3.76Å; W64-F176 HydrophobicContact CG-CZ 4.24Å; W64-F176 HydrophobicContact CH2-CB 3.24Å; W64-F176 HydrophobicContact CH2-CD1 4.44Å; W64-F176 AromaticContact CH2-CD2 3.49Å; W64-F176 HydrophobicContact CH2-CD2 3.49Å; W64-F176 VanDerWaalsContact CH2-CD2 3.49Å; W64-F176 HydrophobicContact CH2-CE2 4.43Å; W64-F176 AromaticContact CH2-CG 3.47Å; W64-F176 HydrophobicContact CH2-CG 3.47Å; W64-F176 VanDerWaalsContact CH2-CG 3.47Å; W64-F176 HydrophobicContact CZ2-CB 3.72Å; W64-F176 HydrophobicContact CZ2-CD1 4.12Å; W64-F176 AromaticContact CZ2-CD2 3.7Å; W64-F176 HydrophobicContact CZ2-CD2 3.7Å; W64-F176 HydrophobicContact CZ2-CE2 4.32Å; W64-F176 AromaticContact CZ2-CG 3.55Å; W64-F176 HydrophobicContact CZ2-CG 3.55Å; W64-F176 HydrophobicContact CZ3-CB 3.72Å; W64-F176 AromaticContact CZ3-CD2 3.23Å; W64-F176 HydrophobicContact CZ3-CD2 3.23Å; W64-F176 HydrophobicContact CZ3-CE2 4.07Å; W64-F176 AromaticContact CZ3-CG 3.73Å; W64-F176 HydrophobicContact CZ3-CG 3.73Å; Y65-F176 HydrophobicContact CD2-CZ 4.41Å; Q68-F176 HydrophobicContact CB-CE1 3.88Å; Q68-F176 HydrophobicContact CB-CZ 3.91Å; Q68-F176 HydrophobicContact CG-CE1 3.6Å; Q68-F176 HydrophobicContact CG-CZ 3.65Å; E125-F176 WeakPolarHBondContact O-CD2 3.34Å; E174-F176 PolarHBondContact O-N 3Å; E174-F176 VanDerWaalsContact O-N 3.13Å
177	N	86.4	Confident	89.8	Confident	26 Å²	26	40 Å²	40	14%	0.139	22%	0.219	C	C	.	.			trans	-70.1	127.4	179.6	-168.8	-54.4	0	0	0	110.7	E174 L179 F180 K181 F193	E174-N177 HydrophobicContact CB-CB 3.61Å; E174-N177 PolarHBondContact O-N 2.71Å; E174-N177 WeakPolarHBondContact OE2-CB 3.13Å; E174-N177 PolarHBondContact OE2-ND2 3.37Å; N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 3.37Å; N177-L179 WeakPolarHBondContact OD1-CB 3.38Å; N177-L179 PolarHBondContact OD1-N 3.06Å; N177-F180 HydrophobicContact CB-CB 4.13Å; N177-F180 PolarHBondContact O-N 2.52Å; N177-K181 PolarHBondContact O-N 2.88Å; N177-F193 HydrophobicContact CB-CD2 4.35Å; N177-F193 HydrophobicContact CB-CE2 3.93Å; N177-F193 WeakPolarHBondContact ND2-CE2 3.42Å
178	P	88.2	Confident	89.4	Confident	99 Å²	99	41.7 Å²	41.7	64%	0.643	23%	0.227	S	C	*	.	H	α-helix	trans	-56.8	-38.2	179.3	-26.5	35	0	0	0	114	K181 Q182	P178-K181 PolarHBondContact O-N 2.95Å; P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 PolarHBondContact O-N 3.41Å
179	L	88.1	Confident	88.8	Confident	61 Å²	61	47.3 Å²	47.3	32%	0.319	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-43.3	179.6	-61.3	176.7	0	0	0	110.9	N177 Q182 D183 F193	N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 3.37Å; N177-L179 WeakPolarHBondContact OD1-CB 3.38Å; N177-L179 PolarHBondContact OD1-N 3.06Å; L179-Q182 PolarHBondContact O-N 2.87Å; L179-D183 PolarHBondContact O-N 2.95Å; L179-F193 HydrophobicContact CB-CB 3.85Å; L179-F193 HydrophobicContact CB-CD2 4.05Å; L179-F193 HydrophobicContact CB-CG 4.44Å
180	F	87.6	Confident	88.4	Confident	14 Å²	14	48.8 Å²	48.8	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-42.4	176.4	-178.1	-106.9	0	0	0	111.5	F173 E174 N177 Q182 D183 A184 F188 F193 Y226 W227	F173-F180 HydrophobicContact CB-CD2 4.25Å; F173-F180 HydrophobicContact CB-CE1 4.26Å; F173-F180 HydrophobicContact CB-CE2 3.7Å; F173-F180 HydrophobicContact CB-CZ 3.71Å; F173-F180 HydrophobicContact CG-CZ 4.48Å; E174-F180 WeakPolarHBondContact O-CD1 3.49Å; N177-F180 HydrophobicContact CB-CB 4.13Å; N177-F180 PolarHBondContact O-N 2.52Å; F180-Q182 VanDerWaalsContact C-N 3.33Å; F180-Q182 PolarHBondContact O-N 2.85Å; F180-D183 PolarHBondContact O-N 3.37Å; F180-A184 VanDerWaalsContact O-CB 3.27Å; F180-A184 WeakPolarHBondContact O-CB 3.28Å; F180-A184 PolarHBondContact O-N 2.68Å; F180-F188 HydrophobicContact CD2-CE1 4.46Å; F180-F188 AromaticContact CE2-CE1 3.73Å; F180-F188 HydrophobicContact CE2-CE1 3.73Å; F180-F188 HydrophobicContact CE2-CZ 4.35Å; F180-F188 AromaticContact CZ-CE1 3.99Å; F180-F188 HydrophobicContact CZ-CE1 3.99Å; F180-F188 HydrophobicContact CZ-CZ 4.17Å; F180-F193 HydrophobicContact CB-CB 4.4Å; F180-F193 HydrophobicContact CB-CD1 4.05Å; F180-F193 HydrophobicContact CB-CD2 4.02Å; F180-F193 HydrophobicContact CB-CE1 4.3Å; F180-F193 HydrophobicContact CB-CE2 4.28Å; F180-F193 HydrophobicContact CB-CG 3.89Å; F180-F193 HydrophobicContact CB-CZ 4.43Å; F180-F193 AromaticContact CD2-CD1 3.8Å; F180-F193 HydrophobicContact CD2-CD1 3.8Å; F180-F193 HydrophobicContact CD2-CE1 4.05Å; F180-F193 HydrophobicContact CD2-CG 4.39Å; F180-F193 HydrophobicContact CG-CD1 4.37Å; F180-F193 HydrophobicContact CG-CE1 4.48Å; F180-Y226 HydrophobicContact CE2-CE1 4.33Å; F180-W227 HydrophobicContact CD2-CH2 4.16Å; F180-W227 AromaticContact CE2-CH2 3.75Å; F180-W227 HydrophobicContact CE2-CH2 3.75Å; F180-W227 HydrophobicContact CE2-CZ2 4.11Å
181	K	89.3	Confident	88.1	Confident	107 Å²	107	52.7 Å²	52.7	47%	0.465	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-38.6	175.2	-74.1	179.6	174.1	174.1	0	112.7	W175 N177 P178 A185	W175-K181 WeakPolarHBondContact O-CE 3.31Å; N177-K181 PolarHBondContact O-N 2.88Å; P178-K181 PolarHBondContact O-N 2.95Å; K181-A185 WeakPolarHBondContact O-CB 3.33Å; K181-A185 PolarHBondContact O-N 2.95Å
182	Q	90.4	Very high	87.9	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-47	176.1	-179.1	179.7	2.2	0	0	111.1	P178 L179 F180 A184 A185 N186	P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 PolarHBondContact O-N 3.41Å; L179-Q182 PolarHBondContact O-N 2.87Å; F180-Q182 VanDerWaalsContact C-N 3.33Å; F180-Q182 PolarHBondContact O-N 2.85Å; Q182-A184 VanDerWaalsContact C-N 3.35Å; Q182-A185 PolarHBondContact O-N 2.95Å; Q182-N186 PolarHBondContact O-N 2.95Å; Q182-N186 VanDerWaalsContact O-N 3.09Å; Q182-N186 PolarHBondContact O-ND2 3.29Å
183	D	89.4	Confident	87.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-40.8	177.1	-73	-23.6	0	0	0	111.3	L179 F180 A185 N186 L187 F188 T190 Y192 F193 Y226	L179-D183 PolarHBondContact O-N 2.95Å; F180-D183 PolarHBondContact O-N 3.37Å; D183-A185 PolarHBondContact O-N 3.48Å; D183-N186 CarbonylContact O-C 3.47Å; D183-N186 WeakPolarHBondContact O-CA 3.23Å; D183-N186 PolarHBondContact O-N 2.87Å; D183-N186 VanDerWaalsContact O-N 3.12Å; D183-L187 PolarHBondContact O-N 3.32Å; D183-F188 HydrophobicContact CB-CD1 4.46Å; D183-F188 WeakPolarHBondContact O-CA 3.36Å; D183-F188 PolarHBondContact O-N 3.28Å; D183-T190 VanDerWaalsContact OD1-CB 3.22Å; D183-T190 WeakPolarHBondContact OD1-CB 3.42Å; D183-T190 PolarHBondContact OD1-OG1 3.15Å; D183-Y192 WeakPolarHBondContact OD1-CD2 3.47Å; D183-Y192 PolarHBondContact OD2-N 3.18Å; D183-F193 WeakPolarHBondContact OD2-CB 3.48Å; D183-F193 PolarHBondContact OD2-N 2.84Å; D183-Y226 HydrophobicContact CB-CE2 3.73Å; D183-Y226 WeakPolarHBondContact CB-OH 3.43Å; D183-Y226 PolarHBondContact OD2-OH 2.72Å
184	A	88	Confident	87.9	Confident	34 Å²	34	57.9 Å²	57.9	28%	0.281	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-40.7	174.3	0	0	0	0	0	112.5	F180 Q182 N186 L187 F188	F180-A184 VanDerWaalsContact O-CB 3.27Å; F180-A184 WeakPolarHBondContact O-CB 3.28Å; F180-A184 PolarHBondContact O-N 2.68Å; Q182-A184 VanDerWaalsContact C-N 3.35Å; A184-N186 PolarHBondContact O-N 3.01Å; A184-L187 PolarHBondContact O-N 3.36Å; A184-F188 HydrophobicContact CB-CE1 3.71Å; A184-F188 HydrophobicContact CB-CE2 4.49Å; A184-F188 HydrophobicContact CB-CZ 3.66Å
185	A	90.1	Very high	87.9	Confident	80 Å²	80	60.6 Å²	60.6	66%	0.661	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-28.9	174.4	0	0	0	0	0	112.5	K181 Q182 D183 L187	K181-A185 WeakPolarHBondContact O-CB 3.33Å; K181-A185 PolarHBondContact O-N 2.95Å; Q182-A185 PolarHBondContact O-N 2.95Å; D183-A185 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.5Å
186	N	90	Very high	88	Confident	67 Å²	67	61.6 Å²	61.6	36%	0.358	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	18.4	173.4	-66.1	-27.6	0	0	0	113.2	Q182 D183 A184 F188 T189 T190	Q182-N186 PolarHBondContact O-N 2.95Å; Q182-N186 VanDerWaalsContact O-N 3.09Å; Q182-N186 PolarHBondContact O-ND2 3.29Å; D183-N186 CarbonylContact O-C 3.47Å; D183-N186 WeakPolarHBondContact O-CA 3.23Å; D183-N186 PolarHBondContact O-N 2.87Å; D183-N186 VanDerWaalsContact O-N 3.12Å; A184-N186 PolarHBondContact O-N 3.01Å; N186-F188 PolarHBondContact O-N 3.01Å; N186-T189 WeakPolarHBondContact O-CB 3.48Å; N186-T189 WeakPolarHBondContact O-CG2 3.47Å; N186-T189 PolarHBondContact O-N 3.2Å; N186-T189 VanDerWaalsContact O-N 3.12Å; N186-T189 PolarHBondContact O-OG1 3.03Å; N186-T190 PolarHBondContact ND2-OG1 2.75Å
187	L	86.8	Confident	88.2	Confident	148 Å²	148	60.6 Å²	60.6	78%	0.775	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.3	-179.8	-55.2	174.2	0	0	0	113.2	D183 A184 A185 T189	D183-L187 PolarHBondContact O-N 3.32Å; A184-L187 PolarHBondContact O-N 3.36Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.5Å; L187-T189 PolarHBondContact O-N 3.43Å
188	F	87.2	Confident	88.3	Confident	36 Å²	36	59.4 Å²	59.4	16%	0.158	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	25.3	-179.1	-52.4	-70.2	0	0	0	114.7	F180 D183 A184 N186 N221 A222 Y226	F180-F188 HydrophobicContact CD2-CE1 4.46Å; F180-F188 AromaticContact CE2-CE1 3.73Å; F180-F188 HydrophobicContact CE2-CE1 3.73Å; F180-F188 HydrophobicContact CE2-CZ 4.35Å; F180-F188 AromaticContact CZ-CE1 3.99Å; F180-F188 HydrophobicContact CZ-CE1 3.99Å; F180-F188 HydrophobicContact CZ-CZ 4.17Å; D183-F188 HydrophobicContact CB-CD1 4.46Å; D183-F188 WeakPolarHBondContact O-CA 3.36Å; D183-F188 PolarHBondContact O-N 3.28Å; A184-F188 HydrophobicContact CB-CE1 3.71Å; A184-F188 HydrophobicContact CB-CE2 4.49Å; A184-F188 HydrophobicContact CB-CZ 3.66Å; N186-F188 PolarHBondContact O-N 3.01Å; F188-N221 WeakPolarHBondContact CE2-O 3.15Å; F188-A222 HydrophobicContact CD1-CB 3.79Å; F188-A222 HydrophobicContact CD2-CB 4.07Å; F188-A222 HydrophobicContact CE1-CB 3.7Å; F188-A222 HydrophobicContact CE2-CB 3.99Å; F188-A222 HydrophobicContact CG-CB 3.96Å; F188-A222 HydrophobicContact CZ-CB 3.79Å; F188-Y226 HydrophobicContact CB-CD2 3.82Å; F188-Y226 HydrophobicContact CB-CE2 4.38Å; F188-Y226 HydrophobicContact CB-CG 3.95Å; F188-Y226 HydrophobicContact CD1-CD1 4.1Å; F188-Y226 HydrophobicContact CD1-CD2 4.07Å; F188-Y226 AromaticContact CD1-CE1 3.89Å; F188-Y226 HydrophobicContact CD1-CE1 3.89Å; F188-Y226 AromaticContact CD1-CE2 3.9Å; F188-Y226 HydrophobicContact CD1-CE2 3.9Å; F188-Y226 HydrophobicContact CD1-CG 4.15Å; F188-Y226 AromaticContact CD1-CZ 3.78Å; F188-Y226 HydrophobicContact CE1-CE1 4.32Å; F188-Y226 HydrophobicContact CG-CD2 4.41Å; F188-Y226 HydrophobicContact CG-CG 4.39Å
189	T	85.3	Confident	88.5	Confident	118 Å²	118	55.6 Å²	55.6	72%	0.724	30%	0.303	S	S	*	.			trans	-77.8	-26.9	171.6	58.8	0	0	0	0	112.6	N186 L187	N186-T189 WeakPolarHBondContact O-CB 3.48Å; N186-T189 WeakPolarHBondContact O-CG2 3.47Å; N186-T189 PolarHBondContact O-N 3.2Å; N186-T189 VanDerWaalsContact O-N 3.12Å; N186-T189 PolarHBondContact O-OG1 3.03Å; L187-T189 PolarHBondContact O-N 3.43Å
190	T	87.8	Confident	88.7	Confident	32 Å²	32	54.6 Å²	54.6	20%	0.196	30%	0.3	C	S	.	.			trans	-94.3	150.3	168.3	53.6	0	0	0	0	109.8	D183 N186 Y192 Y226	D183-T190 VanDerWaalsContact OD1-CB 3.22Å; D183-T190 WeakPolarHBondContact OD1-CB 3.42Å; D183-T190 PolarHBondContact OD1-OG1 3.15Å; N186-T190 PolarHBondContact ND2-OG1 2.75Å; T190-Y192 HydrophobicContact CG2-CD2 4.41Å; T190-Y192 HydrophobicContact CG2-CE2 3.84Å; T190-Y226 VanDerWaalsContact O-CD2 3.32Å; T190-Y226 WeakPolarHBondContact O-CD2 3.32Å; T190-Y226 WeakPolarHBondContact O-CE2 3.26Å
191	N	87.3	Confident	88.9	Confident	83 Å²	83	53.9 Å²	53.9	44%	0.444	30%	0.297	S	S	.	.			trans	-129.4	35.9	-174.1	67.3	-12.6	0	0	0	112.4	P194 T195 Y226	N191-P194 HydrophobicContact CB-CG 3.91Å; N191-P194 WeakPolarHBondContact O-CD 3.33Å; N191-P194 WeakPolarHBondContact O-CG 3.25Å; N191-T195 HydrophobicContact CB-CG2 4.41Å; N191-T195 WeakPolarHBondContact O-CB 3.27Å; N191-T195 VanDerWaalsContact O-CG2 3.22Å; N191-T195 WeakPolarHBondContact O-CG2 3.26Å; N191-T195 PolarHBondContact O-N 3.16Å; N191-T195 PolarHBondContact O-OG1 2.88Å; N191-Y226 HydrophobicContact CB-CD2 4.21Å; N191-Y226 HydrophobicContact CB-CE2 4.37Å
192	Y	88.6	Confident	89.1	Confident	118 Å²	118	49 Å²	49	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-45.2	-176.4	-67.4	-70.1	0	0	0	111.7	D183 T190 T195 T196	D183-Y192 WeakPolarHBondContact OD1-CD2 3.47Å; D183-Y192 PolarHBondContact OD2-N 3.18Å; T190-Y192 HydrophobicContact CG2-CD2 4.41Å; T190-Y192 HydrophobicContact CG2-CE2 3.84Å; Y192-T195 PolarHBondContact O-OG1 3.49Å; Y192-T195 VanDerWaalsContact O-OG1 3.14Å; Y192-T196 VanDerWaalsContact O-CB 3.31Å; Y192-T196 WeakPolarHBondContact O-CB 3.42Å; Y192-T196 VanDerWaalsContact O-CG2 3.26Å; Y192-T196 WeakPolarHBondContact O-CG2 3.23Å; Y192-T196 PolarHBondContact O-N 2.79Å; Y192-T196 PolarHBondContact O-OG1 3.39Å
193	F	88.4	Confident	89.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-52.7	-179.6	176.9	-103.1	0	0	0	113.5	L172 E174 N177 L179 F180 D183 T195 T196 K197 T198 W227	L172-F193 VanDerWaalsContact O-CE1 3.28Å; L172-F193 WeakPolarHBondContact O-CE1 3.38Å; E174-F193 HydrophobicContact CB-CE2 4.14Å; E174-F193 HydrophobicContact CB-CZ 3.82Å; E174-F193 HydrophobicContact CG-CE2 4.23Å; E174-F193 HydrophobicContact CG-CZ 3.77Å; N177-F193 HydrophobicContact CB-CD2 4.35Å; N177-F193 HydrophobicContact CB-CE2 3.93Å; N177-F193 WeakPolarHBondContact ND2-CE2 3.42Å; L179-F193 HydrophobicContact CB-CB 3.85Å; L179-F193 HydrophobicContact CB-CD2 4.05Å; L179-F193 HydrophobicContact CB-CG 4.44Å; F180-F193 HydrophobicContact CB-CB 4.4Å; F180-F193 HydrophobicContact CB-CD1 4.05Å; F180-F193 HydrophobicContact CB-CD2 4.02Å; F180-F193 HydrophobicContact CB-CE1 4.3Å; F180-F193 HydrophobicContact CB-CE2 4.28Å; F180-F193 HydrophobicContact CB-CG 3.89Å; F180-F193 HydrophobicContact CB-CZ 4.43Å; F180-F193 AromaticContact CD2-CD1 3.8Å; F180-F193 HydrophobicContact CD2-CD1 3.8Å; F180-F193 HydrophobicContact CD2-CE1 4.05Å; F180-F193 HydrophobicContact CD2-CG 4.39Å; F180-F193 HydrophobicContact CG-CD1 4.37Å; F180-F193 HydrophobicContact CG-CE1 4.48Å; D183-F193 WeakPolarHBondContact OD2-CB 3.48Å; D183-F193 PolarHBondContact OD2-N 2.84Å; F193-T195 VanDerWaalsContact C-N 3.35Å; F193-T195 PolarHBondContact O-N 3.46Å; F193-T196 PolarHBondContact O-N 3.25Å; F193-K197 HydrophobicContact CD2-CB 4.45Å; F193-K197 HydrophobicContact CD2-CD 4.49Å; F193-K197 HydrophobicContact CE2-CB 4.38Å; F193-K197 HydrophobicContact CE2-CD 3.83Å; F193-K197 WeakPolarHBondContact O-CB 3.46Å; F193-K197 PolarHBondContact O-N 3.37Å; F193-T198 VanDerWaalsContact CE1-OG1 3.25Å; F193-T198 WeakPolarHBondContact CE1-OG1 3.45Å; F193-W227 HydrophobicContact CD1-CH2 4.29Å; F193-W227 AromaticContact CD1-CZ3 3.94Å; F193-W227 HydrophobicContact CD1-CZ3 3.94Å; F193-W227 HydrophobicContact CE1-CH2 4.16Å; F193-W227 AromaticContact CE1-CZ3 3.94Å; F193-W227 HydrophobicContact CE1-CZ3 3.94Å
194	P	88.9	Confident	89.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	28%	0.282	C	S	.	.	I	π-helix	trans	-65.1	-36.7	-179.3	22.9	-34.1	0	0	0	112.8	N191 L199 Y226 W227	N191-P194 HydrophobicContact CB-CG 3.91Å; N191-P194 WeakPolarHBondContact O-CD 3.33Å; N191-P194 WeakPolarHBondContact O-CG 3.25Å; P194-L199 VanDerWaalsContact O-CB 3.28Å; P194-L199 WeakPolarHBondContact O-CB 3.42Å; P194-L199 WeakPolarHBondContact O-CG 3.36Å; P194-L199 PolarHBondContact O-N 3.26Å; P194-Y226 VanDerWaalsContact CD-OH 3.31Å; P194-Y226 WeakPolarHBondContact CD-OH 3.4Å; P194-Y226 HydrophobicContact CG-CD1 4.37Å; P194-Y226 HydrophobicContact CG-CD2 4.15Å; P194-Y226 HydrophobicContact CG-CE1 4.04Å; P194-Y226 HydrophobicContact CG-CE2 3.76Å; P194-Y226 HydrophobicContact CG-CG 4.45Å; P194-Y226 VanDerWaalsContact CG-O 3.31Å; P194-Y226 WeakPolarHBondContact CG-O 3.48Å; P194-W227 HydrophobicContact CB-CE3 3.92Å; P194-W227 HydrophobicContact CB-CZ3 4.26Å
195	T	88.2	Confident	89.7	Confident	63 Å²	63	48.7 Å²	48.7	39%	0.387	27%	0.268	S	S	.	.	I	π-helix	trans	-73.2	-36.6	-179.2	54.9	0	0	0	0	113.1	N191 Y192 F193 P200	N191-T195 HydrophobicContact CB-CG2 4.41Å; N191-T195 WeakPolarHBondContact O-CB 3.27Å; N191-T195 VanDerWaalsContact O-CG2 3.22Å; N191-T195 WeakPolarHBondContact O-CG2 3.26Å; N191-T195 PolarHBondContact O-N 3.16Å; N191-T195 PolarHBondContact O-OG1 2.88Å; Y192-T195 PolarHBondContact O-OG1 3.49Å; Y192-T195 VanDerWaalsContact O-OG1 3.14Å; F193-T195 VanDerWaalsContact C-N 3.35Å; F193-T195 PolarHBondContact O-N 3.46Å; T195-P200 WeakPolarHBondContact O-CD 3.31Å; T195-P200 WeakPolarHBondContact O-CG 3.35Å
196	T	87.7	Confident	89.9	Confident	70 Å²	70	44.9 Å²	44.9	43%	0.429	24%	0.237	S	C	.	.	I	π-helix	trans	-88.9	-23.6	-177.3	60.1	0	0	0	0	113.6	N135 Y192 F193	N135-T196 PolarHBondContact ND2-O 3.15Å; Y192-T196 VanDerWaalsContact O-CB 3.31Å; Y192-T196 WeakPolarHBondContact O-CB 3.42Å; Y192-T196 VanDerWaalsContact O-CG2 3.26Å; Y192-T196 WeakPolarHBondContact O-CG2 3.23Å; Y192-T196 PolarHBondContact O-N 2.79Å; Y192-T196 PolarHBondContact O-OG1 3.39Å; F193-T196 PolarHBondContact O-N 3.25Å
197	K	88.4	Confident	90.1	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.078	24%	0.244	C	C	.	.	I	π-helix	trans	-127.7	-70.5	-172	-163.9	176.3	-171.6	-173.2	0	113.6	N135 S136 E174 F193 L199 P200 E201	N135-K197 HydrophobicContact CB-CG 4.21Å; S136-K197 WeakPolarHBondContact OG-CE 3.24Å; S136-K197 PolarHBondContact OG-NZ 2.9Å; E174-K197 WeakPolarHBondContact OE1-CD 3.35Å; E174-K197 WeakPolarHBondContact OE1-CE 3.11Å; E174-K197 IonicContact OE1-NZ 3.24Å; E174-K197 PolarHBondContact OE1-NZ 3.38Å; E174-K197 IonicContact OE2-NZ 2.7Å; E174-K197 PolarHBondContact OE2-NZ 2.95Å; F193-K197 HydrophobicContact CD2-CB 4.45Å; F193-K197 HydrophobicContact CD2-CD 4.49Å; F193-K197 HydrophobicContact CE2-CB 4.38Å; F193-K197 HydrophobicContact CE2-CD 3.83Å; F193-K197 WeakPolarHBondContact O-CB 3.46Å; F193-K197 PolarHBondContact O-N 3.37Å; K197-L199 PolarHBondContact O-N 2.77Å; K197-P200 WeakPolarHBondContact O-CD 3.49Å; K197-E201 WeakPolarHBondContact O-CB 3.39Å; K197-E201 VanDerWaalsContact O-CG 3.3Å; K197-E201 WeakPolarHBondContact O-CG 3.44Å; K197-E201 PolarHBondContact O-N 2.81Å
198	T	89.3	Confident	90.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.225	C	C	.	.	I	π-helix	trans	-61.2	-48.9	-168.3	-55.7	0	0	0	0	113.1	L172 F193 E201 L202	L172-T198 HydrophobicContact CB-CG2 4.13Å; L172-T198 HydrophobicContact CD2-CG2 3.61Å; L172-T198 HydrophobicContact CG-CG2 4.5Å; L172-T198 WeakPolarHBondContact O-CG2 3.49Å; L172-T198 PolarHBondContact O-OG1 2.98Å; F193-T198 VanDerWaalsContact CE1-OG1 3.25Å; F193-T198 WeakPolarHBondContact CE1-OG1 3.45Å; T198-E201 PolarHBondContact O-N 3.19Å; T198-L202 HydrophobicContact CG2-CD1 4.21Å; T198-L202 WeakPolarHBondContact O-CG 3.16Å; T198-L202 PolarHBondContact O-N 2.74Å
199	L	91.1	Very high	90.8	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-53	-179.6	-73.7	168.6	0	0	0	111.7	P194 K197 E201 L202 Y203 N228 F232	P194-L199 VanDerWaalsContact O-CB 3.28Å; P194-L199 WeakPolarHBondContact O-CB 3.42Å; P194-L199 WeakPolarHBondContact O-CG 3.36Å; P194-L199 PolarHBondContact O-N 3.26Å; K197-L199 PolarHBondContact O-N 2.77Å; L199-E201 PolarHBondContact O-N 3.38Å; L199-L202 WeakPolarHBondContact O-CB 3.22Å; L199-L202 PolarHBondContact O-N 2.8Å; L199-Y203 HydrophobicContact CB-CD2 4.49Å; L199-Y203 HydrophobicContact CB-CE2 4.28Å; L199-Y203 WeakPolarHBondContact O-CD2 3.29Å; L199-Y203 PolarHBondContact O-N 2.62Å; L199-N228 HydrophobicContact CD1-CB 4.14Å; L199-F232 HydrophobicContact CD2-CB 3.96Å; L199-F232 HydrophobicContact CD2-CD2 4.33Å; L199-F232 HydrophobicContact CD2-CG 4.34Å
200	P	92.8	Very high	91.3	Very high	40 Å²	40	41.4 Å²	41.4	26%	0.26	21%	0.206	S	C	.	.	H	α-helix	trans	-51.2	-41.7	174.3	-29.1	34.3	0	0	0	114.1	T195 K197 Y203 D204	T195-P200 WeakPolarHBondContact O-CD 3.31Å; T195-P200 WeakPolarHBondContact O-CG 3.35Å; K197-P200 WeakPolarHBondContact O-CD 3.49Å; P200-Y203 PolarHBondContact O-N 3.47Å; P200-D204 WeakPolarHBondContact O-CB 3.48Å; P200-D204 PolarHBondContact O-N 2.86Å
201	E	92.6	Very high	91.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-43.7	176.5	-74.5	-179.4	162.1	0	0	112	K122 W131 S133 N135 S136 H170 K197 T198 L199 D204 L205	K122-E201 IonicContact NZ-OE2 3.93Å; K122-E201 PolarHBondContact NZ-OE2 3.32Å; W131-E201 HydrophobicContact CH2-CB 4.36Å; W131-E201 HydrophobicContact CZ2-CB 4.02Å; W131-E201 HydrophobicContact CZ2-CG 4.13Å; S133-E201 WeakPolarHBondContact OG-CG 3.46Å; S133-E201 PolarHBondContact OG-OE1 3.33Å; S133-E201 VanDerWaalsContact OG-OE1 3.07Å; N135-E201 HydrophobicContact CB-CG 4.07Å; S136-E201 PolarHBondContact OG-OE1 2.8Å; H170-E201 IonicContact CE1-OE2 2.74Å; H170-E201 PolarHBondContact CE1-OE2 2.96Å; H170-E201 IonicContact NE2-OE2 2.86Å; K197-E201 WeakPolarHBondContact O-CB 3.39Å; K197-E201 VanDerWaalsContact O-CG 3.3Å; K197-E201 WeakPolarHBondContact O-CG 3.44Å; K197-E201 PolarHBondContact O-N 2.81Å; T198-E201 PolarHBondContact O-N 3.19Å; L199-E201 PolarHBondContact O-N 3.38Å; E201-D204 PolarHBondContact O-N 3.12Å; E201-L205 WeakPolarHBondContact O-CB 3.48Å; E201-L205 VanDerWaalsContact O-CG 3.26Å; E201-L205 WeakPolarHBondContact O-CG 3.27Å; E201-L205 PolarHBondContact O-N 3.36Å
202	L	93	Very high	92	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-44	176.1	-71.9	171	0	0	0	112.3	H170 L172 T198 L199 L205 V206 L214 F232	H170-L202 HydrophobicContact CB-CD2 3.88Å; L172-L202 HydrophobicContact CD2-CD1 3.76Å; T198-L202 HydrophobicContact CG2-CD1 4.21Å; T198-L202 WeakPolarHBondContact O-CG 3.16Å; T198-L202 PolarHBondContact O-N 2.74Å; L199-L202 WeakPolarHBondContact O-CB 3.22Å; L199-L202 PolarHBondContact O-N 2.8Å; L202-L205 PolarHBondContact O-N 2.83Å; L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.43Å; L202-L214 HydrophobicContact CD2-CD1 4.34Å; L202-F232 HydrophobicContact CB-CD2 4.3Å; L202-F232 HydrophobicContact CB-CE1 4.44Å; L202-F232 HydrophobicContact CB-CE2 3.6Å; L202-F232 HydrophobicContact CB-CZ 3.68Å; L202-F232 HydrophobicContact CD1-CD1 4.4Å; L202-F232 HydrophobicContact CD1-CE1 4.29Å; L202-F232 HydrophobicContact CD1-CE2 4.45Å; L202-F232 HydrophobicContact CD1-CZ 4.32Å; L202-F232 HydrophobicContact CG-CZ 4.43Å
203	Y	94.1	Very high	92.3	Very high	70 Å²	70	32.3 Å²	32.3	28%	0.275	16%	0.163	S	C	.	.	H	α-helix	trans	-61.2	-45.4	175.6	-76.2	-78.2	0	0	0	111.3	L199 P200 V206 L207 F232 W235	L199-Y203 HydrophobicContact CB-CD2 4.49Å; L199-Y203 HydrophobicContact CB-CE2 4.28Å; L199-Y203 WeakPolarHBondContact O-CD2 3.29Å; L199-Y203 PolarHBondContact O-N 2.62Å; P200-Y203 PolarHBondContact O-N 3.47Å; Y203-V206 PolarHBondContact O-N 2.85Å; Y203-L207 WeakPolarHBondContact O-CB 3.39Å; Y203-L207 VanDerWaalsContact O-CG 3.23Å; Y203-L207 WeakPolarHBondContact O-CG 3.45Å; Y203-L207 PolarHBondContact O-N 3.27Å; Y203-F232 HydrophobicContact CD1-CE2 4.42Å; Y203-F232 HydrophobicContact CD2-CD2 4.44Å; Y203-F232 HydrophobicContact CE1-CD2 4.24Å; Y203-F232 HydrophobicContact CE1-CE2 4.45Å; Y203-F232 AromaticContact CE2-CD2 3.99Å; Y203-F232 HydrophobicContact CE2-CD2 3.99Å; Y203-F232 HydrophobicContact CG-CE2 4.45Å; Y203-F232 AromaticContact CZ-CD2 3.86Å; Y203-W235 AromaticContact CD1-CD2 3.78Å; Y203-W235 HydrophobicContact CD1-CD2 3.78Å; Y203-W235 AromaticContact CD1-CE2 3.71Å; Y203-W235 AromaticContact CD1-CE3 3.68Å; Y203-W235 HydrophobicContact CD1-CE3 3.68Å; Y203-W235 AromaticContact CD1-CH2 3.51Å; Y203-W235 HydrophobicContact CD1-CH2 3.51Å; Y203-W235 AromaticContact CD1-CZ2 3.6Å; Y203-W235 HydrophobicContact CD1-CZ2 3.6Å; Y203-W235 AromaticContact CD1-CZ3 3.54Å; Y203-W235 HydrophobicContact CD1-CZ3 3.54Å; Y203-W235 HydrophobicContact CE1-CB 4.4Å; Y203-W235 AromaticContact CE1-CD2 3.26Å; Y203-W235 HydrophobicContact CE1-CD2 3.26Å; Y203-W235 AromaticContact CE1-CE2 3.54Å; Y203-W235 AromaticContact CE1-CE3 3.41Å; Y203-W235 HydrophobicContact CE1-CE3 3.41Å; Y203-W235 VanDerWaalsContact CE1-CE3 3.41Å; Y203-W235 AromaticContact CE1-CG 3.69Å; Y203-W235 HydrophobicContact CE1-CG 3.69Å; Y203-W235 HydrophobicContact CE1-CH2 4.08Å; Y203-W235 AromaticContact CE1-CZ2 3.96Å; Y203-W235 HydrophobicContact CE1-CZ2 3.96Å; Y203-W235 AromaticContact CE1-CZ3 3.82Å; Y203-W235 HydrophobicContact CE1-CZ3 3.82Å
204	D	93.4	Very high	92.7	Very high	56 Å²	56	32.3 Å²	32.3	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-61.7	-45.7	178.6	-171.2	50.4	0	0	0	111.5	W131 P200 E201 V206 L207 K208	W131-D204 PolarHBondContact NE1-OD2 3.33Å; P200-D204 WeakPolarHBondContact O-CB 3.48Å; P200-D204 PolarHBondContact O-N 2.86Å; E201-D204 PolarHBondContact O-N 3.12Å; D204-V206 PolarHBondContact O-N 3.46Å; D204-L207 PolarHBondContact O-N 3.46Å; D204-K208 WeakPolarHBondContact O-CB 3.19Å; D204-K208 PolarHBondContact O-N 3.27Å
205	L	93.6	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-46.9	176.8	-75.6	175	0	0	0	112	T121 W131 L168 H170 E201 L202 Y209	T121-L205 HydrophobicContact CG2-CD1 4.33Å; T121-L205 HydrophobicContact CG2-CD2 4.05Å; W131-L205 HydrophobicContact CD2-CD2 3.7Å; W131-L205 HydrophobicContact CE3-CD2 3.87Å; W131-L205 HydrophobicContact CG-CD2 4.35Å; W131-L205 HydrophobicContact CH2-CD1 3.77Å; W131-L205 HydrophobicContact CH2-CD2 3.92Å; W131-L205 HydrophobicContact CH2-CG 3.96Å; W131-L205 HydrophobicContact CZ2-CD1 4.01Å; W131-L205 HydrophobicContact CZ2-CD2 3.7Å; W131-L205 HydrophobicContact CZ2-CG 3.69Å; W131-L205 HydrophobicContact CZ3-CD1 4.26Å; W131-L205 HydrophobicContact CZ3-CD2 4Å; W131-L205 HydrophobicContact CZ3-CG 4.49Å; L168-L205 HydrophobicContact CD1-CD2 4.32Å; H170-L205 HydrophobicContact CB-CD1 4.31Å; H170-L205 WeakPolarHBondContact ND1-CD1 3.34Å; E201-L205 WeakPolarHBondContact O-CB 3.48Å; E201-L205 VanDerWaalsContact O-CG 3.26Å; E201-L205 WeakPolarHBondContact O-CG 3.27Å; E201-L205 PolarHBondContact O-N 3.36Å; L202-L205 PolarHBondContact O-N 2.83Å; L205-Y209 HydrophobicContact CD2-CD2 3.64Å; L205-Y209 HydrophobicContact CD2-CE2 3.72Å; L205-Y209 WeakPolarHBondContact O-CA 3.35Å; L205-Y209 WeakPolarHBondContact O-CB 3.26Å; L205-Y209 PolarHBondContact O-N 3.29Å
206	V	94.4	Very high	93.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-43.7	-178.7	172.8	0	0	0	0	111.4	L202 Y203 D204 K210 P211 L214 F232 W235 L236 V242	L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.43Å; Y203-V206 PolarHBondContact O-N 2.85Å; D204-V206 PolarHBondContact O-N 3.46Å; V206-K210 VanDerWaalsContact O-CA 3.26Å; V206-K210 WeakPolarHBondContact O-CA 3.29Å; V206-K210 PolarHBondContact O-N 2.77Å; V206-P211 HydrophobicContact CG2-CG 4.46Å; V206-L214 HydrophobicContact CG2-CD2 4.25Å; V206-F232 HydrophobicContact CG2-CZ 4.19Å; V206-W235 HydrophobicContact CB-CH2 4.07Å; V206-W235 HydrophobicContact CB-CZ3 4.09Å; V206-W235 HydrophobicContact CG1-CH2 3.77Å; V206-W235 HydrophobicContact CG1-CZ3 3.86Å; V206-W235 HydrophobicContact CG2-CZ3 4.43Å; V206-L236 HydrophobicContact CG1-CD1 3.81Å; V206-L236 HydrophobicContact CG2-CD1 3.91Å; V206-V242 HydrophobicContact CG1-CG2 3.96Å
207	L	94.3	Very high	93.3	Very high	98 Å²	98	27 Å²	27	51%	0.513	13%	0.129	S	C	.	.	H	α-helix	trans	-70.1	-42.8	-177.8	-70.2	173.4	0	0	0	112.3	Y203 D204 W235	Y203-L207 WeakPolarHBondContact O-CB 3.39Å; Y203-L207 VanDerWaalsContact O-CG 3.23Å; Y203-L207 WeakPolarHBondContact O-CG 3.45Å; Y203-L207 PolarHBondContact O-N 3.27Å; D204-L207 PolarHBondContact O-N 3.46Å; L207-W235 HydrophobicContact CD2-CH2 4.32Å; L207-W235 HydrophobicContact CD2-CZ2 4.13Å; L207-W235 HydrophobicContact CG-CH2 4.27Å; L207-W235 HydrophobicContact CG-CZ2 4.4Å
208	K	94	Very high	92.8	Very high	86 Å²	86	26.1 Å²	26.1	37%	0.374	13%	0.126	S	C	.	.	H	α-helix	trans	-78.3	-50.8	-177	-171.6	174.6	174.2	-165.7	0	111.7	D149 D204	D149-K208 IonicContact OD2-NZ 2.68Å; D149-K208 PolarHBondContact OD2-NZ 3.14Å; D204-K208 WeakPolarHBondContact O-CB 3.19Å; D204-K208 PolarHBondContact O-N 3.27Å
209	Y	94.2	Very high	92.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-103	-2.5	-170.7	-53.3	-65.8	0	0	0	114.6	W131 D149 V151 D152 A155 R159 L166 L168 L205 P211	W131-Y209 HydrophobicContact CB-CE2 4.21Å; W131-Y209 WeakPolarHBondContact CB-OH 3.3Å; W131-Y209 AromaticContact CD1-CE2 3.97Å; W131-Y209 HydrophobicContact CG-CE2 4.04Å; D149-Y209 PolarHBondContact OD1-OH 2.94Å; D149-Y209 PolarHBondContact OD2-OH 2.99Å; V151-Y209 HydrophobicContact CB-CE1 4.22Å; V151-Y209 HydrophobicContact CB-CE2 4.23Å; V151-Y209 HydrophobicContact CG1-CD1 3.93Å; V151-Y209 HydrophobicContact CG1-CD2 3.73Å; V151-Y209 HydrophobicContact CG1-CE1 3.98Å; V151-Y209 HydrophobicContact CG1-CE2 3.81Å; V151-Y209 HydrophobicContact CG1-CG 3.79Å; D152-Y209 HydrophobicContact CB-CD1 4.48Å; D152-Y209 HydrophobicContact CB-CE1 3.65Å; A155-Y209 HydrophobicContact CB-CD1 4.36Å; R159-Y209 VanDerWaalsContact NH2-C 3.32Å; R159-Y209 PolarHBondContact NH2-O 3.19Å; L166-Y209 WeakPolarHBondContact CD2-O 3.38Å; L168-Y209 HydrophobicContact CD1-CD2 4.27Å; L168-Y209 HydrophobicContact CD1-CG 4.37Å; L205-Y209 HydrophobicContact CD2-CD2 3.64Å; L205-Y209 HydrophobicContact CD2-CE2 3.72Å; L205-Y209 WeakPolarHBondContact O-CA 3.35Å; L205-Y209 WeakPolarHBondContact O-CB 3.26Å; L205-Y209 PolarHBondContact O-N 3.29Å; Y209-P211 VanDerWaalsContact O-N 3.15Å
210	K	94.9	Very high	90.8	Very high	111 Å²	111	29 Å²	29	48%	0.483	14%	0.143	S	C	.	.			trans	38.7	59.9	172.3	-56.4	178.7	-175.3	176.1	0	113	V206 P241 V242	V206-K210 VanDerWaalsContact O-CA 3.26Å; V206-K210 WeakPolarHBondContact O-CA 3.29Å; V206-K210 PolarHBondContact O-N 2.77Å; K210-P241 HydrophobicContact CD-CB 4.36Å; K210-P241 HydrophobicContact CG-CB 4.35Å; K210-P241 HydrophobicContact CG-CG 4.01Å; K210-V242 HydrophobicContact CB-CG1 3.63Å; K210-V242 HydrophobicContact CG-CG1 4.44Å
211	P	95.3	Very high	90.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.			trans	-73.4	149.3	-179.1	33.2	-35.7	0	0	0	111.3	L166 L168 V206 Y209 V242	L166-P211 CarbonylContact O-C 3.57Å; L168-P211 HydrophobicContact CB-CB 4.26Å; L168-P211 HydrophobicContact CD1-CB 3.9Å; L168-P211 HydrophobicContact CD1-CG 4.08Å; L168-P211 HydrophobicContact CG-CB 3.88Å; L168-P211 HydrophobicContact CG-CG 4.49Å; V206-P211 HydrophobicContact CG2-CG 4.46Å; Y209-P211 VanDerWaalsContact O-N 3.15Å; P211-V242 WeakPolarHBondContact O-CG1 3.2Å
212	E	94.3	Very high	89.7	Confident	42 Å²	42	33 Å²	33	20%	0.196	16%	0.162	C	C	.	.	S	Bend	trans	-96.3	-18.9	174.2	-60.3	-176	103.1	0	0	112.1	W38 R165 L166 V246 V247	W38-E212 HydrophobicContact CH2-CB 4.39Å; W38-E212 HydrophobicContact CZ2-CB 3.92Å; R165-E212 WeakPolarHBondContact CA-OE2 3.44Å; R165-E212 HydrophobicContact CB-CB 4.4Å; R165-E212 WeakPolarHBondContact CB-OE2 3.48Å; R165-E212 WeakPolarHBondContact CG-OE2 3.18Å; R165-E212 IonicContact CZ-OE1 2.67Å; R165-E212 IonicContact NH1-OE1 2.79Å; R165-E212 PolarHBondContact NH1-OE1 2.84Å; R165-E212 IonicContact NH1-OE2 2.8Å; L166-E212 PolarHBondContact O-N 2.89Å; E212-V246 CarbonylContact O-C 3.6Å; E212-V246 VanDerWaalsContact O-CA 3.24Å; E212-V246 WeakPolarHBondContact O-CA 3.46Å; E212-V247 WeakPolarHBondContact O-CG2 3.25Å; E212-V247 PolarHBondContact O-N 2.83Å
213	V	95.9	Very high	89.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	165.9	-175.9	0	0	0	0	108.3	W38 Y116 V118 L166 G167 L168 V247	W38-V213 HydrophobicContact CH2-CG2 3.61Å; W38-V213 HydrophobicContact CZ2-CG2 4.32Å; Y116-V213 HydrophobicContact CD2-CG2 4.02Å; V118-V213 HydrophobicContact CG2-CG1 4.19Å; L166-V213 PolarHBondContact O-N 3.04Å; G167-V213 CarbonylContact C-O 3.46Å; G167-V213 WeakPolarHBondContact CA-O 3.39Å; L168-V213 PolarHBondContact N-O 3Å; V213-V247 HydrophobicContact CB-CG2 4.08Å; V213-V247 HydrophobicContact CG1-CG2 4.05Å; V213-V247 HydrophobicContact CG2-CG2 3.7Å
214	L	95.9	Very high	89.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.4	168.5	-176.2	64.4	0	0	0	108.4	L202 V206 F232 L236 V246 V247 T248 W252	L202-L214 HydrophobicContact CD2-CD1 4.34Å; V206-L214 HydrophobicContact CG2-CD2 4.25Å; L214-F232 HydrophobicContact CD2-CE1 3.56Å; L214-F232 HydrophobicContact CD2-CZ 3.8Å; L214-L236 HydrophobicContact CD2-CD2 3.97Å; L214-V246 HydrophobicContact CB-CG2 4.4Å; L214-V247 PolarHBondContact N-O 2.98Å; L214-T248 HydrophobicContact CB-CG2 4.33Å; L214-T248 WeakPolarHBondContact O-CA 3.4Å; L214-W252 HydrophobicContact CD2-CH2 3.84Å; L214-W252 HydrophobicContact CD2-CZ2 4.43Å; L214-W252 HydrophobicContact CG-CH2 4.2Å
215	W	95.4	Very high	88.8	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.9	-177.4	-154.3	111.6	0	0	0	108.4	F47 V118 L168 Y169 H170 D217 N249 R251 T265 E281	F47-W215 HydrophobicContact CE1-CD2 4.39Å; F47-W215 HydrophobicContact CE1-CZ2 4.27Å; F47-W215 HydrophobicContact CZ-CD2 4.22Å; F47-W215 HydrophobicContact CZ-CE3 4.44Å; V118-W215 HydrophobicContact CG1-CB 3.87Å; V118-W215 HydrophobicContact CG1-CG 4.41Å; L168-W215 PolarHBondContact O-N 3.34Å; Y169-W215 CarbonylContact C-O 3.52Å; Y169-W215 WeakPolarHBondContact CA-O 3.18Å; Y169-W215 HydrophobicContact CD2-CB 4.4Å; Y169-W215 AromaticContact CD2-CD2 3.92Å; Y169-W215 HydrophobicContact CD2-CD2 3.92Å; Y169-W215 AromaticContact CD2-CE3 3.21Å; Y169-W215 HydrophobicContact CD2-CE3 3.21Å; Y169-W215 HydrophobicContact CD2-CG 4.43Å; Y169-W215 AromaticContact CD2-CZ3 3.74Å; Y169-W215 HydrophobicContact CD2-CZ3 3.74Å; Y169-W215 HydrophobicContact CE2-CD2 4.42Å; Y169-W215 AromaticContact CE2-CE3 3.4Å; Y169-W215 HydrophobicContact CE2-CE3 3.4Å; Y169-W215 HydrophobicContact CE2-CH2 4.37Å; Y169-W215 AromaticContact CE2-CZ3 3.38Å; Y169-W215 HydrophobicContact CE2-CZ3 3.38Å; Y169-W215 HydrophobicContact CG-CE3 4.46Å; H170-W215 PolarHBondContact N-O 2.95Å; W215-D217 HydrophobicContact CE3-CB 4.37Å; W215-D217 HydrophobicContact CZ3-CB 3.76Å; W215-N249 HydrophobicContact CD2-CB 4.47Å; W215-N249 VanDerWaalsContact CD2-ND2 3.29Å; W215-N249 VanDerWaalsContact CE3-ND2 3.31Å; W215-N249 HydrophobicContact CG-CB 4.42Å; W215-R251 VanDerWaalsContact CH2-CD 3.5Å; W215-R251 HydrophobicContact CH2-CG 4.48Å; W215-T265 HydrophobicContact CZ2-CG2 4.14Å; W215-E281 PolarHBondContact NE1-OE2 3.48Å
216	S	93.3	Very high	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	152.1	178.4	65.7	0	0	0	0	111	H170 N249 R251 W252	H170-S216 WeakPolarHBondContact O-CA 3.36Å; S216-N249 PolarHBondContact N-OD1 2.83Å; S216-N249 PolarHBondContact O-ND2 3.3Å; S216-N249 PolarHBondContact OG-OD1 2.8Å; S216-R251 WeakPolarHBondContact O-CB 3.34Å; S216-R251 VanDerWaalsContact OG-C 3.31Å; S216-R251 PolarHBondContact OG-O 3.23Å; S216-W252 WeakPolarHBondContact OG-CZ2 3.44Å; S216-W252 PolarHBondContact OG-NE1 3.32Å
217	D	89.2	Confident	88.2	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	95.1	168.3	-156.9	-5.2	0	0	0	109.8	H124 Y169 H170 L172 W215 R251	H124-D217 IonicContact CD2-OD2 2.66Å; H124-D217 VanDerWaalsContact CE1-CB 3.45Å; H124-D217 WeakPolarHBondContact CE1-CB 3.18Å; H124-D217 PolarHBondContact CE1-O 3.22Å; H124-D217 IonicContact CE1-OD2 3.41Å; H124-D217 PolarHBondContact CE1-OD2 2.75Å; H124-D217 IonicContact NE2-OD1 3.69Å; H124-D217 IonicContact NE2-OD2 3.01Å; H124-D217 PolarHBondContact NE2-OD2 3.25Å; Y169-D217 HydrophobicContact CE2-CB 3.56Å; Y169-D217 WeakPolarHBondContact OH-CB 3.17Å; Y169-D217 PolarHBondContact OH-OD2 3.03Å; H170-D217 PolarHBondContact O-N 3.25Å; L172-D217 PolarHBondContact N-O 3.48Å; W215-D217 HydrophobicContact CE3-CB 4.37Å; W215-D217 HydrophobicContact CZ3-CB 3.76Å; D217-R251 IonicContact OD1-NH1 3.53Å
218	G	78.9	Confident	88	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.			trans	-110.1	-0.4	-169.8	0	0	0	0	0	115.8	G220 W227 R251	G218-G220 PolarHBondContact O-N 3.13Å; G218-W227 PolarHBondContact O-NE1 2.85Å; G218-R251 WeakPolarHBondContact CA-O 3.24Å; G218-R251 PolarHBondContact N-O 3.14Å
219	D	73.7	Confident	87.8	Confident	72 Å²	72	34.8 Å²	34.8	39%	0.385	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	65.3	-177.2	-165.5	18.9	0	0	0	111.4	I257	D219-I257 HydrophobicContact CB-CD1 3.86Å; D219-I257 WeakPolarHBondContact OD2-CD1 3.38Å
220	G	63.9	Low	87.6	Confident	9 Å²	9	35.9 Å²	35.9	9%	0.093	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	29.8	-179.5	0	0	0	0	0	112.5	G218 A222	G218-G220 PolarHBondContact O-N 3.13Å; G220-A222 PolarHBondContact O-N 3Å
221	N	77.8	Confident	87.5	Confident	123 Å²	123	31.4 Å²	31.4	66%	0.658	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	13.5	-170.1	-55.9	-55.8	0	0	0	115.4	F188	F188-N221 WeakPolarHBondContact CE2-O 3.15Å
222	A	84.3	Confident	87.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.			trans	-109.6	132.7	-179	0	0	0	0	0	110.8	F188 G220 Y226 W227 L254	F188-A222 HydrophobicContact CD1-CB 3.79Å; F188-A222 HydrophobicContact CD2-CB 4.07Å; F188-A222 HydrophobicContact CE1-CB 3.7Å; F188-A222 HydrophobicContact CE2-CB 3.99Å; F188-A222 HydrophobicContact CG-CB 3.96Å; F188-A222 HydrophobicContact CZ-CB 3.79Å; G220-A222 PolarHBondContact O-N 3Å; A222-Y226 HydrophobicContact CB-CD1 3.59Å; A222-Y226 HydrophobicContact CB-CE1 3.98Å; A222-Y226 HydrophobicContact CB-CG 4.37Å; A222-W227 HydrophobicContact CB-CZ2 3.66Å; A222-W227 PolarHBondContact O-NE1 3.32Å; A222-L254 WeakPolarHBondContact O-CB 3.39Å; A222-L254 PolarHBondContact O-N 2.91Å
223	P	87.4	Confident	87.3	Confident	48 Å²	48	29.5 Å²	29.5	31%	0.312	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-67.3	155.9	-178.8	29	-34.9	0	0	0	112	K225 Y226 W227	P223-K225 PolarHBondContact O-N 3.34Å; P223-K225 VanDerWaalsContact O-N 3.15Å; P223-Y226 WeakPolarHBondContact O-CB 3.41Å; P223-Y226 PolarHBondContact O-N 2.81Å; P223-W227 VanDerWaalsContact O-CD1 3.29Å
224	D	86.5	Confident	87.1	Confident	31 Å²	31	29.8 Å²	29.8	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-51.2	-35.1	174	65	-46.8	0	0	0	113.9	W27 Y226 W227 N228 S229	W27-D224 HydrophobicContact CZ2-CB 3.79Å; W27-D224 PolarHBondContact NE1-OD2 2.67Å; D224-Y226 VanDerWaalsContact C-N 3.32Å; D224-Y226 PolarHBondContact O-N 2.83Å; D224-W227 PolarHBondContact O-N 2.9Å; D224-N228 PolarHBondContact O-N 3.17Å; D224-N228 VanDerWaalsContact O-N 3.15Å; D224-S229 PolarHBondContact O-N 2.98Å
225	K	87.9	Confident	87.1	Confident	178 Å²	178	32.2 Å²	32.2	77%	0.774	17%	0.169	S	C	*	.	H	α-helix	trans	-62.6	-35.9	177.1	-65.2	-175.6	-177.6	177.6	0	113.2	P223 W227 N228	P223-K225 PolarHBondContact O-N 3.34Å; P223-K225 VanDerWaalsContact O-N 3.15Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-N228 PolarHBondContact O-N 2.67Å
226	Y	87.7	Confident	86.9	Confident	8 Å²	8	32 Å²	32	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-40	178.5	162.8	-101.4	0	0	0	110.9	F180 D183 F188 T190 N191 P194 A222 P223 D224 N228	F180-Y226 HydrophobicContact CE2-CE1 4.33Å; D183-Y226 HydrophobicContact CB-CE2 3.73Å; D183-Y226 WeakPolarHBondContact CB-OH 3.43Å; D183-Y226 PolarHBondContact OD2-OH 2.72Å; F188-Y226 HydrophobicContact CB-CD2 3.82Å; F188-Y226 HydrophobicContact CB-CE2 4.38Å; F188-Y226 HydrophobicContact CB-CG 3.95Å; F188-Y226 HydrophobicContact CD1-CD1 4.1Å; F188-Y226 HydrophobicContact CD1-CD2 4.07Å; F188-Y226 AromaticContact CD1-CE1 3.89Å; F188-Y226 HydrophobicContact CD1-CE1 3.89Å; F188-Y226 AromaticContact CD1-CE2 3.9Å; F188-Y226 HydrophobicContact CD1-CE2 3.9Å; F188-Y226 HydrophobicContact CD1-CG 4.15Å; F188-Y226 AromaticContact CD1-CZ 3.78Å; F188-Y226 HydrophobicContact CE1-CE1 4.32Å; F188-Y226 HydrophobicContact CG-CD2 4.41Å; F188-Y226 HydrophobicContact CG-CG 4.39Å; T190-Y226 VanDerWaalsContact O-CD2 3.32Å; T190-Y226 WeakPolarHBondContact O-CD2 3.32Å; T190-Y226 WeakPolarHBondContact O-CE2 3.26Å; N191-Y226 HydrophobicContact CB-CD2 4.21Å; N191-Y226 HydrophobicContact CB-CE2 4.37Å; P194-Y226 VanDerWaalsContact CD-OH 3.31Å; P194-Y226 WeakPolarHBondContact CD-OH 3.4Å; P194-Y226 HydrophobicContact CG-CD1 4.37Å; P194-Y226 HydrophobicContact CG-CD2 4.15Å; P194-Y226 HydrophobicContact CG-CE1 4.04Å; P194-Y226 HydrophobicContact CG-CE2 3.76Å; P194-Y226 HydrophobicContact CG-CG 4.45Å; P194-Y226 VanDerWaalsContact CG-O 3.31Å; P194-Y226 WeakPolarHBondContact CG-O 3.48Å; A222-Y226 HydrophobicContact CB-CD1 3.59Å; A222-Y226 HydrophobicContact CB-CE1 3.98Å; A222-Y226 HydrophobicContact CB-CG 4.37Å; P223-Y226 WeakPolarHBondContact O-CB 3.41Å; P223-Y226 PolarHBondContact O-N 2.81Å; D224-Y226 VanDerWaalsContact C-N 3.32Å; D224-Y226 PolarHBondContact O-N 2.83Å; Y226-N228 PolarHBondContact O-N 3.05Å
227	W	86.4	Confident	86.9	Confident	5 Å²	5	32.1 Å²	32.1	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-72.9	-15.6	176.6	-58.7	119.3	0	0	0	113.8	L172 F173 F180 F193 P194 G218 A222 P223 D224 K225 S229	L172-W227 HydrophobicContact CB-CD2 4.07Å; L172-W227 HydrophobicContact CB-CE3 3.98Å; L172-W227 HydrophobicContact CB-CH2 4.16Å; L172-W227 HydrophobicContact CB-CZ2 4.22Å; L172-W227 HydrophobicContact CB-CZ3 4.05Å; L172-W227 HydrophobicContact CD1-CB 4.5Å; L172-W227 HydrophobicContact CD1-CD2 4.27Å; L172-W227 HydrophobicContact CD1-CG 4.13Å; L172-W227 WeakPolarHBondContact O-CH2 3.26Å; L172-W227 WeakPolarHBondContact O-CZ3 3.35Å; F173-W227 HydrophobicContact CB-CH2 3.61Å; F173-W227 HydrophobicContact CB-CZ2 3.89Å; F180-W227 HydrophobicContact CD2-CH2 4.16Å; F180-W227 AromaticContact CE2-CH2 3.75Å; F180-W227 HydrophobicContact CE2-CH2 3.75Å; F180-W227 HydrophobicContact CE2-CZ2 4.11Å; F193-W227 HydrophobicContact CD1-CH2 4.29Å; F193-W227 AromaticContact CD1-CZ3 3.94Å; F193-W227 HydrophobicContact CD1-CZ3 3.94Å; F193-W227 HydrophobicContact CE1-CH2 4.16Å; F193-W227 AromaticContact CE1-CZ3 3.94Å; F193-W227 HydrophobicContact CE1-CZ3 3.94Å; P194-W227 HydrophobicContact CB-CE3 3.92Å; P194-W227 HydrophobicContact CB-CZ3 4.26Å; G218-W227 PolarHBondContact O-NE1 2.85Å; A222-W227 HydrophobicContact CB-CZ2 3.66Å; A222-W227 PolarHBondContact O-NE1 3.32Å; P223-W227 VanDerWaalsContact O-CD1 3.29Å; D224-W227 PolarHBondContact O-N 2.9Å; K225-W227 VanDerWaalsContact C-N 3.33Å; W227-S229 VanDerWaalsContact CB-OG 3.25Å; W227-S229 WeakPolarHBondContact CB-OG 3.2Å; W227-S229 PolarHBondContact O-N 2.94Å
228	N	90.4	Very high	86.9	Confident	78 Å²	78	32.6 Å²	32.6	42%	0.417	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	40.4	-166	-168.2	24.8	0	0	0	111.9	L199 D224 K225 Y226 T230 G231 F232	L199-N228 HydrophobicContact CD1-CB 4.14Å; D224-N228 PolarHBondContact O-N 3.17Å; D224-N228 VanDerWaalsContact O-N 3.15Å; K225-N228 PolarHBondContact O-N 2.67Å; Y226-N228 PolarHBondContact O-N 3.05Å; N228-T230 VanDerWaalsContact C-N 3.35Å; N228-T230 PolarHBondContact O-N 2.86Å; N228-G231 PolarHBondContact O-N 3.45Å; N228-F232 PolarHBondContact O-N 2.9Å
229	S	90.1	Very high	87.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-41.7	-174	-66.4	0	0	0	0	112.3	D224 W227 G231 F232 L233 W252	D224-S229 PolarHBondContact O-N 2.98Å; W227-S229 VanDerWaalsContact CB-OG 3.25Å; W227-S229 WeakPolarHBondContact CB-OG 3.2Å; W227-S229 PolarHBondContact O-N 2.94Å; S229-G231 PolarHBondContact O-N 3.41Å; S229-F232 PolarHBondContact O-N 3.35Å; S229-L233 WeakPolarHBondContact O-CB 3.11Å; S229-L233 WeakPolarHBondContact O-CG 3.28Å; S229-L233 PolarHBondContact O-N 2.86Å; S229-W252 PolarHBondContact OG-O 3.11Å
230	T	90.8	Very high	88.3	Confident	24 Å²	24	34.4 Å²	34.4	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-38.5	178.8	62.4	0	0	0	0	112.3	P25 W27 I30 N228 A234	P25-T230 VanDerWaalsContact O-CB 3.27Å; P25-T230 WeakPolarHBondContact O-CB 3.38Å; P25-T230 PolarHBondContact O-OG1 3.28Å; W27-T230 HydrophobicContact CD2-CG2 3.76Å; W27-T230 VanDerWaalsContact CE2-CG2 3.43Å; W27-T230 HydrophobicContact CE3-CG2 4.31Å; W27-T230 HydrophobicContact CG-CG2 4.14Å; W27-T230 HydrophobicContact CH2-CG2 4.32Å; W27-T230 HydrophobicContact CZ2-CG2 3.77Å; I30-T230 HydrophobicContact CD1-CG2 4.08Å; N228-T230 VanDerWaalsContact C-N 3.35Å; N228-T230 PolarHBondContact O-N 2.86Å; T230-A234 VanDerWaalsContact O-CB 3.31Å; T230-A234 WeakPolarHBondContact O-CB 3.32Å; T230-A234 PolarHBondContact O-N 2.89Å
231	G	91.4	Very high	89.6	Confident	17 Å²	17	37.2 Å²	37.2	18%	0.175	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-45	174.8	0	0	0	0	0	112.4	N228 S229 W235	N228-G231 PolarHBondContact O-N 3.45Å; S229-G231 PolarHBondContact O-N 3.41Å; G231-W235 PolarHBondContact O-N 3.38Å; G231-W235 VanDerWaalsContact O-N 3.16Å
232	F	93.1	Very high	90.3	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-44.9	177	175.1	-98.7	0	0	0	112.4	L199 L202 Y203 V206 L214 N228 S229 A234 W235 L236 W252	L199-F232 HydrophobicContact CD2-CB 3.96Å; L199-F232 HydrophobicContact CD2-CD2 4.33Å; L199-F232 HydrophobicContact CD2-CG 4.34Å; L202-F232 HydrophobicContact CB-CD2 4.3Å; L202-F232 HydrophobicContact CB-CE1 4.44Å; L202-F232 HydrophobicContact CB-CE2 3.6Å; L202-F232 HydrophobicContact CB-CZ 3.68Å; L202-F232 HydrophobicContact CD1-CD1 4.4Å; L202-F232 HydrophobicContact CD1-CE1 4.29Å; L202-F232 HydrophobicContact CD1-CE2 4.45Å; L202-F232 HydrophobicContact CD1-CZ 4.32Å; L202-F232 HydrophobicContact CG-CZ 4.43Å; Y203-F232 HydrophobicContact CD1-CE2 4.42Å; Y203-F232 HydrophobicContact CD2-CD2 4.44Å; Y203-F232 HydrophobicContact CE1-CD2 4.24Å; Y203-F232 HydrophobicContact CE1-CE2 4.45Å; Y203-F232 AromaticContact CE2-CD2 3.99Å; Y203-F232 HydrophobicContact CE2-CD2 3.99Å; Y203-F232 HydrophobicContact CG-CE2 4.45Å; Y203-F232 AromaticContact CZ-CD2 3.86Å; V206-F232 HydrophobicContact CG2-CZ 4.19Å; L214-F232 HydrophobicContact CD2-CE1 3.56Å; L214-F232 HydrophobicContact CD2-CZ 3.8Å; N228-F232 PolarHBondContact O-N 2.9Å; S229-F232 PolarHBondContact O-N 3.35Å; F232-A234 PolarHBondContact O-N 2.96Å; F232-W235 HydrophobicContact CD2-CE3 4.24Å; F232-W235 AromaticContact CE2-CE3 3.94Å; F232-W235 HydrophobicContact CE2-CE3 3.94Å; F232-W235 AromaticContact CE2-CZ3 3.88Å; F232-W235 HydrophobicContact CE2-CZ3 3.88Å; F232-W235 HydrophobicContact CZ-CZ3 4.37Å; F232-W235 WeakPolarHBondContact O-CB 3.08Å; F232-W235 PolarHBondContact O-N 2.75Å; F232-L236 HydrophobicContact CE1-CD2 4.25Å; F232-L236 WeakPolarHBondContact O-CB 3.47Å; F232-L236 PolarHBondContact O-N 3.34Å; F232-W252 HydrophobicContact CD1-CH2 4.07Å; F232-W252 AromaticContact CD1-CZ3 3.84Å; F232-W252 HydrophobicContact CD1-CZ3 3.84Å; F232-W252 AromaticContact CE1-CH2 3.86Å; F232-W252 HydrophobicContact CE1-CH2 3.86Å; F232-W252 HydrophobicContact CE1-CZ3 4.04Å
233	L	92.6	Very high	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-39.9	178.4	-71.2	173.6	0	0	0	112	W27 I30 S229 W235 L236 Y237 T248 W252	W27-L233 HydrophobicContact CH2-CD1 3.86Å; W27-L233 HydrophobicContact CZ3-CD1 3.66Å; I30-L233 HydrophobicContact CD1-CB 3.85Å; I30-L233 HydrophobicContact CD1-CD1 4.41Å; I30-L233 HydrophobicContact CG1-CB 4.29Å; I30-L233 HydrophobicContact CG2-CB 4.46Å; I30-L233 HydrophobicContact CG2-CD1 4.14Å; S229-L233 WeakPolarHBondContact O-CB 3.11Å; S229-L233 WeakPolarHBondContact O-CG 3.28Å; S229-L233 PolarHBondContact O-N 2.86Å; L233-W235 VanDerWaalsContact C-N 3.35Å; L233-W235 PolarHBondContact O-N 3.17Å; L233-L236 HydrophobicContact CD2-CD2 4.24Å; L233-L236 WeakPolarHBondContact O-CB 3.37Å; L233-L236 PolarHBondContact O-N 3.1Å; L233-Y237 HydrophobicContact CB-CD2 4.49Å; L233-Y237 HydrophobicContact CB-CE2 4.11Å; L233-Y237 HydrophobicContact CD2-CE2 4.31Å; L233-Y237 WeakPolarHBondContact O-CD2 3.49Å; L233-Y237 PolarHBondContact O-N 3.4Å; L233-T248 HydrophobicContact CD2-CG2 3.72Å; L233-W252 HydrophobicContact CD1-CD2 4.1Å; L233-W252 HydrophobicContact CD1-CG 4.12Å; L233-W252 HydrophobicContact CD2-CD2 4.26Å; L233-W252 HydrophobicContact CD2-CH2 4.06Å; L233-W252 HydrophobicContact CD2-CZ2 3.71Å; L233-W252 HydrophobicContact CD2-CZ3 4.47Å; L233-W252 HydrophobicContact CG-CD2 4.38Å
234	A	92.9	Very high	90.4	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-43.6	174	0	0	0	0	0	111.7	P25 T230 F232 Y237 N238	P25-A234 HydrophobicContact CB-CB 4.18Å; T230-A234 VanDerWaalsContact O-CB 3.31Å; T230-A234 WeakPolarHBondContact O-CB 3.32Å; T230-A234 PolarHBondContact O-N 2.89Å; F232-A234 PolarHBondContact O-N 2.96Å; A234-Y237 PolarHBondContact O-N 2.99Å; A234-N238 VanDerWaalsContact O-CB 3.28Å; A234-N238 WeakPolarHBondContact O-CB 3.48Å; A234-N238 VanDerWaalsContact O-CG 3.25Å; A234-N238 PolarHBondContact O-N 3.24Å; A234-N238 PolarHBondContact O-ND2 2.96Å
235	W	94.6	Very high	90.6	Very high	50 Å²	50	38.8 Å²	38.8	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-44.3	172.5	171.7	84.4	0	0	0	112	Y203 V206 L207 G231 F232 L233 Y237 N238 D239 S240	Y203-W235 AromaticContact CD1-CD2 3.78Å; Y203-W235 HydrophobicContact CD1-CD2 3.78Å; Y203-W235 AromaticContact CD1-CE2 3.71Å; Y203-W235 AromaticContact CD1-CE3 3.68Å; Y203-W235 HydrophobicContact CD1-CE3 3.68Å; Y203-W235 AromaticContact CD1-CH2 3.51Å; Y203-W235 HydrophobicContact CD1-CH2 3.51Å; Y203-W235 AromaticContact CD1-CZ2 3.6Å; Y203-W235 HydrophobicContact CD1-CZ2 3.6Å; Y203-W235 AromaticContact CD1-CZ3 3.54Å; Y203-W235 HydrophobicContact CD1-CZ3 3.54Å; Y203-W235 HydrophobicContact CE1-CB 4.4Å; Y203-W235 AromaticContact CE1-CD2 3.26Å; Y203-W235 HydrophobicContact CE1-CD2 3.26Å; Y203-W235 AromaticContact CE1-CE2 3.54Å; Y203-W235 AromaticContact CE1-CE3 3.41Å; Y203-W235 HydrophobicContact CE1-CE3 3.41Å; Y203-W235 VanDerWaalsContact CE1-CE3 3.41Å; Y203-W235 AromaticContact CE1-CG 3.69Å; Y203-W235 HydrophobicContact CE1-CG 3.69Å; Y203-W235 HydrophobicContact CE1-CH2 4.08Å; Y203-W235 AromaticContact CE1-CZ2 3.96Å; Y203-W235 HydrophobicContact CE1-CZ2 3.96Å; Y203-W235 AromaticContact CE1-CZ3 3.82Å; Y203-W235 HydrophobicContact CE1-CZ3 3.82Å; V206-W235 HydrophobicContact CB-CH2 4.07Å; V206-W235 HydrophobicContact CB-CZ3 4.09Å; V206-W235 HydrophobicContact CG1-CH2 3.77Å; V206-W235 HydrophobicContact CG1-CZ3 3.86Å; V206-W235 HydrophobicContact CG2-CZ3 4.43Å; L207-W235 HydrophobicContact CD2-CH2 4.32Å; L207-W235 HydrophobicContact CD2-CZ2 4.13Å; L207-W235 HydrophobicContact CG-CH2 4.27Å; L207-W235 HydrophobicContact CG-CZ2 4.4Å; G231-W235 PolarHBondContact O-N 3.38Å; G231-W235 VanDerWaalsContact O-N 3.16Å; F232-W235 HydrophobicContact CD2-CE3 4.24Å; F232-W235 AromaticContact CE2-CE3 3.94Å; F232-W235 HydrophobicContact CE2-CE3 3.94Å; F232-W235 AromaticContact CE2-CZ3 3.88Å; F232-W235 HydrophobicContact CE2-CZ3 3.88Å; F232-W235 HydrophobicContact CZ-CZ3 4.37Å; F232-W235 WeakPolarHBondContact O-CB 3.08Å; F232-W235 PolarHBondContact O-N 2.75Å; L233-W235 VanDerWaalsContact C-N 3.35Å; L233-W235 PolarHBondContact O-N 3.17Å; W235-Y237 VanDerWaalsContact C-N 3.25Å; W235-Y237 PolarHBondContact O-N 3.06Å; W235-N238 PolarHBondContact O-N 3.36Å; W235-D239 HydrophobicContact CG-CB 4.48Å; W235-D239 PolarHBondContact O-N 2.88Å; W235-S240 PolarHBondContact O-N 3Å
236	L	92.8	Very high	90.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-39.5	-179.6	-176	64.8	0	0	0	111.5	V206 L214 F232 L233 S240 V242 V246 T248	V206-L236 HydrophobicContact CG1-CD1 3.81Å; V206-L236 HydrophobicContact CG2-CD1 3.91Å; L214-L236 HydrophobicContact CD2-CD2 3.97Å; F232-L236 HydrophobicContact CE1-CD2 4.25Å; F232-L236 WeakPolarHBondContact O-CB 3.47Å; F232-L236 PolarHBondContact O-N 3.34Å; L233-L236 HydrophobicContact CD2-CD2 4.24Å; L233-L236 WeakPolarHBondContact O-CB 3.37Å; L233-L236 PolarHBondContact O-N 3.1Å; L236-S240 WeakPolarHBondContact O-CB 3.03Å; L236-S240 PolarHBondContact O-OG 3.18Å; L236-V242 HydrophobicContact CD1-CG2 4.14Å; L236-V246 HydrophobicContact CD1-CG1 4.3Å; L236-V246 HydrophobicContact CD1-CG2 4.35Å; L236-V246 HydrophobicContact CD2-CG1 4.26Å; L236-V246 HydrophobicContact CD2-CG2 4.08Å; L236-V246 HydrophobicContact CG-CG1 3.94Å; L236-V246 HydrophobicContact CG-CG2 4.41Å; L236-T248 HydrophobicContact CD2-CG2 3.63Å
237	Y	91.6	Very high	91.2	Very high	3 Å²	3	30 Å²	30	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-88.9	-16.2	-178.1	-58.2	-39.8	0	0	0	115	Y23 I30 R33 L233 A234 W235 K243 V246 T248	Y23-Y237 VanDerWaalsContact CD2-CB 3.47Å; I30-Y237 HydrophobicContact CG2-CE2 4Å; R33-Y237 VanDerWaalsContact CD-CG 3.49Å; L233-Y237 HydrophobicContact CB-CD2 4.49Å; L233-Y237 HydrophobicContact CB-CE2 4.11Å; L233-Y237 HydrophobicContact CD2-CE2 4.31Å; L233-Y237 WeakPolarHBondContact O-CD2 3.49Å; L233-Y237 PolarHBondContact O-N 3.4Å; A234-Y237 PolarHBondContact O-N 2.99Å; W235-Y237 VanDerWaalsContact C-N 3.25Å; W235-Y237 PolarHBondContact O-N 3.06Å; Y237-K243 WeakPolarHBondContact O-CB 3.12Å; Y237-V246 HydrophobicContact CD1-CG1 3.98Å; Y237-V246 HydrophobicContact CE1-CG1 3.94Å; Y237-T248 HydrophobicContact CE1-CG2 4.4Å; Y237-T248 WeakPolarHBondContact OH-CG2 3.47Å; Y237-T248 PolarHBondContact OH-OG1 3Å
238	N	90.9	Very high	91.5	Very high	28 Å²	28	29.7 Å²	29.7	15%	0.15	16%	0.16	C	C	.	.	H	α-helix	trans	-100.9	-50.5	-180	-71.4	-35.3	0	0	0	112.9	K22 Y23 A234 W235 K243	K22-N238 WeakPolarHBondContact CA-OD1 3.49Å; Y23-N238 WeakPolarHBondContact CD2-OD1 3.2Å; Y23-N238 PolarHBondContact N-ND2 3.06Å; Y23-N238 PolarHBondContact N-OD1 3.19Å; Y23-N238 PolarHBondContact O-ND2 2.88Å; A234-N238 VanDerWaalsContact O-CB 3.28Å; A234-N238 WeakPolarHBondContact O-CB 3.48Å; A234-N238 VanDerWaalsContact O-CG 3.25Å; A234-N238 PolarHBondContact O-N 3.24Å; A234-N238 PolarHBondContact O-ND2 2.96Å; W235-N238 PolarHBondContact O-N 3.36Å; N238-K243 WeakPolarHBondContact O-CD 3.27Å; N238-K243 PolarHBondContact O-NZ 2.88Å
239	D	90.8	Very high	91.7	Very high	107 Å²	107	26 Å²	26	57%	0.572	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-16.9	-161.7	-60.5	-42.4	0	0	0	113.1	W235	W235-D239 HydrophobicContact CG-CB 4.48Å; W235-D239 PolarHBondContact O-N 2.88Å
240	S	90.9	Very high	91.8	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-68.7	153.9	-177.7	90.2	0	0	0	0	112.9	W235 L236 V242 K243	W235-S240 PolarHBondContact O-N 3Å; L236-S240 WeakPolarHBondContact O-CB 3.03Å; L236-S240 PolarHBondContact O-OG 3.18Å; S240-V242 PolarHBondContact O-N 2.79Å; S240-V242 VanDerWaalsContact O-N 3.12Å; S240-V242 WeakPolarHBondContact OG-CG2 3.28Å; S240-V242 PolarHBondContact OG-N 3.36Å; S240-K243 WeakPolarHBondContact O-CB 3.09Å; S240-K243 WeakPolarHBondContact O-CG 3.43Å; S240-K243 PolarHBondContact O-N 3.34Å; S240-K243 PolarHBondContact OG-N 3.04Å; S240-K243 VanDerWaalsContact OG-N 3.13Å
241	P	91.2	Very high	91.8	Very high	69 Å²	69	25.8 Å²	25.8	45%	0.448	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.8	175.9	27.7	-36.1	0	0	0	113.6	K210	K210-P241 HydrophobicContact CD-CB 4.36Å; K210-P241 HydrophobicContact CG-CB 4.35Å; K210-P241 HydrophobicContact CG-CG 4.01Å
242	V	91.3	Very high	91.8	Very high	7 Å²	7	25 Å²	25	4%	0.042	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	10.2	-175.7	-65.6	0	0	0	0	113	V206 K210 P211 L236 S240 E244 T245 V246	V206-V242 HydrophobicContact CG1-CG2 3.96Å; K210-V242 HydrophobicContact CB-CG1 3.63Å; K210-V242 HydrophobicContact CG-CG1 4.44Å; P211-V242 WeakPolarHBondContact O-CG1 3.2Å; L236-V242 HydrophobicContact CD1-CG2 4.14Å; S240-V242 PolarHBondContact O-N 2.79Å; S240-V242 VanDerWaalsContact O-N 3.12Å; S240-V242 WeakPolarHBondContact OG-CG2 3.28Å; S240-V242 PolarHBondContact OG-N 3.36Å; V242-E244 PolarHBondContact O-N 2.94Å; V242-T245 PolarHBondContact O-N 3.23Å; V242-T245 PolarHBondContact O-OG1 3.39Å; V242-V246 HydrophobicContact CB-CB 4.11Å; V242-V246 HydrophobicContact CG2-CB 3.82Å; V242-V246 HydrophobicContact CG2-CG1 4.18Å; V242-V246 HydrophobicContact CG2-CG2 4.2Å; V242-V246 WeakPolarHBondContact O-CB 3.42Å; V242-V246 VanDerWaalsContact O-CG1 3.29Å; V242-V246 WeakPolarHBondContact O-CG1 3.25Å; V242-V246 PolarHBondContact O-N 3.2Å
243	K	88.1	Confident	91.5	Very high	77 Å²	77	25 Å²	25	34%	0.335	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-30.6	-175.3	64.8	-176.3	-176	-176	0	115.8	R33 Y237 N238 S240	R33-K243 PolarHBondContact NH2-O 3.46Å; Y237-K243 WeakPolarHBondContact O-CB 3.12Å; N238-K243 WeakPolarHBondContact O-CD 3.27Å; N238-K243 PolarHBondContact O-NZ 2.88Å; S240-K243 WeakPolarHBondContact O-CB 3.09Å; S240-K243 WeakPolarHBondContact O-CG 3.43Å; S240-K243 PolarHBondContact O-N 3.34Å; S240-K243 PolarHBondContact OG-N 3.04Å; S240-K243 VanDerWaalsContact OG-N 3.13Å
244	E	86.6	Confident	91.1	Very high	108 Å²	108	28 Å²	28	51%	0.505	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.3	179.8	-55.8	-54.2	152.3	0	0	113.3	R20 V242	R20-E244 IonicContact CZ-OE1 3.78Å; R20-E244 IonicContact CZ-OE2 3.52Å; R20-E244 IonicContact NH1-OE1 3.49Å; R20-E244 PolarHBondContact NH1-OE1 3.29Å; R20-E244 IonicContact NH1-OE2 2.79Å; R20-E244 PolarHBondContact NH1-OE2 3.49Å; R20-E244 IonicContact NH2-OE2 3.47Å; R20-E244 PolarHBondContact NH2-OE2 2.78Å; R20-E244 VanDerWaalsContact NH2-OE2 3.12Å; V242-E244 PolarHBondContact O-N 2.94Å
245	T	90.8	Very high	90.6	Very high	43 Å²	43	33 Å²	33	26%	0.264	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-20.5	-168.7	57	0	0	0	0	113.4	W38 V242	W38-T245 PolarHBondContact NE1-O 3.02Å; V242-T245 PolarHBondContact O-N 3.23Å; V242-T245 PolarHBondContact O-OG1 3.39Å
246	V	93.9	Very high	90.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.			trans	-67.8	140.3	-173.2	68.7	0	0	0	0	112.5	R33 E212 L214 L236 Y237 V242	R33-V246 PolarHBondContact NH1-O 2.8Å; R33-V246 PolarHBondContact NH2-O 2.98Å; E212-V246 CarbonylContact O-C 3.6Å; E212-V246 VanDerWaalsContact O-CA 3.24Å; E212-V246 WeakPolarHBondContact O-CA 3.46Å; L214-V246 HydrophobicContact CB-CG2 4.4Å; L236-V246 HydrophobicContact CD1-CG1 4.3Å; L236-V246 HydrophobicContact CD1-CG2 4.35Å; L236-V246 HydrophobicContact CD2-CG1 4.26Å; L236-V246 HydrophobicContact CD2-CG2 4.08Å; L236-V246 HydrophobicContact CG-CG1 3.94Å; L236-V246 HydrophobicContact CG-CG2 4.41Å; Y237-V246 HydrophobicContact CD1-CG1 3.98Å; Y237-V246 HydrophobicContact CE1-CG1 3.94Å; V242-V246 HydrophobicContact CB-CB 4.11Å; V242-V246 HydrophobicContact CG2-CB 3.82Å; V242-V246 HydrophobicContact CG2-CG1 4.18Å; V242-V246 HydrophobicContact CG2-CG2 4.2Å; V242-V246 WeakPolarHBondContact O-CB 3.42Å; V242-V246 VanDerWaalsContact O-CG1 3.29Å; V242-V246 WeakPolarHBondContact O-CG1 3.25Å; V242-V246 PolarHBondContact O-N 3.2Å
247	V	94.1	Very high	89.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.7	169.3	-61.7	0	0	0	0	110.5	L35 P36 W38 F39 E212 V213 L214 Y263	L35-V247 HydrophobicContact CD2-CB 4.36Å; L35-V247 HydrophobicContact CD2-CG1 3.86Å; P36-V247 HydrophobicContact CG-CG1 3.81Å; W38-V247 HydrophobicContact CH2-CG2 4.26Å; W38-V247 HydrophobicContact CZ2-CG1 4.29Å; W38-V247 HydrophobicContact CZ2-CG2 4.07Å; F39-V247 HydrophobicContact CB-CG1 3.95Å; F39-V247 HydrophobicContact CD2-CG2 3.76Å; F39-V247 HydrophobicContact CE2-CG2 4.03Å; F39-V247 HydrophobicContact CG-CG1 4.12Å; F39-V247 HydrophobicContact CG-CG2 4.14Å; E212-V247 WeakPolarHBondContact O-CG2 3.25Å; E212-V247 PolarHBondContact O-N 2.83Å; V213-V247 HydrophobicContact CB-CG2 4.08Å; V213-V247 HydrophobicContact CG1-CG2 4.05Å; V213-V247 HydrophobicContact CG2-CG2 3.7Å; L214-V247 PolarHBondContact N-O 2.98Å; V247-Y263 HydrophobicContact CB-CD1 4.35Å; V247-Y263 HydrophobicContact CB-CE1 4.21Å; V247-Y263 HydrophobicContact CG2-CE1 4.02Å
248	T	93.5	Very high	89.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.8	175.8	69.8	0	0	0	0	110.5	L214 L233 L236 Y237 W252 G262 Y263	L214-T248 HydrophobicContact CB-CG2 4.33Å; L214-T248 WeakPolarHBondContact O-CA 3.4Å; L233-T248 HydrophobicContact CD2-CG2 3.72Å; L236-T248 HydrophobicContact CD2-CG2 3.63Å; Y237-T248 HydrophobicContact CE1-CG2 4.4Å; Y237-T248 WeakPolarHBondContact OH-CG2 3.47Å; Y237-T248 PolarHBondContact OH-OG1 3Å; T248-W252 HydrophobicContact CG2-CZ2 3.78Å; T248-G262 VanDerWaalsContact O-CA 3.27Å; T248-G262 WeakPolarHBondContact O-CA 3.37Å; T248-G262 PolarHBondContact O-N 3.21Å; T248-Y263 VanDerWaalsContact O-CD1 3.26Å; T248-Y263 WeakPolarHBondContact O-CD1 3.46Å; T248-Y263 WeakPolarHBondContact O-CE1 3.01Å; T248-Y263 PolarHBondContact O-N 2.95Å
249	N	93.8	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.			trans	-77.8	-167.8	173.3	69.6	-35.4	0	0	0	111.6	W215 S216 W252 Y263 T265	W215-N249 HydrophobicContact CD2-CB 4.47Å; W215-N249 VanDerWaalsContact CD2-ND2 3.29Å; W215-N249 VanDerWaalsContact CE3-ND2 3.31Å; W215-N249 HydrophobicContact CG-CB 4.42Å; S216-N249 PolarHBondContact N-OD1 2.83Å; S216-N249 PolarHBondContact O-ND2 3.3Å; S216-N249 PolarHBondContact OG-OD1 2.8Å; N249-W252 PolarHBondContact O-NE1 3.18Å; N249-Y263 CarbonylContact C-O 3.54Å; N249-Y263 WeakPolarHBondContact CA-O 3.24Å; N249-Y263 HydrophobicContact CB-CD2 4.43Å; N249-Y263 HydrophobicContact CB-CE1 4.24Å; N249-Y263 HydrophobicContact CB-CE2 3.73Å; N249-T265 HydrophobicContact CB-CG2 4.25Å
250	D	91.1	Very high	89.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-104.6	12.2	-173.8	64.7	-27.2	0	0	0	115.4	S256 I257 C258 H260 Y263 Y264 T265 C266	D250-S256 CarbonylContact O-C 3.54Å; D250-S256 VanDerWaalsContact O-C 3.26Å; D250-S256 PolarHBondContact O-OG 3.17Å; D250-I257 WeakPolarHBondContact O-CA 3.24Å; D250-I257 PolarHBondContact O-N 3.49Å; D250-C258 PolarHBondContact OD2-N 3.11Å; D250-H260 WeakPolarHBondContact CA-O 3.34Å; D250-H260 WeakPolarHBondContact CB-O 3.06Å; D250-Y263 PolarHBondContact N-O 3.32Å; D250-Y264 HydrophobicContact CB-CD1 4.02Å; D250-T265 WeakPolarHBondContact OD1-CB 3.48Å; D250-T265 PolarHBondContact OD1-N 2.96Å; D250-T265 PolarHBondContact OD1-OG1 2.9Å; D250-T265 PolarHBondContact OD2-N 3.25Å; D250-C266 PolarHBondContact OD2-N 2.89Å
251	R	92.1	Very high	89	Confident	21 Å²	21	35.7 Å²	35.7	8%	0.079	19%	0.185	C	C	.	.			trans	-107.1	62.5	-176.2	-54.5	-169	-175.5	-165.4	-0	112.2	W215 S216 D217 G218 I257 T265 D268	W215-R251 VanDerWaalsContact CH2-CD 3.5Å; W215-R251 HydrophobicContact CH2-CG 4.48Å; S216-R251 WeakPolarHBondContact O-CB 3.34Å; S216-R251 VanDerWaalsContact OG-C 3.31Å; S216-R251 PolarHBondContact OG-O 3.23Å; D217-R251 IonicContact OD1-NH1 3.53Å; G218-R251 WeakPolarHBondContact CA-O 3.24Å; G218-R251 PolarHBondContact N-O 3.14Å; R251-I257 HydrophobicContact CG-CD1 4.35Å; R251-I257 HydrophobicContact CG-CG1 4.19Å; R251-T265 PolarHBondContact NE-OG1 3.23Å; R251-T265 VanDerWaalsContact NE-OG1 3.11Å; R251-D268 IonicContact CZ-OD1 3.07Å; R251-D268 IonicContact NH1-OD1 3.3Å; R251-D268 PolarHBondContact NH1-OD1 2.66Å; R251-D268 IonicContact NH2-OD1 3.61Å; R251-D268 PolarHBondContact NH2-OD1 3.03Å
252	W	90.6	Very high	88.7	Confident	1 Å²	1	33 Å²	33	0%	0.004	17%	0.169	C	C	.	.	S	Bend	trans	-102	1.6	-178.1	-70.6	97.4	0	0	0	114.1	W27 L172 L214 S216 S229 F232 L233 T248 N249 S256	W27-W252 HydrophobicContact CH2-CB 3.91Å; W27-W252 HydrophobicContact CH2-CG 4.41Å; L172-W252 HydrophobicContact CD1-CE3 4.2Å; L214-W252 HydrophobicContact CD2-CH2 3.84Å; L214-W252 HydrophobicContact CD2-CZ2 4.43Å; L214-W252 HydrophobicContact CG-CH2 4.2Å; S216-W252 WeakPolarHBondContact OG-CZ2 3.44Å; S216-W252 PolarHBondContact OG-NE1 3.32Å; S229-W252 PolarHBondContact OG-O 3.11Å; F232-W252 HydrophobicContact CD1-CH2 4.07Å; F232-W252 AromaticContact CD1-CZ3 3.84Å; F232-W252 HydrophobicContact CD1-CZ3 3.84Å; F232-W252 AromaticContact CE1-CH2 3.86Å; F232-W252 HydrophobicContact CE1-CH2 3.86Å; F232-W252 HydrophobicContact CE1-CZ3 4.04Å; L233-W252 HydrophobicContact CD1-CD2 4.1Å; L233-W252 HydrophobicContact CD1-CG 4.12Å; L233-W252 HydrophobicContact CD2-CD2 4.26Å; L233-W252 HydrophobicContact CD2-CH2 4.06Å; L233-W252 HydrophobicContact CD2-CZ2 3.71Å; L233-W252 HydrophobicContact CD2-CZ3 4.47Å; L233-W252 HydrophobicContact CG-CD2 4.38Å; T248-W252 HydrophobicContact CG2-CZ2 3.78Å; N249-W252 PolarHBondContact O-NE1 3.18Å; W252-S256 PolarHBondContact N-OG 3.36Å
253	G	87.7	Confident	88.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	164.4	178	173.5	0	0	0	0	0	111.8	D255 S256	G253-D255 PolarHBondContact O-N 3.28Å; G253-S256 PolarHBondContact N-OG 2.96Å; G253-S256 VanDerWaalsContact N-OG 3.16Å; G253-S256 PolarHBondContact O-N 3.36Å; G253-S256 PolarHBondContact O-OG 2.8Å
254	L	83.3	Confident	88.9	Confident	65 Å²	65	30.8 Å²	30.8	34%	0.34	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-56.1	137.1	169	-171.3	69.2	0	0	0	108.6	A222 S256	A222-L254 WeakPolarHBondContact O-CB 3.39Å; A222-L254 PolarHBondContact O-N 2.91Å; L254-S256 VanDerWaalsContact C-N 3.26Å; L254-S256 PolarHBondContact O-N 2.84Å
255	D	83.4	Confident	89.1	Confident	110 Å²	110	25.7 Å²	25.7	59%	0.588	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	-0.5	-176.8	-78.7	-56.1	0	0	0	117.7	G253 K259	G253-D255 PolarHBondContact O-N 3.28Å; D255-K259 VanDerWaalsContact O-CD 3.29Å; D255-K259 WeakPolarHBondContact O-CD 3.3Å; D255-K259 WeakPolarHBondContact O-CE 3.47Å; D255-K259 PolarHBondContact O-NZ 3.17Å; D255-K259 VanDerWaalsContact O-NZ 3.11Å; D255-K259 IonicContact OD1-NZ 2.79Å; D255-K259 PolarHBondContact OD1-NZ 3.43Å
256	S	84.8	Confident	88.8	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.014	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-28.2	176.7	75	0	0	0	0	113.4	D250 W252 G253 L254 C258 K259 H260	D250-S256 CarbonylContact O-C 3.54Å; D250-S256 VanDerWaalsContact O-C 3.26Å; D250-S256 PolarHBondContact O-OG 3.17Å; W252-S256 PolarHBondContact N-OG 3.36Å; G253-S256 PolarHBondContact N-OG 2.96Å; G253-S256 VanDerWaalsContact N-OG 3.16Å; G253-S256 PolarHBondContact O-N 3.36Å; G253-S256 PolarHBondContact O-OG 2.8Å; L254-S256 VanDerWaalsContact C-N 3.26Å; L254-S256 PolarHBondContact O-N 2.84Å; S256-C258 PolarHBondContact O-N 2.85Å; S256-K259 PolarHBondContact O-N 2.98Å; S256-H260 PolarHBondContact O-N 3.31Å
257	I	87.6	Confident	88.4	Confident	36 Å²	36	27.2 Å²	27.2	19%	0.185	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	131.5	-174.3	-61.2	-174.1	0	0	0	110.7	D219 D250 R251 K259 C266	D219-I257 HydrophobicContact CB-CD1 3.86Å; D219-I257 WeakPolarHBondContact OD2-CD1 3.38Å; D250-I257 WeakPolarHBondContact O-CA 3.24Å; D250-I257 PolarHBondContact O-N 3.49Å; R251-I257 HydrophobicContact CG-CD1 4.35Å; R251-I257 HydrophobicContact CG-CG1 4.19Å; I257-K259 PolarHBondContact O-N 3.47Å; I257-K259 VanDerWaalsContact O-N 3.09Å; I257-C266 VanDerWaalsContact CG2-CA 3.5Å; I257-C266 WeakPolarHBondContact CG2-O 3.4Å
258	C	86	Confident	87.9	Confident	56 Å²	56	30.7 Å²	30.7	38%	0.378	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.6	-178.8	-136.6	0	0	0	0	114.8	D250 S256 C266	D250-C258 PolarHBondContact OD2-N 3.11Å; S256-C258 PolarHBondContact O-N 2.85Å; C258-C266 VanDerWaalsContact CA-SG 3.58Å; C258-C266 HydrophobicContact CB-CB 3.78Å; C258-C266 WeakPolarHBondContact CB-SG 3.45Å; C258-C266 WeakPolarHBondContact SG-CB 3.47Å; C258-C266 CovalentContact SG-SG 2.05Å; C258-C266 PolarHBondContact SG-SG 3.15Å
259	K	86.4	Confident	87.6	Confident	105 Å²	105	34.6 Å²	34.6	46%	0.457	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-41.8	-179.9	-61.7	-171.1	-153.6	145.3	0	113.3	D255 S256 I257 Y264	D255-K259 VanDerWaalsContact O-CD 3.29Å; D255-K259 WeakPolarHBondContact O-CD 3.3Å; D255-K259 WeakPolarHBondContact O-CE 3.47Å; D255-K259 PolarHBondContact O-NZ 3.17Å; D255-K259 VanDerWaalsContact O-NZ 3.11Å; D255-K259 IonicContact OD1-NZ 2.79Å; D255-K259 PolarHBondContact OD1-NZ 3.43Å; S256-K259 PolarHBondContact O-N 2.98Å; I257-K259 PolarHBondContact O-N 3.47Å; I257-K259 VanDerWaalsContact O-N 3.09Å; K259-Y264 PolarHBondContact O-OH 2.75Å
260	H	87.1	Confident	87.3	Confident	49 Å²	49	36.7 Å²	36.7	23%	0.227	19%	0.188	C	C	.	.	S	Bend	trans	-134.8	146.7	-171.5	-62.9	-55.8	0	0	0	111.1	W27 D31 D250 S256	W27-H260 AromaticContact CD1-NE2 3.99Å; W27-H260 HydrophobicContact CD2-CB 3.85Å; W27-H260 AromaticContact CD2-CG 3.64Å; W27-H260 AromaticContact CD2-ND1 3.9Å; W27-H260 HydrophobicContact CE3-CB 3.51Å; W27-H260 AromaticContact CE3-CG 3.8Å; W27-H260 AromaticContact CG-CE1 3.77Å; W27-H260 AromaticContact CG-CG 3.84Å; W27-H260 AromaticContact CG-ND1 3.69Å; W27-H260 AromaticContact CG-NE2 3.99Å; W27-H260 HydrophobicContact CH2-CB 4.16Å; W27-H260 HydrophobicContact CZ2-CB 4.44Å; W27-H260 HydrophobicContact CZ3-CB 3.69Å; D31-H260 IonicContact OD2-CE1 2.73Å; D31-H260 IonicContact OD2-CG 3.92Å; D31-H260 IonicContact OD2-ND1 3.32Å; D31-H260 PolarHBondContact OD2-ND1 3.04Å; D250-H260 WeakPolarHBondContact CA-O 3.34Å; D250-H260 WeakPolarHBondContact CB-O 3.06Å; S256-H260 PolarHBondContact O-N 3.31Å
261	G	85.8	Confident	87	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	123.9	163.9	178.7	0	0	0	0	0	113.5	D31 Y263 H278	D31-G261 PolarHBondContact OD1-N 2.82Å; G261-Y263 VanDerWaalsContact C-N 3.31Å; G261-Y263 PolarHBondContact O-N 3.35Å; G261-H278 PolarHBondContact O-CE1 2.95Å
262	G	84.7	Confident	86.6	Confident	12 Å²	12	41 Å²	41	12%	0.124	21%	0.211	C	C	.	.	S	Bend	trans	-64.8	-34.9	-175.9	0	0	0	0	0	113	L35 T248 H278	L35-G262 WeakPolarHBondContact CD1-O 3.48Å; L35-G262 VanDerWaalsContact CD2-O 3.24Å; L35-G262 WeakPolarHBondContact CD2-O 3.16Å; L35-G262 VanDerWaalsContact CG-O 3.23Å; L35-G262 WeakPolarHBondContact CG-O 3.28Å; T248-G262 VanDerWaalsContact O-CA 3.27Å; T248-G262 WeakPolarHBondContact O-CA 3.37Å; T248-G262 PolarHBondContact O-N 3.21Å; G262-H278 PolarHBondContact O-CE1 2.89Å
263	Y	91.6	Very high	86.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-147.5	156.7	171.5	64.5	-91	0	0	0	110.6	F39 V247 T248 N249 D250 G261 T265 K279 E281	F39-Y263 HydrophobicContact CD1-CD1 4.36Å; F39-Y263 AromaticContact CE1-CD1 3.57Å; F39-Y263 HydrophobicContact CE1-CD1 3.57Å; F39-Y263 HydrophobicContact CE1-CD2 4.25Å; F39-Y263 HydrophobicContact CE1-CE1 4.02Å; F39-Y263 AromaticContact CE1-CG 3.68Å; F39-Y263 HydrophobicContact CE1-CG 3.68Å; F39-Y263 HydrophobicContact CE2-CE1 4.24Å; F39-Y263 AromaticContact CZ-CD1 3.7Å; F39-Y263 HydrophobicContact CZ-CD1 3.7Å; F39-Y263 HydrophobicContact CZ-CD2 4.17Å; F39-Y263 AromaticContact CZ-CE1 3.64Å; F39-Y263 HydrophobicContact CZ-CE1 3.64Å; F39-Y263 HydrophobicContact CZ-CE2 4.12Å; F39-Y263 AromaticContact CZ-CG 3.95Å; F39-Y263 HydrophobicContact CZ-CG 3.95Å; F39-Y263 AromaticContact CZ-CZ 3.82Å; V247-Y263 HydrophobicContact CB-CD1 4.35Å; V247-Y263 HydrophobicContact CB-CE1 4.21Å; V247-Y263 HydrophobicContact CG2-CE1 4.02Å; T248-Y263 VanDerWaalsContact O-CD1 3.26Å; T248-Y263 WeakPolarHBondContact O-CD1 3.46Å; T248-Y263 WeakPolarHBondContact O-CE1 3.01Å; T248-Y263 PolarHBondContact O-N 2.95Å; N249-Y263 CarbonylContact C-O 3.54Å; N249-Y263 WeakPolarHBondContact CA-O 3.24Å; N249-Y263 HydrophobicContact CB-CD2 4.43Å; N249-Y263 HydrophobicContact CB-CE1 4.24Å; N249-Y263 HydrophobicContact CB-CE2 3.73Å; D250-Y263 PolarHBondContact N-O 3.32Å; G261-Y263 VanDerWaalsContact C-N 3.31Å; G261-Y263 PolarHBondContact O-N 3.35Å; Y263-T265 HydrophobicContact CD2-CG2 4.29Å; Y263-T265 HydrophobicContact CE2-CG2 3.87Å; Y263-K279 WeakPolarHBondContact CA-O 3.24Å; Y263-E281 HydrophobicContact CD2-CB 3.62Å; Y263-E281 HydrophobicContact CE2-CB 3.55Å; Y263-E281 HydrophobicContact CE2-CG 4.21Å; Y263-E281 WeakPolarHBondContact CE2-OE2 3.4Å; Y263-E281 PolarHBondContact OH-OE2 2.99Å
264	Y	93.1	Very high	86	Confident	38 Å²	38	48.4 Å²	48.4	15%	0.149	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-97	135.7	-174	-60.8	-14.6	0	0	0	112.6	D250 K259 H278 K279 W280 E281	D250-Y264 HydrophobicContact CB-CD1 4.02Å; K259-Y264 PolarHBondContact O-OH 2.75Å; Y264-H278 AromaticContact CD1-CE1 3.88Å; Y264-H278 AromaticContact CD1-ND1 3.68Å; Y264-H278 HydrophobicContact CD2-CB 3.91Å; Y264-H278 AromaticContact CD2-ND1 3.92Å; Y264-H278 AromaticContact CE1-CE1 3.56Å; Y264-H278 AromaticContact CE1-CG 3.99Å; Y264-H278 AromaticContact CE1-ND1 3.59Å; Y264-H278 AromaticContact CE1-NE2 4Å; Y264-H278 HydrophobicContact CE2-CB 3.58Å; Y264-H278 AromaticContact CE2-CG 3.63Å; Y264-H278 AromaticContact CE2-ND1 3.87Å; Y264-H278 AromaticContact CG-ND1 3.83Å; Y264-H278 AromaticContact CZ-CD2 3.83Å; Y264-H278 AromaticContact CZ-CE1 3.93Å; Y264-H278 AromaticContact CZ-CG 3.6Å; Y264-H278 AromaticContact CZ-ND1 3.7Å; Y264-K279 PolarHBondContact N-O 3.3Å; Y264-W280 CarbonylContact O-C 3.55Å; Y264-W280 WeakPolarHBondContact O-CA 3.34Å; Y264-W280 WeakPolarHBondContact O-CB 3.37Å; Y264-E281 PolarHBondContact O-N 2.88Å
265	T	88.8	Confident	86.3	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.			trans	-105.8	-28.4	167.4	64.8	0	0	0	0	110.7	W215 N249 D250 R251 Y263 S267 Y270 E281	W215-T265 HydrophobicContact CZ2-CG2 4.14Å; N249-T265 HydrophobicContact CB-CG2 4.25Å; D250-T265 WeakPolarHBondContact OD1-CB 3.48Å; D250-T265 PolarHBondContact OD1-N 2.96Å; D250-T265 PolarHBondContact OD1-OG1 2.9Å; D250-T265 PolarHBondContact OD2-N 3.25Å; R251-T265 PolarHBondContact NE-OG1 3.23Å; R251-T265 VanDerWaalsContact NE-OG1 3.11Å; Y263-T265 HydrophobicContact CD2-CG2 4.29Å; Y263-T265 HydrophobicContact CE2-CG2 3.87Å; T265-S267 PolarHBondContact O-N 3.22Å; T265-Y270 WeakPolarHBondContact O-CB 3.26Å; T265-Y270 WeakPolarHBondContact O-CD1 3.22Å; T265-Y270 VanDerWaalsContact O-CG 3.23Å; T265-E281 HydrophobicContact CG2-CB 4.37Å
266	C	84.5	Confident	86.4	Confident	21 Å²	21	45.8 Å²	45.8	14%	0.142	25%	0.246	C	C	.	.			trans	54.2	-47.2	177.8	-55.5	0	0	0	0	116.5	D250 I257 C258 Y270	D250-C266 PolarHBondContact OD2-N 2.89Å; I257-C266 VanDerWaalsContact CG2-CA 3.5Å; I257-C266 WeakPolarHBondContact CG2-O 3.4Å; C258-C266 VanDerWaalsContact CA-SG 3.58Å; C258-C266 HydrophobicContact CB-CB 3.78Å; C258-C266 WeakPolarHBondContact CB-SG 3.45Å; C258-C266 WeakPolarHBondContact SG-CB 3.47Å; C258-C266 CovalentContact SG-SG 2.05Å; C258-C266 PolarHBondContact SG-SG 3.15Å; C266-Y270 HydrophobicContact CB-CD1 4.02Å; C266-Y270 HydrophobicContact CB-CD2 3.67Å; C266-Y270 HydrophobicContact CB-CE1 3.9Å; C266-Y270 HydrophobicContact CB-CE2 3.53Å; C266-Y270 HydrophobicContact CB-CG 3.91Å
267	S	85.9	Confident	86.5	Confident	55 Å²	55	56.5 Å²	56.5	39%	0.385	29%	0.292	S	S	.	.	S	Bend	trans	-152.9	170.5	172.6	72.1	0	0	0	0	110.7	T265 Y270	T265-S267 PolarHBondContact O-N 3.22Å; S267-Y270 VanDerWaalsContact O-CB 3.31Å; S267-Y270 WeakPolarHBondContact O-CB 3.37Å; S267-Y270 PolarHBondContact O-N 3.31Å
268	D	84.6	Confident	86.5	Confident	73 Å²	73	57.4 Å²	57.4	39%	0.39	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	143.8	165.5	-67.4	-4.3	0	0	0	109.8	R251 Y270 W291	R251-D268 IonicContact CZ-OD1 3.07Å; R251-D268 IonicContact NH1-OD1 3.3Å; R251-D268 PolarHBondContact NH1-OD1 2.66Å; R251-D268 IonicContact NH2-OD1 3.61Å; R251-D268 PolarHBondContact NH2-OD1 3.03Å; D268-Y270 PolarHBondContact O-N 2.74Å; D268-Y270 VanDerWaalsContact O-N 3.16Å; D268-W291 HydrophobicContact CB-CZ2 4.04Å
269	R	86.9	Confident	86.8	Confident	82 Å²	82	55.8 Å²	55.8	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	31.3	-175.2	-52.9	-178.6	-175.1	-83.9	-0.2	113.6	Q271 N282 C283 M284 T285 D287 S288	R269-Q271 PolarHBondContact O-N 2.86Å; R269-N282 WeakPolarHBondContact CA-OD1 3.3Å; R269-C283 VanDerWaalsContact CA-O 3.31Å; R269-C283 WeakPolarHBondContact CA-O 3.48Å; R269-C283 PolarHBondContact N-O 2.64Å; R269-M284 HydrophobicContact CG-CB 4.21Å; R269-T285 PolarHBondContact NH1-O 3.49Å; R269-T285 PolarHBondContact NH2-OG1 3.36Å; R269-D287 PolarHBondContact NH2-O 3.07Å; R269-S288 VanDerWaalsContact NH2-C 3.27Å; R269-S288 VanDerWaalsContact NH2-CA 3.27Å; R269-S288 PolarHBondContact NH2-O 2.83Å
270	Y	86.9	Confident	87.2	Confident	44 Å²	44	51 Å²	51	17%	0.173	26%	0.261	C	S	.	.			trans	-59.5	124.3	-175.1	-178.2	-117.2	0	0	0	111.5	T265 C266 S267 D268 P272 L276 W280 N282	T265-Y270 WeakPolarHBondContact O-CB 3.26Å; T265-Y270 WeakPolarHBondContact O-CD1 3.22Å; T265-Y270 VanDerWaalsContact O-CG 3.23Å; C266-Y270 HydrophobicContact CB-CD1 4.02Å; C266-Y270 HydrophobicContact CB-CD2 3.67Å; C266-Y270 HydrophobicContact CB-CE1 3.9Å; C266-Y270 HydrophobicContact CB-CE2 3.53Å; C266-Y270 HydrophobicContact CB-CG 3.91Å; S267-Y270 VanDerWaalsContact O-CB 3.31Å; S267-Y270 WeakPolarHBondContact O-CB 3.37Å; S267-Y270 PolarHBondContact O-N 3.31Å; D268-Y270 PolarHBondContact O-N 2.74Å; D268-Y270 VanDerWaalsContact O-N 3.16Å; Y270-P272 HydrophobicContact CE1-CB 4.3Å; Y270-P272 HydrophobicContact CE1-CG 4.15Å; Y270-L276 HydrophobicContact CE1-CD1 3.95Å; Y270-W280 HydrophobicContact CD1-CD2 4.39Å; Y270-W280 AromaticContact CD1-CE3 3.72Å; Y270-W280 HydrophobicContact CD1-CE3 3.72Å; Y270-W280 HydrophobicContact CD1-CZ3 4.24Å; Y270-W280 HydrophobicContact CE1-CD2 4.4Å; Y270-W280 HydrophobicContact CE1-CE3 4.17Å; Y270-W280 WeakPolarHBondContact O-CZ3 3.39Å; Y270-N282 VanDerWaalsContact O-CG 3.27Å; Y270-N282 PolarHBondContact O-OD1 3.22Å
271	Q	85.6	Confident	87.6	Confident	88 Å²	88	48.6 Å²	48.6	41%	0.411	25%	0.25	S	S	.	.			trans	-139.7	99	177.9	-77	172.7	60.4	0	0	108.2	R269 G273 N282	R269-Q271 PolarHBondContact O-N 2.86Å; Q271-G273 PolarHBondContact O-N 3.35Å; Q271-N282 WeakPolarHBondContact CG-ND2 3.48Å
272	P	83.6	Confident	88	Confident	23 Å²	23	48.6 Å²	48.6	15%	0.149	25%	0.25	C	C	.	.			trans	-68.4	-24.1	-179.1	26.4	-32.5	0	0	0	112.4	Y270 H274 L276 W280	Y270-P272 HydrophobicContact CE1-CB 4.3Å; Y270-P272 HydrophobicContact CE1-CG 4.15Å; P272-H274 PolarHBondContact O-CE1 3.15Å; P272-H274 PolarHBondContact O-N 2.74Å; P272-H274 PolarHBondContact O-ND1 3.05Å; P272-L276 HydrophobicContact CB-CD1 3.94Å; P272-L276 HydrophobicContact CB-CD2 4.27Å; P272-L276 HydrophobicContact CB-CG 4.05Å; P272-L276 HydrophobicContact CG-CD1 3.8Å; P272-L276 HydrophobicContact CG-CG 4.02Å; P272-W280 HydrophobicContact CG-CD2 4.11Å; P272-W280 HydrophobicContact CG-CE3 4.45Å; P272-W280 HydrophobicContact CG-CH2 3.99Å; P272-W280 HydrophobicContact CG-CZ2 3.61Å; P272-W280 HydrophobicContact CG-CZ3 4.37Å
273	G	81.8	Confident	88.3	Confident	54 Å²	54	48 Å²	48	56%	0.557	24%	0.244	S	C	*	.	S	Bend	trans	69	6.7	-178.4	0	0	0	0	0	114.6	Q271	Q271-G273 PolarHBondContact O-N 3.35Å
274	H	84.5	Confident	88.4	Confident	102 Å²	102	48.2 Å²	48.2	47%	0.472	25%	0.245	S	C	.	.	S	Bend	trans	-147.8	163.1	176	62.7	-80.5	0	0	0	109.8	P272 L276	P272-H274 PolarHBondContact O-CE1 3.15Å; P272-H274 PolarHBondContact O-N 2.74Å; P272-H274 PolarHBondContact O-ND1 3.05Å; H274-L276 WeakPolarHBondContact NE2-CD2 3.47Å; H274-L276 PolarHBondContact O-N 2.87Å
275	L	87.8	Confident	88.4	Confident	78 Å²	78	46.4 Å²	46.4	41%	0.408	24%	0.238	S	C	.	.			trans	-68.9	123.6	178.1	-178.3	59.3	0	0	0	111.4	A361 Q365	L275-A361 HydrophobicContact CD1-CB 3.45Å; L275-A361 VanDerWaalsContact CD1-CB 3.45Å; L275-A361 HydrophobicContact CD2-CB 4.07Å; L275-A361 HydrophobicContact CG-CB 4.34Å; L275-Q365 HydrophobicContact CB-CG 4.3Å
276	L	86.3	Confident	88.6	Confident	42 Å²	42	46.4 Å²	46.4	22%	0.22	24%	0.238	C	C	.	.			trans	-93.6	149.3	172.8	-64.9	180	0	0	0	111.3	Y270 P272 H274 H278 W280	Y270-L276 HydrophobicContact CE1-CD1 3.95Å; P272-L276 HydrophobicContact CB-CD1 3.94Å; P272-L276 HydrophobicContact CB-CD2 4.27Å; P272-L276 HydrophobicContact CB-CG 4.05Å; P272-L276 HydrophobicContact CG-CD1 3.8Å; P272-L276 HydrophobicContact CG-CG 4.02Å; H274-L276 WeakPolarHBondContact NE2-CD2 3.47Å; H274-L276 PolarHBondContact O-N 2.87Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-W280 HydrophobicContact CD1-CB 4.29Å; L276-W280 HydrophobicContact CD1-CG 3.91Å
277	K	86.1	Confident	89	Confident	228 Å²	228	45.6 Å²	45.6	99%	0.991	23%	0.232	S	C	*	.	S	Bend	trans	-69.7	-32.9	175	-68.9	-176.2	178.8	179.7	0	112.6
278	H	88.6	Confident	89.2	Confident	55 Å²	55	45.5 Å²	45.5	26%	0.255	23%	0.231	S	C	.	.	S	Bend	trans	-98.6	145.6	178.8	-159.4	-83.5	0	0	0	109.9	G261 G262 Y264 L276	G261-H278 PolarHBondContact O-CE1 2.95Å; G262-H278 PolarHBondContact O-CE1 2.89Å; Y264-H278 AromaticContact CD1-CE1 3.88Å; Y264-H278 AromaticContact CD1-ND1 3.68Å; Y264-H278 HydrophobicContact CD2-CB 3.91Å; Y264-H278 AromaticContact CD2-ND1 3.92Å; Y264-H278 AromaticContact CE1-CE1 3.56Å; Y264-H278 AromaticContact CE1-CG 3.99Å; Y264-H278 AromaticContact CE1-ND1 3.59Å; Y264-H278 AromaticContact CE1-NE2 4Å; Y264-H278 HydrophobicContact CE2-CB 3.58Å; Y264-H278 AromaticContact CE2-CG 3.63Å; Y264-H278 AromaticContact CE2-ND1 3.87Å; Y264-H278 AromaticContact CG-ND1 3.83Å; Y264-H278 AromaticContact CZ-CD2 3.83Å; Y264-H278 AromaticContact CZ-CE1 3.93Å; Y264-H278 AromaticContact CZ-CG 3.6Å; Y264-H278 AromaticContact CZ-ND1 3.7Å; L276-H278 VanDerWaalsContact C-N 3.33Å
279	K	92.2	Very high	89.4	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.096	24%	0.24	C	C	.	.			trans	-64.6	143	175.7	-173.2	67.1	-178.3	-178.6	0	109.7	L35 F39 D40 Y263 Y264 G319 N321	L35-K279 HydrophobicContact CD1-CB 3.31Å; L35-K279 HydrophobicContact CD1-CG 3.66Å; F39-K279 HydrophobicContact CD1-CG 4.41Å; F39-K279 HydrophobicContact CE1-CG 4.28Å; D40-K279 WeakPolarHBondContact OD1-CE 3.14Å; D40-K279 IonicContact OD1-NZ 3.2Å; D40-K279 PolarHBondContact OD1-NZ 3.37Å; Y263-K279 WeakPolarHBondContact CA-O 3.24Å; Y264-K279 PolarHBondContact N-O 3.3Å; K279-G319 WeakPolarHBondContact CD-O 3.45Å; K279-G319 WeakPolarHBondContact CE-O 3.43Å; K279-G319 PolarHBondContact NZ-O 3.36Å; K279-N321 WeakPolarHBondContact CE-OD1 3.31Å; K279-N321 PolarHBondContact NZ-OD1 2.98Å
280	W	94.3	Very high	89.5	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.011	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-141	162.8	-179.1	65.2	-82.6	0	0	0	111.4	Y264 Y270 P272 L276 N282 T315 C318 G320 N321	Y264-W280 CarbonylContact O-C 3.55Å; Y264-W280 WeakPolarHBondContact O-CA 3.34Å; Y264-W280 WeakPolarHBondContact O-CB 3.37Å; Y270-W280 HydrophobicContact CD1-CD2 4.39Å; Y270-W280 AromaticContact CD1-CE3 3.72Å; Y270-W280 HydrophobicContact CD1-CE3 3.72Å; Y270-W280 HydrophobicContact CD1-CZ3 4.24Å; Y270-W280 HydrophobicContact CE1-CD2 4.4Å; Y270-W280 HydrophobicContact CE1-CE3 4.17Å; Y270-W280 WeakPolarHBondContact O-CZ3 3.39Å; P272-W280 HydrophobicContact CG-CD2 4.11Å; P272-W280 HydrophobicContact CG-CE3 4.45Å; P272-W280 HydrophobicContact CG-CH2 3.99Å; P272-W280 HydrophobicContact CG-CZ2 3.61Å; P272-W280 HydrophobicContact CG-CZ3 4.37Å; L276-W280 HydrophobicContact CD1-CB 4.29Å; L276-W280 HydrophobicContact CD1-CG 3.91Å; W280-N282 HydrophobicContact CZ3-CB 3.77Å; W280-T315 HydrophobicContact CH2-CG2 3.67Å; W280-T315 HydrophobicContact CZ2-CG2 4.28Å; W280-T315 HydrophobicContact CZ3-CG2 4.02Å; W280-C318 HydrophobicContact CZ2-CB 3.73Å; W280-C318 PolarHBondContact NE1-O 2.91Å; W280-G320 VanDerWaalsContact CE2-CA 3.43Å; W280-G320 CarbonylContact O-C 3.5Å; W280-G320 VanDerWaalsContact O-CA 3.23Å; W280-G320 WeakPolarHBondContact O-CA 3.44Å; W280-N321 PolarHBondContact O-N 3.17Å
281	E	95.3	Very high	89.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.5	-178.5	-178.6	176.2	-111.2	0	0	110.4	Y116 W215 Y263 Y264 T265 C283 N321 L323	Y116-E281 WeakPolarHBondContact CE2-OE1 3.39Å; Y116-E281 VanDerWaalsContact CZ-OE1 3.3Å; Y116-E281 PolarHBondContact OH-OE1 3.25Å; W215-E281 PolarHBondContact NE1-OE2 3.48Å; Y263-E281 HydrophobicContact CD2-CB 3.62Å; Y263-E281 HydrophobicContact CE2-CB 3.55Å; Y263-E281 HydrophobicContact CE2-CG 4.21Å; Y263-E281 WeakPolarHBondContact CE2-OE2 3.4Å; Y263-E281 PolarHBondContact OH-OE2 2.99Å; Y264-E281 PolarHBondContact O-N 2.88Å; T265-E281 HydrophobicContact CG2-CB 4.37Å; E281-C283 PolarHBondContact O-N 3.34Å; E281-N321 CarbonylContact C-O 3.6Å; E281-N321 VanDerWaalsContact CA-O 3.28Å; E281-N321 WeakPolarHBondContact CA-O 3.39Å; E281-N321 HydrophobicContact CG-CB 4.31Å; E281-L323 HydrophobicContact CG-CB 3.75Å; E281-L323 WeakPolarHBondContact OE2-CD2 3.34Å
282	N	93.9	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	101.8	171.4	-172.7	-5.7	0	0	0	109.3	R269 Y270 Q271 W280 M284 T311 T315 N321 L322 L323	R269-N282 WeakPolarHBondContact CA-OD1 3.3Å; Y270-N282 VanDerWaalsContact O-CG 3.27Å; Y270-N282 PolarHBondContact O-OD1 3.22Å; Q271-N282 WeakPolarHBondContact CG-ND2 3.48Å; W280-N282 HydrophobicContact CZ3-CB 3.77Å; N282-M284 PolarHBondContact O-N 2.86Å; N282-T311 WeakPolarHBondContact ND2-CG2 3.05Å; N282-T315 HydrophobicContact CB-CG2 3.83Å; N282-T315 PolarHBondContact ND2-OG1 2.73Å; N282-N321 PolarHBondContact N-O 3.32Å; N282-L322 HydrophobicContact CB-CD1 3.83Å; N282-L323 PolarHBondContact O-N 3.17Å
283	C	92.5	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.8	172.5	-61.4	0	0	0	0	108.9	R269 E281 W291	R269-C283 VanDerWaalsContact CA-O 3.31Å; R269-C283 WeakPolarHBondContact CA-O 3.48Å; R269-C283 PolarHBondContact N-O 2.64Å; E281-C283 PolarHBondContact O-N 3.34Å; C283-W291 HydrophobicContact CB-CH2 3.95Å
284	M	93	Very high	90.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164.7	-179.5	72.3	165.9	-74.4	0	0	112.5	R269 N282 I303 L308 T311 L322 L323 M324 N325	R269-M284 HydrophobicContact CG-CB 4.21Å; N282-M284 PolarHBondContact O-N 2.86Å; M284-I303 HydrophobicContact CE-CD1 3.71Å; M284-L308 HydrophobicContact CE-CD2 3.42Å; M284-L308 VanDerWaalsContact CE-CD2 3.42Å; M284-L308 HydrophobicContact SD-CD2 4.45Å; M284-T311 HydrophobicContact SD-CG2 3.58Å; M284-T311 VanDerWaalsContact SD-CG2 3.58Å; M284-L322 HydrophobicContact CG-CD1 3.72Å; M284-L322 HydrophobicContact SD-CD1 3.67Å; M284-L322 HydrophobicContact SD-CD2 4.43Å; M284-L323 PolarHBondContact N-O 3.03Å; M284-M324 CarbonylContact O-C 3.42Å; M284-M324 WeakPolarHBondContact O-CA 3.48Å; M284-N325 WeakPolarHBondContact O-CB 3.44Å; M284-N325 PolarHBondContact O-N 2.83Å
285	T	92.7	Very high	91	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.1	177.5	60	0	0	0	0	111.1	R269 D287 W291 I303 N325	R269-T285 PolarHBondContact NH1-O 3.49Å; R269-T285 PolarHBondContact NH2-OG1 3.36Å; T285-D287 WeakPolarHBondContact CB-O 3.4Å; T285-D287 PolarHBondContact OG1-O 2.79Å; T285-W291 HydrophobicContact CG2-CB 4.15Å; T285-W291 HydrophobicContact CG2-CD2 3.17Å; T285-W291 HydrophobicContact CG2-CE3 3.16Å; T285-W291 HydrophobicContact CG2-CG 3.66Å; T285-W291 HydrophobicContact CG2-CH2 4.03Å; T285-W291 HydrophobicContact CG2-CZ2 4.07Å; T285-W291 HydrophobicContact CG2-CZ3 3.6Å; T285-I303 WeakPolarHBondContact O-CD1 2.92Å; T285-N325 HydrophobicContact CG2-CB 3.76Å
286	I	93.6	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-68.1	-40.6	170.4	-60.4	175.7	0	0	0	110.4	S288 Y302 I303 L308 M324 N325 V326 F338 R341	I286-S288 PolarHBondContact O-N 3.4Å; I286-Y302 HydrophobicContact CG2-CD1 4.28Å; I286-Y302 WeakPolarHBondContact O-CA 3.4Å; I286-I303 WeakPolarHBondContact O-CG1 3.31Å; I286-I303 PolarHBondContact O-N 3.19Å; I286-L308 HydrophobicContact CG1-CD1 4.37Å; I286-M324 HydrophobicContact CD1-CE 3.99Å; I286-M324 HydrophobicContact CD1-CG 4.22Å; I286-M324 HydrophobicContact CD1-SD 4.02Å; I286-M324 HydrophobicContact CG1-CE 4.36Å; I286-M324 HydrophobicContact CG1-CG 3.73Å; I286-M324 HydrophobicContact CG1-SD 3.72Å; I286-N325 PolarHBondContact N-O 3.01Å; I286-V326 HydrophobicContact CD1-CG1 3.94Å; I286-F338 HydrophobicContact CB-CD1 3.89Å; I286-F338 HydrophobicContact CB-CE1 3.93Å; I286-F338 HydrophobicContact CD1-CD1 3.93Å; I286-F338 HydrophobicContact CG1-CD1 4.48Å; I286-F338 HydrophobicContact CG2-CD1 3.91Å; I286-F338 HydrophobicContact CG2-CE1 4.11Å; I286-R341 HydrophobicContact CD1-CB 4.17Å; I286-R341 HydrophobicContact CG2-CG 4.24Å
287	D	92.4	Very high	91.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-77	114.7	170.1	-178.7	-16.4	0	0	0	109.4	R269 T285 K289 R294 Y302	R269-D287 PolarHBondContact NH2-O 3.07Å; T285-D287 WeakPolarHBondContact CB-O 3.4Å; T285-D287 PolarHBondContact OG1-O 2.79Å; D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 PolarHBondContact OD1-N 3.06Å; D287-R294 VanDerWaalsContact CG-NH2 3.32Å; D287-R294 IonicContact OD1-CZ 3.75Å; D287-R294 IonicContact OD1-NE 3.7Å; D287-R294 IonicContact OD1-NH2 2.96Å; D287-R294 PolarHBondContact OD1-NH2 3.45Å; D287-R294 IonicContact OD2-CZ 2.8Å; D287-R294 VanDerWaalsContact OD2-CZ 3.3Å; D287-R294 IonicContact OD2-NE 2.77Å; D287-R294 PolarHBondContact OD2-NE 2.76Å; D287-R294 IonicContact OD2-NH2 3.33Å; D287-R294 PolarHBondContact OD2-NH2 2.76Å; D287-R294 VanDerWaalsContact OD2-NH2 3.07Å; D287-Y302 HydrophobicContact CB-CD1 4.37Å; D287-Y302 HydrophobicContact CB-CE1 4.33Å
288	S	89.4	Confident	91.5	Very high	53 Å²	53	33.3 Å²	33.3	37%	0.371	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.6	-177.3	58.8	0	0	0	0	114.5	R269 I286 D301	R269-S288 VanDerWaalsContact NH2-C 3.27Å; R269-S288 VanDerWaalsContact NH2-CA 3.27Å; R269-S288 PolarHBondContact NH2-O 2.83Å; I286-S288 PolarHBondContact O-N 3.4Å; S288-D301 VanDerWaalsContact CB-O 3.25Å; S288-D301 WeakPolarHBondContact CB-O 3.43Å; S288-D301 PolarHBondContact N-O 3.17Å; S288-D301 PolarHBondContact OG-O 3.02Å
289	K	88.9	Confident	91.6	Very high	130 Å²	130	36.2 Å²	36.2	57%	0.565	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-20.4	-171.7	-62.1	-173.6	-176.9	154.6	0	115.7	D287 D301	D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 PolarHBondContact OD1-N 3.06Å; K289-D301 WeakPolarHBondContact CD-OD2 3.47Å; K289-D301 WeakPolarHBondContact CE-OD1 3.39Å; K289-D301 WeakPolarHBondContact CE-OD2 3.36Å; K289-D301 IonicContact NZ-OD1 2.8Å; K289-D301 PolarHBondContact NZ-OD1 3.05Å; K289-D301 IonicContact NZ-OD2 2.82Å; K289-D301 PolarHBondContact NZ-OD2 3.11Å
290	S	90.4	Very high	91.6	Very high	4 Å²	4	40 Å²	40	3%	0.028	21%	0.208	C	C	.	.			trans	-149.9	155.7	-176.1	179.4	0	0	0	0	112.9	S60 E61 G292	S60-S290 VanDerWaalsContact CA-OG 3.22Å; S60-S290 WeakPolarHBondContact CA-OG 3.37Å; E61-S290 PolarHBondContact OE2-OG 3.47Å; S290-G292 PolarHBondContact OG-N 3.16Å; S290-G292 PolarHBondContact OG-O 3.45Å
291	W	90.8	Very high	91.6	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.117	21%	0.21	C	C	.	.	S	Bend	trans	-83.6	-37.1	167.6	-57.4	86.9	0	0	0	111.7	F47 H49 E61 D268 C283 T285 N325	F47-W291 HydrophobicContact CD1-CZ3 4.03Å; F47-W291 HydrophobicContact CE1-CZ3 4.41Å; H49-W291 HydrophobicContact CB-CB 4.04Å; H49-W291 WeakPolarHBondContact CB-O 3.42Å; H49-W291 AromaticContact CE1-CE3 3.54Å; H49-W291 AromaticContact ND1-CE3 3.82Å; E61-W291 HydrophobicContact CG-CB 4.16Å; E61-W291 WeakPolarHBondContact OE2-CB 3.21Å; E61-W291 PolarHBondContact OE2-N 2.79Å; D268-W291 HydrophobicContact CB-CZ2 4.04Å; C283-W291 HydrophobicContact CB-CH2 3.95Å; T285-W291 HydrophobicContact CG2-CB 4.15Å; T285-W291 HydrophobicContact CG2-CD2 3.17Å; T285-W291 HydrophobicContact CG2-CE3 3.16Å; T285-W291 HydrophobicContact CG2-CG 3.66Å; T285-W291 HydrophobicContact CG2-CH2 4.03Å; T285-W291 HydrophobicContact CG2-CZ2 4.07Å; T285-W291 HydrophobicContact CG2-CZ3 3.6Å; W291-N325 WeakPolarHBondContact CA-ND2 3.35Å; W291-N325 HydrophobicContact CE3-CB 3.58Å; W291-N325 HydrophobicContact CZ3-CB 3.76Å; W291-N325 PolarHBondContact O-ND2 3.3Å
292	G	89.8	Confident	91.5	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-76.4	168.3	175.6	0	0	0	0	0	114.6	E61 S290	E61-G292 PolarHBondContact OE2-N 3.4Å; E61-G292 VanDerWaalsContact OE2-N 3.17Å; S290-G292 PolarHBondContact OG-N 3.16Å; S290-G292 PolarHBondContact OG-O 3.45Å
293	Y	92.1	Very high	91.5	Very high	43 Å²	43	42.6 Å²	42.6	17%	0.169	22%	0.22	C	C	.	.			trans	-73.1	129.2	176.8	179.9	-111.3	0	0	0	112.2	S57 R295 G327 P328 T329 A335 F338	S57-Y293 CarbonylContact C-O 3.51Å; S57-Y293 VanDerWaalsContact CA-O 3.27Å; S57-Y293 WeakPolarHBondContact CA-O 3.3Å; Y293-R295 HydrophobicContact CE1-CB 4.2Å; Y293-G327 WeakPolarHBondContact CB-O 3.42Å; Y293-P328 WeakPolarHBondContact CB-O 3.16Å; Y293-T329 HydrophobicContact CD1-CG2 4.06Å; Y293-T329 HydrophobicContact CD2-CG2 4.32Å; Y293-T329 HydrophobicContact CE1-CG2 3.81Å; Y293-T329 HydrophobicContact CE2-CG2 4.09Å; Y293-T329 HydrophobicContact CG-CG2 4.32Å; Y293-A335 HydrophobicContact CE2-CB 3.99Å; Y293-F338 HydrophobicContact CD2-CE2 4.11Å
294	R	92.6	Very high	91.6	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.057	23%	0.233	C	C	.	.			trans	-115.7	116.7	174.2	-63.3	-172	-53.3	124.2	-8.2	111.3	S57 G59 D287 N296 A297 D301	S57-R294 WeakPolarHBondContact O-CA 3.31Å; G59-R294 WeakPolarHBondContact O-CD 3.37Å; D287-R294 VanDerWaalsContact CG-NH2 3.32Å; D287-R294 IonicContact OD1-CZ 3.75Å; D287-R294 IonicContact OD1-NE 3.7Å; D287-R294 IonicContact OD1-NH2 2.96Å; D287-R294 PolarHBondContact OD1-NH2 3.45Å; D287-R294 IonicContact OD2-CZ 2.8Å; D287-R294 VanDerWaalsContact OD2-CZ 3.3Å; D287-R294 IonicContact OD2-NE 2.77Å; D287-R294 PolarHBondContact OD2-NE 2.76Å; D287-R294 IonicContact OD2-NH2 3.33Å; D287-R294 PolarHBondContact OD2-NH2 2.76Å; D287-R294 VanDerWaalsContact OD2-NH2 3.07Å; R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 PolarHBondContact O-N 3.26Å; R294-A297 HydrophobicContact CB-CB 3.96Å; R294-A297 WeakPolarHBondContact O-CB 3.35Å; R294-A297 PolarHBondContact O-N 2.96Å; R294-D301 IonicContact CZ-OD2 3.27Å; R294-D301 IonicContact NH1-OD2 2.83Å; R294-D301 PolarHBondContact NH1-OD2 2.6Å; R294-D301 IonicContact NH2-OD2 2.74Å; R294-D301 PolarHBondContact NH2-OD2 2.89Å
295	R	88.1	Confident	91.7	Very high	160 Å²	160	44 Å²	44	60%	0.604	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.6	179.9	-167.5	177.5	-59.2	167.3	8.3	113	S57 Y293	S57-R295 PolarHBondContact O-N 2.88Å; S57-R295 PolarHBondContact OG-NH2 2.91Å; Y293-R295 HydrophobicContact CE1-CB 4.2Å
296	N	88.8	Confident	91.7	Very high	93 Å²	93	49.3 Å²	49.3	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	10	-179.2	70.2	-26.4	0	0	0	113.7	R294 P298	R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 PolarHBondContact O-N 3.26Å; N296-P298 VanDerWaalsContact O-CD 3.27Å; N296-P298 WeakPolarHBondContact O-CD 3.43Å
297	A	89.9	Confident	91.8	Very high	18 Å²	18	55.8 Å²	55.8	15%	0.149	29%	0.286	C	S	.	.			trans	-69.2	118.7	-179.4	0	0	0	0	0	111.1	R294 Y302	R294-A297 HydrophobicContact CB-CB 3.96Å; R294-A297 WeakPolarHBondContact O-CB 3.35Å; R294-A297 PolarHBondContact O-N 2.96Å; A297-Y302 HydrophobicContact CB-CE2 3.69Å; A297-Y302 WeakPolarHBondContact CB-OH 3.31Å
298	P	92.1	Very high	91.9	Very high	62 Å²	62	55.7 Å²	55.7	40%	0.403	29%	0.286	S	S	.	.			trans	-70.1	158	170.7	31.2	-36.7	0	0	0	111.1	N296 S300 D301 Y302	N296-P298 VanDerWaalsContact O-CD 3.27Å; N296-P298 WeakPolarHBondContact O-CD 3.43Å; P298-S300 PolarHBondContact O-N 2.74Å; P298-S300 VanDerWaalsContact O-N 3.13Å; P298-D301 WeakPolarHBondContact CD-OD2 3.35Å; P298-D301 HydrophobicContact CG-CB 4.29Å; P298-D301 WeakPolarHBondContact O-CB 3.42Å; P298-D301 PolarHBondContact O-N 3.47Å; P298-Y302 WeakPolarHBondContact O-CD2 3.45Å
299	L	90.8	Very high	92.2	Very high	117 Å²	117	53.2 Å²	53.2	61%	0.613	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-53.3	-36.1	178	-179	59.5	0	0	0	112.9	D301 Y302 I337	L299-D301 PolarHBondContact O-N 2.8Å; L299-Y302 PolarHBondContact O-N 2.67Å; L299-I337 HydrophobicContact CD1-CD1 3.38Å
300	S	92.6	Very high	92.5	Very high	102 Å²	102	47.8 Å²	47.8	71%	0.713	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-62.6	-21.4	178.9	58.4	0	0	0	0	114.4	P298 Y302	P298-S300 PolarHBondContact O-N 2.74Å; P298-S300 VanDerWaalsContact O-N 3.13Å; S300-Y302 VanDerWaalsContact C-N 3.33Å
301	D	93.1	Very high	92.7	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.07	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-80.3	-18.9	177.4	-73	0.3	0	0	0	111.7	S288 K289 R294 P298 L299	S288-D301 VanDerWaalsContact CB-O 3.25Å; S288-D301 WeakPolarHBondContact CB-O 3.43Å; S288-D301 PolarHBondContact N-O 3.17Å; S288-D301 PolarHBondContact OG-O 3.02Å; K289-D301 WeakPolarHBondContact CD-OD2 3.47Å; K289-D301 WeakPolarHBondContact CE-OD1 3.39Å; K289-D301 WeakPolarHBondContact CE-OD2 3.36Å; K289-D301 IonicContact NZ-OD1 2.8Å; K289-D301 PolarHBondContact NZ-OD1 3.05Å; K289-D301 IonicContact NZ-OD2 2.82Å; K289-D301 PolarHBondContact NZ-OD2 3.11Å; R294-D301 IonicContact CZ-OD2 3.27Å; R294-D301 IonicContact NH1-OD2 2.83Å; R294-D301 PolarHBondContact NH1-OD2 2.6Å; R294-D301 IonicContact NH2-OD2 2.74Å; R294-D301 PolarHBondContact NH2-OD2 2.89Å; P298-D301 WeakPolarHBondContact CD-OD2 3.35Å; P298-D301 HydrophobicContact CG-CB 4.29Å; P298-D301 WeakPolarHBondContact O-CB 3.42Å; P298-D301 PolarHBondContact O-N 3.47Å; L299-D301 PolarHBondContact O-N 2.8Å
302	Y	93.9	Very high	92.9	Very high	24 Å²	24	46.6 Å²	46.6	9%	0.094	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-87.2	129	177.4	-61.3	-88	0	0	0	110.4	I286 D287 A297 P298 L299 S300 G304 I337 F338	I286-Y302 HydrophobicContact CG2-CD1 4.28Å; I286-Y302 WeakPolarHBondContact O-CA 3.4Å; D287-Y302 HydrophobicContact CB-CD1 4.37Å; D287-Y302 HydrophobicContact CB-CE1 4.33Å; A297-Y302 HydrophobicContact CB-CE2 3.69Å; A297-Y302 WeakPolarHBondContact CB-OH 3.31Å; P298-Y302 WeakPolarHBondContact O-CD2 3.45Å; L299-Y302 PolarHBondContact O-N 2.67Å; S300-Y302 VanDerWaalsContact C-N 3.33Å; Y302-G304 PolarHBondContact O-N 3.02Å; Y302-I337 HydrophobicContact CD1-CD1 4.05Å; Y302-I337 HydrophobicContact CD1-CG1 4.37Å; Y302-I337 HydrophobicContact CD1-CG2 4.2Å; Y302-I337 HydrophobicContact CD2-CD1 3.46Å; Y302-I337 VanDerWaalsContact CD2-CD1 3.46Å; Y302-I337 HydrophobicContact CE1-CD1 4.48Å; Y302-I337 HydrophobicContact CE1-CG2 3.83Å; Y302-I337 HydrophobicContact CE2-CD1 3.95Å; Y302-I337 HydrophobicContact CG-CD1 3.49Å; Y302-I337 VanDerWaalsContact CG-CD1 3.49Å; Y302-I337 HydrophobicContact CG-CG1 4.23Å; Y302-F338 AromaticContact CD1-CE1 3.9Å; Y302-F338 HydrophobicContact CD1-CE1 3.9Å; Y302-F338 HydrophobicContact CD1-CZ 4.35Å; Y302-F338 HydrophobicContact CE1-CD1 4.41Å; Y302-F338 AromaticContact CE1-CE1 3.64Å; Y302-F338 HydrophobicContact CE1-CE1 3.64Å; Y302-F338 HydrophobicContact CE1-CE2 4.36Å; Y302-F338 AromaticContact CE1-CZ 3.61Å; Y302-F338 HydrophobicContact CE1-CZ 3.61Å
303	I	94.3	Very high	93.2	Very high	20 Å²	20	46.5 Å²	46.5	10%	0.103	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-67.1	129.7	-179.9	-59.5	176.1	0	0	0	109.3	M284 T285 I286 K307 L308 R341	M284-I303 HydrophobicContact CE-CD1 3.71Å; T285-I303 WeakPolarHBondContact O-CD1 2.92Å; I286-I303 WeakPolarHBondContact O-CG1 3.31Å; I286-I303 PolarHBondContact O-N 3.19Å; I303-K307 HydrophobicContact CG2-CB 3.71Å; I303-K307 HydrophobicContact CG2-CD 3.97Å; I303-K307 HydrophobicContact CG2-CG 3.81Å; I303-L308 HydrophobicContact CB-CD2 3.94Å; I303-L308 HydrophobicContact CB-CG 4.31Å; I303-L308 HydrophobicContact CG2-CD2 3.69Å; I303-L308 HydrophobicContact CG2-CG 3.89Å; I303-R341 PolarHBondContact O-NE 3.4Å
304	G	94.6	Very high	93.2	Very high	27 Å²	27	47 Å²	47	28%	0.278	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-65.9	153.2	175.9	0	0	0	0	0	112.2	Y302 E306 K307 L308	Y302-G304 PolarHBondContact O-N 3.02Å; G304-E306 VanDerWaalsContact C-N 3.27Å; G304-E306 PolarHBondContact O-N 3.42Å; G304-K307 PolarHBondContact O-N 3.14Å; G304-K307 VanDerWaalsContact O-N 3.15Å; G304-L308 WeakPolarHBondContact O-CG 3.38Å; G304-L308 PolarHBondContact O-N 3.3Å
305	I	94.6	Very high	93.3	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-35.5	-176.1	-178.9	65.4	0	0	0	112.4	K307 L308 V309 Q344 M345 W445	I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 PolarHBondContact O-N 2.68Å; I305-L308 HydrophobicContact CD1-CB 4.47Å; I305-L308 PolarHBondContact O-N 3.24Å; I305-L308 VanDerWaalsContact O-N 3.13Å; I305-V309 HydrophobicContact CD1-CG2 3.91Å; I305-V309 HydrophobicContact CG1-CG2 4.06Å; I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.95Å; I305-Q344 HydrophobicContact CD1-CB 3.78Å; I305-Q344 HydrophobicContact CG1-CB 3.85Å; I305-M345 HydrophobicContact CD1-CB 4.24Å; I305-M345 HydrophobicContact CD1-CE 4.28Å; I305-W445 HydrophobicContact CG1-CD2 3.81Å; I305-W445 HydrophobicContact CG1-CE3 3.97Å; I305-W445 HydrophobicContact CG1-CG 4.32Å; I305-W445 HydrophobicContact CG1-CH2 4.37Å; I305-W445 HydrophobicContact CG1-CZ2 4.22Å; I305-W445 HydrophobicContact CG1-CZ3 4.25Å; I305-W445 HydrophobicContact CG2-CD2 3.99Å; I305-W445 VanDerWaalsContact CG2-CE2 3.48Å; I305-W445 HydrophobicContact CG2-CG 4.09Å; I305-W445 HydrophobicContact CG2-CZ2 3.99Å
306	E	93.8	Very high	93.6	Very high	113 Å²	113	38.8 Å²	38.8	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-54.7	-46.7	176.4	-61.3	77.4	-175.2	0	0	110.6	G304 A310 W445	G304-E306 VanDerWaalsContact C-N 3.27Å; G304-E306 PolarHBondContact O-N 3.42Å; E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 2.95Å; E306-A310 PolarHBondContact O-N 2.86Å; E306-W445 HydrophobicContact CG-CG 4.48Å
307	K	94.3	Very high	93.8	Very high	136 Å²	136	34.3 Å²	34.3	59%	0.591	19%	0.192	S	C	*	.	H	α-helix	trans	-73.5	-35.7	179.4	-174.1	167.3	-178.8	179.5	0	111.9	I303 G304 I305 A310 T311	I303-K307 HydrophobicContact CG2-CB 3.71Å; I303-K307 HydrophobicContact CG2-CD 3.97Å; I303-K307 HydrophobicContact CG2-CG 3.81Å; G304-K307 PolarHBondContact O-N 3.14Å; G304-K307 VanDerWaalsContact O-N 3.15Å; I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 PolarHBondContact O-N 2.68Å; K307-A310 PolarHBondContact O-N 3.41Å; K307-T311 WeakPolarHBondContact O-CB 3.22Å; K307-T311 PolarHBondContact O-N 3.16Å; K307-T311 PolarHBondContact O-OG1 2.7Å
308	L	95.3	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-45.7	175.1	-65.8	176.9	0	0	0	111.5	M284 I286 I303 G304 I305 T311 L312 M324 R341 M345	M284-L308 HydrophobicContact CE-CD2 3.42Å; M284-L308 VanDerWaalsContact CE-CD2 3.42Å; M284-L308 HydrophobicContact SD-CD2 4.45Å; I286-L308 HydrophobicContact CG1-CD1 4.37Å; I303-L308 HydrophobicContact CB-CD2 3.94Å; I303-L308 HydrophobicContact CB-CG 4.31Å; I303-L308 HydrophobicContact CG2-CD2 3.69Å; I303-L308 HydrophobicContact CG2-CG 3.89Å; G304-L308 WeakPolarHBondContact O-CG 3.38Å; G304-L308 PolarHBondContact O-N 3.3Å; I305-L308 HydrophobicContact CD1-CB 4.47Å; I305-L308 PolarHBondContact O-N 3.24Å; I305-L308 VanDerWaalsContact O-N 3.13Å; L308-T311 PolarHBondContact O-N 2.95Å; L308-L312 PolarHBondContact O-N 2.68Å; L308-M324 HydrophobicContact CD1-SD 4.09Å; L308-M324 HydrophobicContact CD2-SD 4Å; L308-M324 HydrophobicContact CG-SD 4.5Å; L308-R341 HydrophobicContact CD1-CB 4.04Å; L308-R341 HydrophobicContact CD1-CG 4.31Å; L308-M345 HydrophobicContact CB-CE 3.7Å
309	V	95.8	Very high	93.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-45.6	176.6	172.2	0	0	0	0	109.9	I305 T311 L312 V313 M345 W348 A446	I305-V309 HydrophobicContact CD1-CG2 3.91Å; I305-V309 HydrophobicContact CG1-CG2 4.06Å; I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.95Å; V309-T311 PolarHBondContact O-N 3.39Å; V309-L312 WeakPolarHBondContact O-CB 3.17Å; V309-L312 PolarHBondContact O-N 3.29Å; V309-V313 HydrophobicContact CG1-CG2 4.36Å; V309-V313 WeakPolarHBondContact O-CG2 3.39Å; V309-V313 PolarHBondContact O-N 3.27Å; V309-M345 HydrophobicContact CG2-CE 4Å; V309-M345 HydrophobicContact CG2-SD 3.92Å; V309-W348 HydrophobicContact CG1-CD2 3.79Å; V309-W348 HydrophobicContact CG1-CE3 4.07Å; V309-W348 HydrophobicContact CG1-CG 4.35Å; V309-W348 HydrophobicContact CG1-CH2 4.17Å; V309-W348 HydrophobicContact CG1-CZ2 3.85Å; V309-W348 HydrophobicContact CG1-CZ3 4.26Å; V309-W348 HydrophobicContact CG2-CD2 4.33Å; V309-W348 HydrophobicContact CG2-CE3 4.5Å; V309-W348 HydrophobicContact CG2-CG 4.35Å; V309-A446 HydrophobicContact CG1-CB 3.69Å
310	A	94.6	Very high	93.9	Very high	17 Å²	17	25.7 Å²	25.7	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-55.1	-49.7	173.7	0	0	0	0	0	111.7	E306 K307 L312 V313 E314 L389	E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 2.95Å; E306-A310 PolarHBondContact O-N 2.86Å; K307-A310 PolarHBondContact O-N 3.41Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.42Å; A310-V313 PolarHBondContact O-N 3.11Å; A310-E314 WeakPolarHBondContact O-CB 3.25Å; A310-E314 WeakPolarHBondContact O-CG 3.39Å; A310-E314 PolarHBondContact O-N 2.05Å; A310-L389 HydrophobicContact CB-CD1 3.77Å; A310-L389 HydrophobicContact CB-CD2 4.21Å
311	T	95.1	Very high	94.1	Very high	10 Å²	10	20.8 Å²	20.8	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-37.5	178.6	-59.3	0	0	0	0	112.5	N282 M284 K307 L308 V309 T315 L322	N282-T311 WeakPolarHBondContact ND2-CG2 3.05Å; M284-T311 HydrophobicContact SD-CG2 3.58Å; M284-T311 VanDerWaalsContact SD-CG2 3.58Å; K307-T311 WeakPolarHBondContact O-CB 3.22Å; K307-T311 PolarHBondContact O-N 3.16Å; K307-T311 PolarHBondContact O-OG1 2.7Å; L308-T311 PolarHBondContact O-N 2.95Å; V309-T311 PolarHBondContact O-N 3.39Å; T311-T315 WeakPolarHBondContact O-CB 3.12Å; T311-T315 PolarHBondContact O-N 3.27Å; T311-T315 PolarHBondContact O-OG1 3.15Å; T311-L322 HydrophobicContact CG2-CD1 4.06Å
312	L	95.6	Very high	94.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-49.8	174.1	178.4	61.4	0	0	0	111.4	F44 L308 V309 A310 E314 T315 V316 L322 M345 W348 L349	F44-L312 HydrophobicContact CB-CD1 4.18Å; F44-L312 HydrophobicContact CD2-CD1 4.31Å; L308-L312 PolarHBondContact O-N 2.68Å; V309-L312 WeakPolarHBondContact O-CB 3.17Å; V309-L312 PolarHBondContact O-N 3.29Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.42Å; L312-E314 PolarHBondContact O-N 3.01Å; L312-T315 PolarHBondContact O-N 3.15Å; L312-V316 HydrophobicContact CD1-CG2 3.91Å; L312-V316 HydrophobicContact CG-CG2 4.49Å; L312-V316 WeakPolarHBondContact O-CB 3.49Å; L312-V316 VanDerWaalsContact O-CG2 3.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.29Å; L312-V316 PolarHBondContact O-N 3.05Å; L312-L322 HydrophobicContact CB-CD2 3.76Å; L312-L322 HydrophobicContact CD1-CB 3.65Å; L312-L322 HydrophobicContact CD1-CD2 3.88Å; L312-L322 HydrophobicContact CD1-CG 4.41Å; L312-L322 HydrophobicContact CG-CD2 4.37Å; L312-M345 HydrophobicContact CD2-CE 4.5Å; L312-M345 HydrophobicContact CD2-SD 3.71Å; L312-W348 HydrophobicContact CD2-CZ3 4.06Å; L312-L349 HydrophobicContact CD2-CD1 4.15Å; L312-L349 HydrophobicContact CD2-CD2 3.98Å; L312-L349 HydrophobicContact CD2-CG 4.38Å
313	V	94.9	Very high	94.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-46.1	-180	170.9	0	0	0	0	111.2	V309 A310 T315 V316 S317 W348 I356 W374 L387 L389	V309-V313 HydrophobicContact CG1-CG2 4.36Å; V309-V313 WeakPolarHBondContact O-CG2 3.39Å; V309-V313 PolarHBondContact O-N 3.27Å; A310-V313 PolarHBondContact O-N 3.11Å; V313-T315 PolarHBondContact O-N 3.09Å; V313-V316 PolarHBondContact O-N 2.93Å; V313-S317 VanDerWaalsContact O-CB 3.25Å; V313-S317 WeakPolarHBondContact O-CB 3.44Å; V313-S317 PolarHBondContact O-N 3.39Å; V313-S317 PolarHBondContact O-OG 3.39Å; V313-W348 HydrophobicContact CG2-CH2 3.64Å; V313-W348 HydrophobicContact CG2-CZ2 4.07Å; V313-I356 HydrophobicContact CG2-CD1 4.48Å; V313-W374 HydrophobicContact CG1-CB 3.6Å; V313-W374 HydrophobicContact CG1-CG 3.98Å; V313-L387 HydrophobicContact CG1-CB 3.62Å; V313-L387 HydrophobicContact CG1-CD1 4.29Å; V313-L387 HydrophobicContact CG1-CD2 4.08Å; V313-L387 HydrophobicContact CG1-CG 4.21Å; V313-L387 HydrophobicContact CG2-CB 4.47Å; V313-L387 HydrophobicContact CG2-CD2 3.79Å; V313-L389 HydrophobicContact CB-CD2 3.98Å; V313-L389 HydrophobicContact CG1-CD2 4.05Å; V313-L389 HydrophobicContact CG2-CD2 4.02Å
314	E	93.5	Very high	94.4	Very high	53 Å²	53	18.1 Å²	18.1	25%	0.248	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-46.6	177.2	-71.8	-176.5	177.5	0	0	111.8	A310 L312 C318 W374	A310-E314 WeakPolarHBondContact O-CB 3.25Å; A310-E314 WeakPolarHBondContact O-CG 3.39Å; A310-E314 PolarHBondContact O-N 2.05Å; L312-E314 PolarHBondContact O-N 3.01Å; E314-C318 WeakPolarHBondContact O-CB 3.24Å; E314-C318 PolarHBondContact O-N 3.27Å; E314-C318 VanDerWaalsContact O-N 3.1Å; E314-C318 PolarHBondContact O-SG 3.24Å; E314-C318 VanDerWaalsContact O-SG 3.34Å; E314-W374 HydrophobicContact CB-CH2 4.47Å; E314-W374 HydrophobicContact CB-CZ2 4.29Å; E314-W374 HydrophobicContact CG-CD2 4.03Å; E314-W374 VanDerWaalsContact CG-CE2 3.42Å; E314-W374 HydrophobicContact CG-CH2 4.13Å; E314-W374 HydrophobicContact CG-CZ2 3.49Å; E314-W374 VanDerWaalsContact CG-CZ2 3.49Å
315	T	93.9	Very high	94.5	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-62.8	-48.9	-179.2	-62.9	0	0	0	0	110.8	W280 N282 T311 L312 V313 C318 G319 G320 N321 L322	W280-T315 HydrophobicContact CH2-CG2 3.67Å; W280-T315 HydrophobicContact CZ2-CG2 4.28Å; W280-T315 HydrophobicContact CZ3-CG2 4.02Å; N282-T315 HydrophobicContact CB-CG2 3.83Å; N282-T315 PolarHBondContact ND2-OG1 2.73Å; T311-T315 WeakPolarHBondContact O-CB 3.12Å; T311-T315 PolarHBondContact O-N 3.27Å; T311-T315 PolarHBondContact O-OG1 3.15Å; L312-T315 PolarHBondContact O-N 3.15Å; V313-T315 PolarHBondContact O-N 3.09Å; T315-C318 CarbonylContact O-C 3.49Å; T315-C318 PolarHBondContact O-N 3.16Å; T315-G319 PolarHBondContact O-N 3.13Å; T315-G320 WeakPolarHBondContact O-CA 3.04Å; T315-G320 PolarHBondContact O-N 3.46Å; T315-N321 VanDerWaalsContact CG2-C 3.5Å; T315-N321 VanDerWaalsContact CG2-O 3.32Å; T315-N321 WeakPolarHBondContact CG2-O 3.45Å; T315-L322 HydrophobicContact CG2-CB 4.37Å
316	V	94.8	Very high	94.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-68.7	-38.3	-177.7	175	0	0	0	0	111.6	K43 L312 V313 C318 G319 I356 T376	K43-V316 HydrophobicContact CB-CG2 3.84Å; K43-V316 HydrophobicContact CD-CG1 4.03Å; K43-V316 HydrophobicContact CD-CG2 4.31Å; K43-V316 HydrophobicContact CG-CG1 4.14Å; K43-V316 HydrophobicContact CG-CG2 4.17Å; L312-V316 HydrophobicContact CD1-CG2 3.91Å; L312-V316 HydrophobicContact CG-CG2 4.49Å; L312-V316 WeakPolarHBondContact O-CB 3.49Å; L312-V316 VanDerWaalsContact O-CG2 3.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.29Å; L312-V316 PolarHBondContact O-N 3.05Å; V313-V316 PolarHBondContact O-N 2.93Å; V316-C318 VanDerWaalsContact C-N 3.25Å; V316-C318 PolarHBondContact O-N 2.76Å; V316-G319 WeakPolarHBondContact O-CA 3.23Å; V316-G319 PolarHBondContact O-N 3.47Å; V316-I356 HydrophobicContact CB-CD1 4.47Å; V316-I356 HydrophobicContact CG1-CD1 4.4Å; V316-I356 HydrophobicContact CG2-CG2 4.19Å; V316-T376 HydrophobicContact CG1-CG2 3.93Å
317	S	92.5	Very high	94.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-32.1	176.7	-56.3	0	0	0	0	111.9	V313 G319 A361 Q365 W374 Y375	V313-S317 VanDerWaalsContact O-CB 3.25Å; V313-S317 WeakPolarHBondContact O-CB 3.44Å; V313-S317 PolarHBondContact O-N 3.39Å; V313-S317 PolarHBondContact O-OG 3.39Å; S317-G319 VanDerWaalsContact C-N 3.25Å; S317-G319 PolarHBondContact O-N 2.87Å; S317-A361 VanDerWaalsContact O-CB 3.27Å; S317-A361 WeakPolarHBondContact O-CB 3.47Å; S317-Q365 VanDerWaalsContact O-CG 3.24Å; S317-Q365 WeakPolarHBondContact O-CG 3.47Å; S317-W374 WeakPolarHBondContact OG-CB 3.22Å; S317-Y375 WeakPolarHBondContact CB-O 3.22Å; S317-Y375 PolarHBondContact OG-O 3.23Å
318	C	91.8	Very high	94.4	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.02	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	10.4	171.9	-64.2	0	0	0	0	113.9	W280 E314 T315 V316	W280-C318 HydrophobicContact CZ2-CB 3.73Å; W280-C318 PolarHBondContact NE1-O 2.91Å; E314-C318 WeakPolarHBondContact O-CB 3.24Å; E314-C318 PolarHBondContact O-N 3.27Å; E314-C318 VanDerWaalsContact O-N 3.1Å; E314-C318 PolarHBondContact O-SG 3.24Å; E314-C318 VanDerWaalsContact O-SG 3.34Å; T315-C318 CarbonylContact O-C 3.49Å; T315-C318 PolarHBondContact O-N 3.16Å; V316-C318 VanDerWaalsContact C-N 3.25Å; V316-C318 PolarHBondContact O-N 2.76Å
319	G	90.1	Very high	94.4	Very high	12 Å²	12	5.5 Å²	5.5	12%	0.124	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	5.1	175.3	0	0	0	0	0	115.4	K279 T315 V316 S317	K279-G319 WeakPolarHBondContact CD-O 3.45Å; K279-G319 WeakPolarHBondContact CE-O 3.43Å; K279-G319 PolarHBondContact NZ-O 3.36Å; T315-G319 PolarHBondContact O-N 3.13Å; V316-G319 WeakPolarHBondContact O-CA 3.23Å; V316-G319 PolarHBondContact O-N 3.47Å; S317-G319 VanDerWaalsContact C-N 3.25Å; S317-G319 PolarHBondContact O-N 2.87Å
320	G	93.3	Very high	94.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.			trans	-86.2	173.6	-179.3	0	0	0	0	0	114.3	W280 T315	W280-G320 VanDerWaalsContact CE2-CA 3.43Å; W280-G320 CarbonylContact O-C 3.5Å; W280-G320 VanDerWaalsContact O-CA 3.23Å; W280-G320 WeakPolarHBondContact O-CA 3.44Å; T315-G320 WeakPolarHBondContact O-CA 3.04Å; T315-G320 PolarHBondContact O-N 3.46Å
321	N	96	Very high	94	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.6	162.4	-73.5	4.2	0	0	0	110	F39 K43 K279 W280 E281 N282 T315	F39-N321 PolarHBondContact O-ND2 3.31Å; K43-N321 WeakPolarHBondContact CA-OD1 3.29Å; K43-N321 CarbonylContact O-C 3.57Å; K43-N321 VanDerWaalsContact O-CA 3.3Å; K43-N321 WeakPolarHBondContact O-CA 3.46Å; K279-N321 WeakPolarHBondContact CE-OD1 3.31Å; K279-N321 PolarHBondContact NZ-OD1 2.98Å; W280-N321 PolarHBondContact O-N 3.17Å; E281-N321 CarbonylContact C-O 3.6Å; E281-N321 VanDerWaalsContact CA-O 3.28Å; E281-N321 WeakPolarHBondContact CA-O 3.39Å; E281-N321 HydrophobicContact CG-CB 4.31Å; N282-N321 PolarHBondContact N-O 3.32Å; T315-N321 VanDerWaalsContact CG2-C 3.5Å; T315-N321 VanDerWaalsContact CG2-O 3.32Å; T315-N321 WeakPolarHBondContact CG2-O 3.45Å
322	L	96.4	Very high	93.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.2	173.1	-174.3	68.7	0	0	0	110	K43 F44 G45 N282 M284 T311 L312 T315	K43-L322 PolarHBondContact O-N 3.15Å; F44-L322 WeakPolarHBondContact CA-O 3.39Å; F44-L322 HydrophobicContact CD2-CB 4.27Å; F44-L322 HydrophobicContact CD2-CD2 4.21Å; F44-L322 HydrophobicContact CD2-CG 4.42Å; F44-L322 HydrophobicContact CE2-CD2 4.28Å; G45-L322 PolarHBondContact N-O 3.3Å; N282-L322 HydrophobicContact CB-CD1 3.83Å; M284-L322 HydrophobicContact CG-CD1 3.72Å; M284-L322 HydrophobicContact SD-CD1 3.67Å; M284-L322 HydrophobicContact SD-CD2 4.43Å; T311-L322 HydrophobicContact CG2-CD1 4.06Å; L312-L322 HydrophobicContact CB-CD2 3.76Å; L312-L322 HydrophobicContact CD1-CB 3.65Å; L312-L322 HydrophobicContact CD1-CD2 3.88Å; L312-L322 HydrophobicContact CD1-CG 4.41Å; L312-L322 HydrophobicContact CG-CD2 4.37Å; T315-L322 HydrophobicContact CG2-CB 4.37Å
323	L	96.4	Very high	93.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	102.8	171.6	-179.5	58.4	0	0	0	109	I46 F47 Y116 V118 E281 N282 M284	I46-L323 VanDerWaalsContact C-CD1 3.46Å; F47-L323 HydrophobicContact CB-CD1 3.94Å; F47-L323 HydrophobicContact CB-CD2 4.31Å; F47-L323 HydrophobicContact CB-CG 3.87Å; F47-L323 HydrophobicContact CD1-CD2 3.43Å; F47-L323 VanDerWaalsContact CD1-CD2 3.43Å; F47-L323 HydrophobicContact CD1-CG 3.78Å; F47-L323 HydrophobicContact CE1-CD2 3.92Å; F47-L323 HydrophobicContact CG-CD1 4.35Å; F47-L323 HydrophobicContact CG-CD2 3.92Å; F47-L323 HydrophobicContact CG-CG 4.03Å; Y116-L323 HydrophobicContact CE2-CD1 3.94Å; V118-L323 HydrophobicContact CB-CD1 4.38Å; V118-L323 HydrophobicContact CB-CD2 4.49Å; V118-L323 HydrophobicContact CG2-CD1 3.93Å; V118-L323 HydrophobicContact CG2-CD2 4.08Å; E281-L323 HydrophobicContact CG-CB 3.75Å; E281-L323 WeakPolarHBondContact OE2-CD2 3.34Å; N282-L323 PolarHBondContact O-N 3.17Å; M284-L323 PolarHBondContact N-O 3.03Å
324	M	96	Very high	93.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.8	-172.5	-175.7	170.3	72.5	0	0	111.8	F44 G45 I46 F47 M284 I286 L308 L342	F44-M324 HydrophobicContact CE2-CB 3.82Å; F44-M324 HydrophobicContact CE2-CE 3.96Å; F44-M324 HydrophobicContact CE2-SD 4.47Å; F44-M324 HydrophobicContact CZ-CB 4.48Å; F44-M324 HydrophobicContact CZ-CE 3.63Å; G45-M324 PolarHBondContact O-N 2.76Å; I46-M324 CarbonylContact C-O 3.49Å; I46-M324 VanDerWaalsContact CA-O 3.26Å; I46-M324 WeakPolarHBondContact CA-O 3.46Å; F47-M324 PolarHBondContact N-O 3.42Å; M284-M324 CarbonylContact O-C 3.42Å; M284-M324 WeakPolarHBondContact O-CA 3.48Å; I286-M324 HydrophobicContact CD1-CE 3.99Å; I286-M324 HydrophobicContact CD1-CG 4.22Å; I286-M324 HydrophobicContact CD1-SD 4.02Å; I286-M324 HydrophobicContact CG1-CE 4.36Å; I286-M324 HydrophobicContact CG1-CG 3.73Å; I286-M324 HydrophobicContact CG1-SD 3.72Å; L308-M324 HydrophobicContact CD1-SD 4.09Å; L308-M324 HydrophobicContact CD2-SD 4Å; L308-M324 HydrophobicContact CG-SD 4.5Å; M324-L342 HydrophobicContact CE-CD2 3.35Å; M324-L342 HydrophobicContact CE-CG 4.33Å
325	N	95.9	Very high	93.8	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.016	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.8	-175.1	178.5	77.7	0	0	0	114.2	F47 H49 M284 T285 I286 W291	F47-N325 HydrophobicContact CB-CB 3.74Å; F47-N325 CarbonylContact O-C 3.49Å; F47-N325 WeakPolarHBondContact O-CA 3.49Å; F47-N325 PolarHBondContact O-OD1 2.53Å; H49-N325 PolarHBondContact N-OD1 2.9Å; H49-N325 PolarHBondContact ND1-OD1 3.34Å; M284-N325 WeakPolarHBondContact O-CB 3.44Å; M284-N325 PolarHBondContact O-N 2.83Å; T285-N325 HydrophobicContact CG2-CB 3.76Å; I286-N325 PolarHBondContact N-O 3.01Å; W291-N325 WeakPolarHBondContact CA-ND2 3.35Å; W291-N325 HydrophobicContact CE3-CB 3.58Å; W291-N325 HydrophobicContact CZ3-CB 3.76Å; W291-N325 PolarHBondContact O-ND2 3.3Å
326	V	94.6	Very high	93.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.7	164.3	-62.9	0	0	0	0	111.2	I46 F47 I48 H49 F109 I286 P328 F338 L342	I46-V326 HydrophobicContact CG2-CG2 4.03Å; F47-V326 PolarHBondContact O-N 2.86Å; I48-V326 WeakPolarHBondContact CA-O 3.45Å; I48-V326 HydrophobicContact CG1-CG2 4.07Å; I48-V326 HydrophobicContact CG2-CG2 4.5Å; H49-V326 PolarHBondContact N-O 3.22Å; H49-V326 VanDerWaalsContact N-O 3.15Å; F109-V326 HydrophobicContact CE1-CG2 4.21Å; I286-V326 HydrophobicContact CD1-CG1 3.94Å; V326-P328 WeakPolarHBondContact O-CD 2.9Å; V326-F338 HydrophobicContact CB-CG 4.48Å; V326-F338 HydrophobicContact CG1-CB 4.08Å; V326-F338 HydrophobicContact CG1-CD1 4.39Å; V326-F338 HydrophobicContact CG1-CG 4.34Å; V326-L342 HydrophobicContact CG1-CD1 3.83Å; V326-L342 HydrophobicContact CG1-CG 4.33Å
327	G	92.3	Very high	93.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.096	C	C	.	.			trans	-111.6	100.9	173.5	0	0	0	0	0	110.6	Y293 F338	Y293-G327 WeakPolarHBondContact CB-O 3.42Å; G327-F338 VanDerWaalsContact O-CE2 3.31Å; G327-F338 WeakPolarHBondContact O-CE2 3.45Å
328	P	94.7	Very high	93.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.			trans	-67.7	154.9	174.2	-17.3	30.6	0	0	0	112.3	I48 W50 S54 W105 Y293 V326 T333	I48-P328 HydrophobicContact CG2-CG 3.62Å; W50-P328 HydrophobicContact CB-CG 4.14Å; W50-P328 HydrophobicContact CG-CB 4.11Å; W50-P328 HydrophobicContact CG-CG 4.13Å; S54-P328 PolarHBondContact OG-O 3.48Å; W105-P328 HydrophobicContact CH2-CB 3.93Å; W105-P328 HydrophobicContact CH2-CG 3.53Å; W105-P328 HydrophobicContact CZ2-CB 3.62Å; W105-P328 HydrophobicContact CZ2-CG 3.64Å; W105-P328 HydrophobicContact CZ3-CG 4.34Å; Y293-P328 WeakPolarHBondContact CB-O 3.16Å; V326-P328 WeakPolarHBondContact O-CD 2.9Å; P328-T333 WeakPolarHBondContact CA-O 3.33Å
329	T	93.8	Very high	94	Very high	13 Å²	13	19.1 Å²	19.1	8%	0.08	11%	0.107	C	C	.	.			trans	-69.5	163.8	175.1	70.6	0	0	0	0	111	W50 Y293 D331 G332 T333	W50-T329 PolarHBondContact NE1-O 3.18Å; Y293-T329 HydrophobicContact CD1-CG2 4.06Å; Y293-T329 HydrophobicContact CD2-CG2 4.32Å; Y293-T329 HydrophobicContact CE1-CG2 3.81Å; Y293-T329 HydrophobicContact CE2-CG2 4.09Å; Y293-T329 HydrophobicContact CG-CG2 4.32Å; T329-D331 PolarHBondContact O-N 3.43Å; T329-D331 VanDerWaalsContact O-N 3.13Å; T329-D331 PolarHBondContact OG1-N 3.16Å; T329-G332 PolarHBondContact O-N 2.72Å; T329-T333 WeakPolarHBondContact CG2-OG1 3.29Å; T329-T333 PolarHBondContact N-O 2.79Å; T329-T333 PolarHBondContact OG1-N 2.91Å; T329-T333 PolarHBondContact OG1-O 3.2Å; T329-T333 PolarHBondContact OG1-OG1 2.8Å
330	R	91.9	Very high	94.3	Very high	78 Å²	78	23.1 Å²	23.1	29%	0.294	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.3	175.6	75.8	177	-170.6	160.4	2.5	113.9	V55 F95 A97	V55-R330 HydrophobicContact CB-CB 4.38Å; V55-R330 HydrophobicContact CG2-CB 3.95Å; F95-R330 HydrophobicContact CD2-CB 4.48Å; A97-R330 PolarHBondContact N-O 3.11Å
331	D	91.7	Very high	94.4	Very high	34 Å²	34	24.4 Å²	24.4	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.4	-178.2	-46.2	-51.9	0	0	0	110.7	A97 E98 F99 F100 T329	A97-D331 CarbonylContact C-O 3.26Å; A97-D331 WeakPolarHBondContact CA-O 3.28Å; E98-D331 PolarHBondContact N-O 2.57Å; E98-D331 VanDerWaalsContact N-O 3.14Å; F99-D331 CarbonylContact C-O 3.39Å; F99-D331 WeakPolarHBondContact CA-O 3.24Å; F99-D331 HydrophobicContact CD2-CB 3.76Å; F99-D331 HydrophobicContact CE2-CB 4.4Å; F99-D331 PolarHBondContact N-O 2.69Å; F100-D331 PolarHBondContact N-O 2.95Å; T329-D331 PolarHBondContact O-N 3.43Å; T329-D331 VanDerWaalsContact O-N 3.13Å; T329-D331 PolarHBondContact OG1-N 3.16Å
332	G	91.9	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	91.9	7.6	176.1	0	0	0	0	0	115	W105 T329	W105-G332 WeakPolarHBondContact CZ2-O 3.46Å; W105-G332 PolarHBondContact NE1-O 2.85Å; T329-G332 PolarHBondContact O-N 2.72Å
333	T	94	Very high	94.4	Very high	52 Å²	52	28.1 Å²	28.1	32%	0.319	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-84.3	139.8	176.1	60.8	0	0	0	0	111.5	F99 P328 T329	F99-T333 HydrophobicContact CB-CG2 3.5Å; F99-T333 VanDerWaalsContact CB-CG2 3.5Å; F99-T333 HydrophobicContact CD2-CG2 4.14Å; F99-T333 HydrophobicContact CG-CG2 4.17Å; P328-T333 WeakPolarHBondContact CA-O 3.33Å; T329-T333 WeakPolarHBondContact CG2-OG1 3.29Å; T329-T333 PolarHBondContact N-O 2.79Å; T329-T333 PolarHBondContact OG1-N 2.91Å; T329-T333 PolarHBondContact OG1-O 3.2Å; T329-T333 PolarHBondContact OG1-OG1 2.8Å
334	I	94.7	Very high	94.4	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.062	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-81.6	122.1	165.5	-64.2	173.6	0	0	0	106.6	W105 I108 F109 F338 E339	W105-I334 HydrophobicContact CD2-CD1 4.28Å; W105-I334 HydrophobicContact CG-CD1 3.96Å; I108-I334 HydrophobicContact CD1-CB 4.49Å; I108-I334 HydrophobicContact CD1-CD1 4Å; I108-I334 HydrophobicContact CG2-CD1 4.32Å; F109-I334 HydrophobicContact CE1-CD1 3.67Å; F109-I334 HydrophobicContact CZ-CD1 3.79Å; I334-F338 HydrophobicContact CG2-CB 3.76Å; I334-E339 HydrophobicContact CG2-CB 4.32Å
335	A	93.1	Very high	94.4	Very high	10 Å²	10	29.7 Å²	29.7	8%	0.083	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-59.9	140.9	-178.9	0	0	0	0	0	110.4	Y293 I337 F338 E339	Y293-A335 HydrophobicContact CE2-CB 3.99Å; A335-I337 HydrophobicContact CB-CG2 4.23Å; A335-I337 PolarHBondContact O-N 3.32Å; A335-F338 HydrophobicContact CB-CD2 3.75Å; A335-F338 HydrophobicContact CB-CE2 4.18Å; A335-F338 WeakPolarHBondContact O-CB 3.19Å; A335-F338 PolarHBondContact O-N 3.12Å; A335-E339 PolarHBondContact O-N 3.32Å
336	P	93.8	Very high	94.3	Very high	102 Å²	102	29.9 Å²	29.9	66%	0.662	15%	0.151	S	C	*	.	H	α-helix	trans	-54.1	-30.1	-174.6	-30.5	35.4	0	0	0	114.5	E339 E340	P336-E339 PolarHBondContact O-N 2.62Å; P336-E340 VanDerWaalsContact O-CB 3.24Å; P336-E340 WeakPolarHBondContact O-CB 3.16Å; P336-E340 PolarHBondContact O-N 2.73Å
337	I	93.4	Very high	94.4	Very high	30 Å²	30	35.8 Å²	35.8	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-38.4	175.6	-170.2	161.2	0	0	0	112.9	L299 Y302 A335 R341	L299-I337 HydrophobicContact CD1-CD1 3.38Å; Y302-I337 HydrophobicContact CD1-CD1 4.05Å; Y302-I337 HydrophobicContact CD1-CG1 4.37Å; Y302-I337 HydrophobicContact CD1-CG2 4.2Å; Y302-I337 HydrophobicContact CD2-CD1 3.46Å; Y302-I337 VanDerWaalsContact CD2-CD1 3.46Å; Y302-I337 HydrophobicContact CE1-CD1 4.48Å; Y302-I337 HydrophobicContact CE1-CG2 3.83Å; Y302-I337 HydrophobicContact CE2-CD1 3.95Å; Y302-I337 HydrophobicContact CG-CD1 3.49Å; Y302-I337 VanDerWaalsContact CG-CD1 3.49Å; Y302-I337 HydrophobicContact CG-CG1 4.23Å; A335-I337 HydrophobicContact CB-CG2 4.23Å; A335-I337 PolarHBondContact O-N 3.32Å; I337-R341 VanDerWaalsContact O-CG 3.24Å; I337-R341 WeakPolarHBondContact O-CG 3.16Å; I337-R341 PolarHBondContact O-N 2.74Å
338	F	95	Very high	94.6	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-70.9	-43.4	175.4	-64.9	-55.7	0	0	0	110.4	I286 Y293 Y302 V326 G327 I334 A335 E340 R341 L342	I286-F338 HydrophobicContact CB-CD1 3.89Å; I286-F338 HydrophobicContact CB-CE1 3.93Å; I286-F338 HydrophobicContact CD1-CD1 3.93Å; I286-F338 HydrophobicContact CG1-CD1 4.48Å; I286-F338 HydrophobicContact CG2-CD1 3.91Å; I286-F338 HydrophobicContact CG2-CE1 4.11Å; Y293-F338 HydrophobicContact CD2-CE2 4.11Å; Y302-F338 AromaticContact CD1-CE1 3.9Å; Y302-F338 HydrophobicContact CD1-CE1 3.9Å; Y302-F338 HydrophobicContact CD1-CZ 4.35Å; Y302-F338 HydrophobicContact CE1-CD1 4.41Å; Y302-F338 AromaticContact CE1-CE1 3.64Å; Y302-F338 HydrophobicContact CE1-CE1 3.64Å; Y302-F338 HydrophobicContact CE1-CE2 4.36Å; Y302-F338 AromaticContact CE1-CZ 3.61Å; Y302-F338 HydrophobicContact CE1-CZ 3.61Å; V326-F338 HydrophobicContact CB-CG 4.48Å; V326-F338 HydrophobicContact CG1-CB 4.08Å; V326-F338 HydrophobicContact CG1-CD1 4.39Å; V326-F338 HydrophobicContact CG1-CG 4.34Å; G327-F338 VanDerWaalsContact O-CE2 3.31Å; G327-F338 WeakPolarHBondContact O-CE2 3.45Å; I334-F338 HydrophobicContact CG2-CB 3.76Å; A335-F338 HydrophobicContact CB-CD2 3.75Å; A335-F338 HydrophobicContact CB-CE2 4.18Å; A335-F338 WeakPolarHBondContact O-CB 3.19Å; A335-F338 PolarHBondContact O-N 3.12Å; F338-E340 VanDerWaalsContact C-N 3.35Å; F338-E340 PolarHBondContact O-N 3.43Å; F338-R341 PolarHBondContact O-N 2.62Å; F338-L342 WeakPolarHBondContact O-CB 3.31Å; F338-L342 VanDerWaalsContact O-CG 3.29Å; F338-L342 WeakPolarHBondContact O-CG 3.28Å; F338-L342 PolarHBondContact O-N 3.49Å
339	E	95.4	Very high	94.6	Very high	50 Å²	50	36.1 Å²	36.1	23%	0.234	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-45.1	175.9	-175.1	-177.2	-177.9	0	0	111.4	I108 I334 A335 P336 R341 L342 R343	I108-E339 HydrophobicContact CD1-CG 4.1Å; I108-E339 HydrophobicContact CG1-CG 4.07Å; I108-E339 HydrophobicContact CG2-CG 4.07Å; I334-E339 HydrophobicContact CG2-CB 4.32Å; A335-E339 PolarHBondContact O-N 3.32Å; P336-E339 PolarHBondContact O-N 2.62Å; E339-R341 PolarHBondContact O-N 3.28Å; E339-L342 PolarHBondContact O-N 2.79Å; E339-R343 HydrophobicContact CG-CG 4.25Å; E339-R343 WeakPolarHBondContact O-CB 2.98Å; E339-R343 WeakPolarHBondContact O-CG 3.2Å; E339-R343 PolarHBondContact O-N 3.23Å; E339-R343 IonicContact OE1-CZ 3.39Å; E339-R343 VanDerWaalsContact OE1-CZ 3.27Å; E339-R343 IonicContact OE1-NE 3.29Å; E339-R343 PolarHBondContact OE1-NE 3.04Å; E339-R343 IonicContact OE1-NH2 3.91Å; E339-R343 PolarHBondContact OE1-NH2 2.75Å
340	E	95.8	Very high	94.7	Very high	96 Å²	96	44.6 Å²	44.6	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-51	177.2	-176.6	-173.5	-144.9	0	0	110.8	P336 F338 L342 R343 Q344	P336-E340 VanDerWaalsContact O-CB 3.24Å; P336-E340 WeakPolarHBondContact O-CB 3.16Å; P336-E340 PolarHBondContact O-N 2.73Å; F338-E340 VanDerWaalsContact C-N 3.35Å; F338-E340 PolarHBondContact O-N 3.43Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 3.46Å; E340-Q344 HydrophobicContact CG-CG 4.35Å; E340-Q344 VanDerWaalsContact O-CB 3.29Å; E340-Q344 WeakPolarHBondContact O-CB 3.45Å; E340-Q344 WeakPolarHBondContact O-CG 3.06Å; E340-Q344 PolarHBondContact O-N 3.29Å
341	R	95.6	Very high	94.8	Very high	26 Å²	26	42.8 Å²	42.8	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-39.9	179.2	-65.1	-68.8	173.2	-80.2	-14.1	112.2	I286 I303 L308 I337 F338 E339 M345	I286-R341 HydrophobicContact CD1-CB 4.17Å; I286-R341 HydrophobicContact CG2-CG 4.24Å; I303-R341 PolarHBondContact O-NE 3.4Å; L308-R341 HydrophobicContact CD1-CB 4.04Å; L308-R341 HydrophobicContact CD1-CG 4.31Å; I337-R341 VanDerWaalsContact O-CG 3.24Å; I337-R341 WeakPolarHBondContact O-CG 3.16Å; I337-R341 PolarHBondContact O-N 2.74Å; F338-R341 PolarHBondContact O-N 2.62Å; E339-R341 PolarHBondContact O-N 3.28Å; R341-M345 WeakPolarHBondContact O-CB 3.17Å; R341-M345 PolarHBondContact O-N 2.92Å
342	L	96.2	Very high	94.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-49.9	176.1	-76.9	175.5	0	0	0	111.6	I46 I108 F109 S112 M324 V326 F338 E339 E340 Q344 M345 G346	I46-L342 HydrophobicContact CD1-CD1 4.32Å; I46-L342 HydrophobicContact CD1-CD2 3.56Å; I46-L342 HydrophobicContact CG1-CD2 4.02Å; I108-L342 HydrophobicContact CG2-CB 4.34Å; I108-L342 HydrophobicContact CG2-CD1 3.73Å; F109-L342 HydrophobicContact CD1-CD1 4.17Å; F109-L342 HydrophobicContact CE1-CD1 4.22Å; S112-L342 WeakPolarHBondContact CA-O 3.43Å; S112-L342 VanDerWaalsContact CB-O 3.25Å; S112-L342 WeakPolarHBondContact CB-O 3.31Å; M324-L342 HydrophobicContact CE-CD2 3.35Å; M324-L342 HydrophobicContact CE-CG 4.33Å; V326-L342 HydrophobicContact CG1-CD1 3.83Å; V326-L342 HydrophobicContact CG1-CG 4.33Å; F338-L342 WeakPolarHBondContact O-CB 3.31Å; F338-L342 VanDerWaalsContact O-CG 3.29Å; F338-L342 WeakPolarHBondContact O-CG 3.28Å; F338-L342 PolarHBondContact O-N 3.49Å; E339-L342 PolarHBondContact O-N 2.79Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.39Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 2.8Å; L342-M345 WeakPolarHBondContact O-CB 3.25Å; L342-M345 PolarHBondContact O-N 2.86Å; L342-G346 PolarHBondContact O-N 2.98Å
343	R	96.3	Very high	95	Very high	78 Å²	78	41.5 Å²	41.5	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-66	-36.6	179.1	-69.4	-171.7	-176.6	-79.7	1.9	111.9	D107 A111 E339 E340 G346 Q347	D107-R343 IonicContact OD2-CZ 3.12Å; D107-R343 IonicContact OD2-NH1 3.77Å; D107-R343 PolarHBondContact OD2-NH1 3.44Å; D107-R343 IonicContact OD2-NH2 2.69Å; D107-R343 PolarHBondContact OD2-NH2 3.2Å; A111-R343 HydrophobicContact CB-CG 4.45Å; A111-R343 VanDerWaalsContact CB-NH1 3.35Å; E339-R343 HydrophobicContact CG-CG 4.25Å; E339-R343 WeakPolarHBondContact O-CB 2.98Å; E339-R343 WeakPolarHBondContact O-CG 3.2Å; E339-R343 PolarHBondContact O-N 3.23Å; E339-R343 IonicContact OE1-CZ 3.39Å; E339-R343 VanDerWaalsContact OE1-CZ 3.27Å; E339-R343 IonicContact OE1-NE 3.29Å; E339-R343 PolarHBondContact OE1-NE 3.04Å; E339-R343 IonicContact OE1-NH2 3.91Å; E339-R343 PolarHBondContact OE1-NH2 2.75Å; E340-R343 PolarHBondContact O-N 3.46Å; R343-G346 PolarHBondContact O-N 3.34Å; R343-Q347 WeakPolarHBondContact O-CG 3.33Å; R343-Q347 PolarHBondContact O-N 2.83Å
344	Q	95.8	Very high	95	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-45.5	173	-76.1	171.7	-26.6	0	0	111.6	I305 E340 L342 G346 Q347 W348 W445	I305-Q344 HydrophobicContact CD1-CB 3.78Å; I305-Q344 HydrophobicContact CG1-CB 3.85Å; E340-Q344 HydrophobicContact CG-CG 4.35Å; E340-Q344 VanDerWaalsContact O-CB 3.29Å; E340-Q344 WeakPolarHBondContact O-CB 3.45Å; E340-Q344 WeakPolarHBondContact O-CG 3.06Å; E340-Q344 PolarHBondContact O-N 3.29Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 2.8Å; Q344-G346 VanDerWaalsContact C-N 3.28Å; Q344-G346 PolarHBondContact O-N 2.86Å; Q344-Q347 WeakPolarHBondContact O-CB 3.46Å; Q344-Q347 PolarHBondContact O-N 3.27Å; Q344-W348 PolarHBondContact O-N 3Å; Q344-W348 VanDerWaalsContact O-N 3.11Å; Q344-W445 HydrophobicContact CB-CH2 3.62Å; Q344-W445 HydrophobicContact CB-CZ2 4.14Å; Q344-W445 HydrophobicContact CB-CZ3 4.18Å; Q344-W445 HydrophobicContact CG-CH2 3.78Å; Q344-W445 HydrophobicContact CG-CZ2 3.99Å; Q344-W445 VanDerWaalsContact O-CZ3 3.3Å; Q344-W445 WeakPolarHBondContact O-CZ3 3.26Å
345	M	95.8	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-44.1	174.2	-175.9	63.1	74.1	0	0	111.2	F44 I305 L308 V309 L312 R341 L342 W348 L349	F44-M345 HydrophobicContact CE1-CG 4.02Å; F44-M345 HydrophobicContact CZ-CG 4Å; I305-M345 HydrophobicContact CD1-CB 4.24Å; I305-M345 HydrophobicContact CD1-CE 4.28Å; L308-M345 HydrophobicContact CB-CE 3.7Å; V309-M345 HydrophobicContact CG2-CE 4Å; V309-M345 HydrophobicContact CG2-SD 3.92Å; L312-M345 HydrophobicContact CD2-CE 4.5Å; L312-M345 HydrophobicContact CD2-SD 3.71Å; R341-M345 WeakPolarHBondContact O-CB 3.17Å; R341-M345 PolarHBondContact O-N 2.92Å; L342-M345 WeakPolarHBondContact O-CB 3.25Å; L342-M345 PolarHBondContact O-N 2.86Å; M345-W348 WeakPolarHBondContact O-CB 3.42Å; M345-W348 PolarHBondContact O-N 3.21Å; M345-W348 HydrophobicContact SD-CE3 4.43Å; M345-L349 HydrophobicContact CG-CD1 3.77Å; M345-L349 WeakPolarHBondContact O-CB 3.42Å; M345-L349 WeakPolarHBondContact O-CG 3.31Å; M345-L349 PolarHBondContact O-N 3.22Å; M345-L349 HydrophobicContact SD-CD1 4.22Å
346	G	95.6	Very high	95.1	Very high	8 Å²	8	41.3 Å²	41.3	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-36.8	177.6	0	0	0	0	0	114.8	A111 S112 L342 R343 Q344 W348 L349 K350	A111-G346 VanDerWaalsContact O-CA 3.28Å; A111-G346 WeakPolarHBondContact O-CA 3.38Å; S112-G346 WeakPolarHBondContact O-CA 3.31Å; S112-G346 PolarHBondContact O-N 2.89Å; L342-G346 PolarHBondContact O-N 2.98Å; R343-G346 PolarHBondContact O-N 3.34Å; Q344-G346 VanDerWaalsContact C-N 3.28Å; Q344-G346 PolarHBondContact O-N 2.86Å; G346-W348 VanDerWaalsContact C-N 3.28Å; G346-W348 PolarHBondContact O-N 3.37Å; G346-L349 PolarHBondContact O-N 3.29Å; G346-K350 WeakPolarHBondContact O-CB 3.11Å; G346-K350 PolarHBondContact O-N 3.35Å
347	Q	95.1	Very high	95.2	Very high	125 Å²	125	37.9 Å²	37.9	58%	0.584	18%	0.176	S	C	*	.	H	α-helix	trans	-59.5	-42	172.2	-73.8	170.9	6.2	0	0	111.1	R343 Q344	R343-Q347 WeakPolarHBondContact O-CG 3.33Å; R343-Q347 PolarHBondContact O-N 2.83Å; Q344-Q347 WeakPolarHBondContact O-CB 3.46Å; Q344-Q347 PolarHBondContact O-N 3.27Å
348	W	96.3	Very high	95.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-67.9	-46.8	176	-176.7	80.5	0	0	0	112.3	V309 L312 V313 Q344 M345 G346 K350 V351 N352 I356 L387 Q444 W445 A446	V309-W348 HydrophobicContact CG1-CD2 3.79Å; V309-W348 HydrophobicContact CG1-CE3 4.07Å; V309-W348 HydrophobicContact CG1-CG 4.35Å; V309-W348 HydrophobicContact CG1-CH2 4.17Å; V309-W348 HydrophobicContact CG1-CZ2 3.85Å; V309-W348 HydrophobicContact CG1-CZ3 4.26Å; V309-W348 HydrophobicContact CG2-CD2 4.33Å; V309-W348 HydrophobicContact CG2-CE3 4.5Å; V309-W348 HydrophobicContact CG2-CG 4.35Å; L312-W348 HydrophobicContact CD2-CZ3 4.06Å; V313-W348 HydrophobicContact CG2-CH2 3.64Å; V313-W348 HydrophobicContact CG2-CZ2 4.07Å; Q344-W348 PolarHBondContact O-N 3Å; Q344-W348 VanDerWaalsContact O-N 3.11Å; M345-W348 WeakPolarHBondContact O-CB 3.42Å; M345-W348 PolarHBondContact O-N 3.21Å; M345-W348 HydrophobicContact SD-CE3 4.43Å; G346-W348 VanDerWaalsContact C-N 3.28Å; G346-W348 PolarHBondContact O-N 3.37Å; W348-K350 VanDerWaalsContact C-N 3.26Å; W348-K350 PolarHBondContact O-N 3.41Å; W348-V351 PolarHBondContact O-N 3.43Å; W348-V351 VanDerWaalsContact O-N 3.1Å; W348-N352 VanDerWaalsContact CD1-ND2 3.34Å; W348-N352 HydrophobicContact CD2-CB 4.24Å; W348-N352 HydrophobicContact CH2-CB 4Å; W348-N352 HydrophobicContact CZ2-CB 3.66Å; W348-N352 HydrophobicContact CZ3-CB 4.45Å; W348-N352 PolarHBondContact NE1-ND2 3.37Å; W348-N352 PolarHBondContact O-N 3.08Å; W348-N352 PolarHBondContact O-ND2 2.86Å; W348-I356 HydrophobicContact CH2-CD1 3.99Å; W348-I356 HydrophobicContact CH2-CG1 3.92Å; W348-I356 HydrophobicContact CZ3-CD1 4.3Å; W348-I356 HydrophobicContact CZ3-CG1 3.92Å; W348-L387 HydrophobicContact CH2-CD2 4.03Å; W348-L387 HydrophobicContact CZ2-CD2 4.22Å; W348-Q444 VanDerWaalsContact CD1-O 3.23Å; W348-W445 HydrophobicContact CB-CE3 4.06Å; W348-W445 HydrophobicContact CB-CZ3 4.07Å; W348-W445 HydrophobicContact CG-CE3 4.49Å; W348-A446 HydrophobicContact CZ2-CB 4.01Å; W348-A446 PolarHBondContact NE1-O 3.43Å
349	L	96.1	Very high	95.1	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-24.5	178.7	-76	167.1	0	0	0	113.3	F44 L312 M345 G346 V351 G353 I356 Y357	F44-L349 HydrophobicContact CD1-CD1 3.78Å; F44-L349 HydrophobicContact CE1-CD1 4.21Å; F44-L349 HydrophobicContact CG-CD1 4.45Å; L312-L349 HydrophobicContact CD2-CD1 4.15Å; L312-L349 HydrophobicContact CD2-CD2 3.98Å; L312-L349 HydrophobicContact CD2-CG 4.38Å; M345-L349 HydrophobicContact CG-CD1 3.77Å; M345-L349 WeakPolarHBondContact O-CB 3.42Å; M345-L349 WeakPolarHBondContact O-CG 3.31Å; M345-L349 PolarHBondContact O-N 3.22Å; M345-L349 HydrophobicContact SD-CD1 4.22Å; G346-L349 PolarHBondContact O-N 3.29Å; L349-V351 PolarHBondContact O-N 2.99Å; L349-G353 WeakPolarHBondContact O-CA 3.42Å; L349-G353 PolarHBondContact O-N 3.13Å; L349-I356 HydrophobicContact CD2-CB 4.13Å; L349-I356 HydrophobicContact CD2-CG1 4Å; L349-I356 HydrophobicContact CD2-CG2 4.12Å; L349-Y357 HydrophobicContact CB-CE2 4.47Å; L349-Y357 WeakPolarHBondContact CD1-OH 3.48Å; L349-Y357 HydrophobicContact CD2-CE2 4.23Å
350	K	94.7	Very high	95	Very high	191 Å²	191	40 Å²	40	83%	0.83	19%	0.191	S	C	*	.	H	α-helix	trans	-63.7	-30.3	173.1	-171	175.9	-178.8	179.5	0	112.3	G346 W348	G346-K350 WeakPolarHBondContact O-CB 3.11Å; G346-K350 PolarHBondContact O-N 3.35Å; W348-K350 VanDerWaalsContact C-N 3.26Å; W348-K350 PolarHBondContact O-N 3.41Å
351	V	94.1	Very high	94.7	Very high	40 Å²	40	36.5 Å²	36.5	24%	0.242	18%	0.179	C	C	.	.	H	α-helix	trans	-94.8	-51.8	-179.9	-179.2	0	0	0	0	110.5	W348 L349 V414 P442 C443	W348-V351 PolarHBondContact O-N 3.43Å; W348-V351 VanDerWaalsContact O-N 3.1Å; L349-V351 PolarHBondContact O-N 2.99Å; V351-V414 WeakPolarHBondContact O-CG1 3.32Å; V351-P442 HydrophobicContact CG1-CB 4.27Å; V351-P442 WeakPolarHBondContact CG2-O 3.25Å; V351-C443 HydrophobicContact CB-CB 4.27Å; V351-C443 HydrophobicContact CG1-CB 4.28Å; V351-C443 HydrophobicContact CG2-CB 4.43Å
352	N	95.1	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-93.8	4.8	-173.8	-62.4	-70.4	0	0	0	113.9	W348 E354 A355 C443 T448	W348-N352 VanDerWaalsContact CD1-ND2 3.34Å; W348-N352 HydrophobicContact CD2-CB 4.24Å; W348-N352 HydrophobicContact CH2-CB 4Å; W348-N352 HydrophobicContact CZ2-CB 3.66Å; W348-N352 HydrophobicContact CZ3-CB 4.45Å; W348-N352 PolarHBondContact NE1-ND2 3.37Å; W348-N352 PolarHBondContact O-N 3.08Å; W348-N352 PolarHBondContact O-ND2 2.86Å; N352-E354 PolarHBondContact O-N 3.33Å; N352-E354 VanDerWaalsContact O-N 3.15Å; N352-A355 WeakPolarHBondContact O-CB 3.4Å; N352-A355 PolarHBondContact O-N 2.66Å; N352-C443 PolarHBondContact ND2-SG 3.38Å; N352-T448 VanDerWaalsContact OD1-CB 3.22Å; N352-T448 WeakPolarHBondContact OD1-CB 3.45Å; N352-T448 PolarHBondContact OD1-OG1 2.97Å
353	G	93.4	Very high	93.8	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.4	-27.7	-174	0	0	0	0	0	114.2	L349 A355 I356 Y357	L349-G353 WeakPolarHBondContact O-CA 3.42Å; L349-G353 PolarHBondContact O-N 3.13Å; G353-A355 PolarHBondContact O-N 3.06Å; G353-I356 PolarHBondContact O-N 3.2Å; G353-I356 VanDerWaalsContact O-N 3.09Å; G353-Y357 WeakPolarHBondContact O-CD2 3.33Å; G353-Y357 PolarHBondContact O-N 2.78Å
354	E	94.3	Very high	93.1	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-61.2	-30.6	175	-167.8	-171.5	148.3	0	0	112.7	N352 I356 T359 F385 K450	N352-E354 PolarHBondContact O-N 3.33Å; N352-E354 VanDerWaalsContact O-N 3.15Å; E354-I356 VanDerWaalsContact C-N 3.31Å; E354-T359 WeakPolarHBondContact O-CG2 3.27Å; E354-F385 HydrophobicContact CG-CE1 4.24Å; E354-F385 HydrophobicContact CG-CZ 3.92Å; E354-K450 IonicContact OE1-NZ 3.46Å; E354-K450 PolarHBondContact OE1-NZ 2.93Å; E354-K450 IonicContact OE2-NZ 3.54Å
355	A	94	Very high	92.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-86.9	-1.9	178.3	0	0	0	0	0	113.8	N352 G353 T359 T376 F385 L387 T448	N352-A355 WeakPolarHBondContact O-CB 3.4Å; N352-A355 PolarHBondContact O-N 2.66Å; G353-A355 PolarHBondContact O-N 3.06Å; A355-T359 VanDerWaalsContact C-CG2 3.45Å; A355-T359 WeakPolarHBondContact O-CG2 3.27Å; A355-T376 WeakPolarHBondContact O-CB 3.44Å; A355-T376 PolarHBondContact O-OG1 3.17Å; A355-F385 HydrophobicContact CB-CB 3.68Å; A355-F385 HydrophobicContact CB-CD1 3.46Å; A355-F385 VanDerWaalsContact CB-CD1 3.46Å; A355-F385 HydrophobicContact CB-CD2 4.2Å; A355-F385 HydrophobicContact CB-CE1 4.05Å; A355-F385 HydrophobicContact CB-CG 3.52Å; A355-L387 HydrophobicContact CB-CD2 4.29Å; A355-T448 HydrophobicContact CB-CG2 3.54Å
356	I	95.6	Very high	92.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-64.8	180	-61.6	-60.2	0	0	0	109.3	K43 V313 V316 W348 L349 G353 E354 T359 L387	K43-I356 HydrophobicContact CB-CG2 3.78Å; K43-I356 HydrophobicContact CG-CG2 4.1Å; K43-I356 VanDerWaalsContact CG-O 3.24Å; K43-I356 WeakPolarHBondContact CG-O 3.47Å; V313-I356 HydrophobicContact CG2-CD1 4.48Å; V316-I356 HydrophobicContact CB-CD1 4.47Å; V316-I356 HydrophobicContact CG1-CD1 4.4Å; V316-I356 HydrophobicContact CG2-CG2 4.19Å; W348-I356 HydrophobicContact CH2-CD1 3.99Å; W348-I356 HydrophobicContact CH2-CG1 3.92Å; W348-I356 HydrophobicContact CZ3-CD1 4.3Å; W348-I356 HydrophobicContact CZ3-CG1 3.92Å; L349-I356 HydrophobicContact CD2-CB 4.13Å; L349-I356 HydrophobicContact CD2-CG1 4Å; L349-I356 HydrophobicContact CD2-CG2 4.12Å; G353-I356 PolarHBondContact O-N 3.2Å; G353-I356 VanDerWaalsContact O-N 3.09Å; E354-I356 VanDerWaalsContact C-N 3.31Å; I356-T359 PolarHBondContact O-N 3.18Å; I356-T359 PolarHBondContact O-OG1 3.25Å; I356-L387 HydrophobicContact CD1-CD2 3.91Å
357	Y	95.5	Very high	91.6	Very high	30 Å²	30	44 Å²	44	12%	0.118	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	144.7	-176.6	-52.3	-64.9	0	0	0	111.7	A42 G113 K115 L349 G353 T359	A42-Y357 VanDerWaalsContact O-CD1 3.28Å; A42-Y357 WeakPolarHBondContact O-CD1 3.43Å; A42-Y357 WeakPolarHBondContact O-CE1 3.44Å; G113-Y357 PolarHBondContact O-OH 3.35Å; K115-Y357 HydrophobicContact CD-CE1 4.37Å; K115-Y357 HydrophobicContact CG-CD1 4.14Å; K115-Y357 HydrophobicContact CG-CE1 3.83Å; L349-Y357 HydrophobicContact CB-CE2 4.47Å; L349-Y357 WeakPolarHBondContact CD1-OH 3.48Å; L349-Y357 HydrophobicContact CD2-CE2 4.23Å; G353-Y357 WeakPolarHBondContact O-CD2 3.33Å; G353-Y357 PolarHBondContact O-N 2.78Å; Y357-T359 PolarHBondContact O-N 2.74Å; Y357-T359 VanDerWaalsContact O-N 3.09Å
358	N	93.7	Very high	90.5	Very high	75 Å²	75	44.3 Å²	44.3	40%	0.401	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	22.4	-180	-53.6	-39.4	0	0	0	114.2	Q41	Q41-N358 WeakPolarHBondContact CB-OD1 3.37Å; Q41-N358 WeakPolarHBondContact CG-OD1 3.42Å; Q41-N358 PolarHBondContact O-N 2.81Å; Q41-N358 PolarHBondContact OE1-OD1 3.07Å
359	T	93.7	Very high	89.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.			trans	-99.6	162.4	175	67.7	0	0	0	0	111.5	K43 E354 A355 I356 Y357 S377 F385	K43-T359 WeakPolarHBondContact CE-O 3.25Å; K43-T359 PolarHBondContact NZ-O 2.79Å; E354-T359 WeakPolarHBondContact O-CG2 3.27Å; A355-T359 VanDerWaalsContact C-CG2 3.45Å; A355-T359 WeakPolarHBondContact O-CG2 3.27Å; I356-T359 PolarHBondContact O-N 3.18Å; I356-T359 PolarHBondContact O-OG1 3.25Å; Y357-T359 PolarHBondContact O-N 2.74Å; Y357-T359 VanDerWaalsContact O-N 3.09Å; T359-S377 CarbonylContact C-O 3.47Å; T359-S377 WeakPolarHBondContact CA-O 3.22Å; T359-S377 WeakPolarHBondContact CB-O 3.06Å; T359-F385 HydrophobicContact CG2-CE2 4.5Å
360	T	91.9	Very high	88.2	Confident	53 Å²	53	49.9 Å²	49.9	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.7	173.2	51.6	0	0	0	0	109.8	W362 S377 P379	T360-W362 PolarHBondContact O-N 2.92Å; T360-S377 PolarHBondContact N-O 2.8Å; T360-S377 PolarHBondContact O-N 3.37Å; T360-S377 PolarHBondContact O-OG 3.46Å; T360-S377 VanDerWaalsContact O-OG 3.05Å; T360-S377 PolarHBondContact OG1-O 2.94Å; T360-S377 PolarHBondContact OG1-OG 3.29Å; T360-P379 WeakPolarHBondContact OG1-CD 3.43Å
361	A	89.7	Confident	87.5	Confident	24 Å²	24	48.8 Å²	48.8	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	132.6	171.5	0	0	0	0	0	109.8	L275 S317	L275-A361 HydrophobicContact CD1-CB 3.45Å; L275-A361 VanDerWaalsContact CD1-CB 3.45Å; L275-A361 HydrophobicContact CD2-CB 4.07Å; L275-A361 HydrophobicContact CG-CB 4.34Å; S317-A361 VanDerWaalsContact O-CB 3.27Å; S317-A361 WeakPolarHBondContact O-CB 3.47Å
362	W	87.6	Confident	87.1	Confident	21 Å²	21	49 Å²	49	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	172.2	175.4	-170.2	49.9	0	0	0	110.7	T360 A364 Q365 Y375 I384 E401 P402 S455	T360-W362 PolarHBondContact O-N 2.92Å; W362-A364 HydrophobicContact CE3-CB 4.19Å; W362-A364 HydrophobicContact CZ3-CB 4.23Å; W362-A364 PolarHBondContact O-N 3.11Å; W362-Q365 PolarHBondContact O-NE2 2.69Å; W362-Y375 HydrophobicContact CE3-CD1 4Å; W362-Y375 AromaticContact CE3-CD2 3.93Å; W362-Y375 HydrophobicContact CE3-CD2 3.93Å; W362-Y375 AromaticContact CE3-CG 3.58Å; W362-Y375 HydrophobicContact CE3-CG 3.58Å; W362-Y375 AromaticContact CZ3-CD1 3.95Å; W362-Y375 HydrophobicContact CZ3-CD1 3.95Å; W362-Y375 AromaticContact CZ3-CD2 3.9Å; W362-Y375 HydrophobicContact CZ3-CD2 3.9Å; W362-Y375 HydrophobicContact CZ3-CE1 4.17Å; W362-Y375 HydrophobicContact CZ3-CE2 4.13Å; W362-Y375 AromaticContact CZ3-CG 3.8Å; W362-Y375 HydrophobicContact CZ3-CG 3.8Å; W362-I384 HydrophobicContact CD2-CG2 4.07Å; W362-I384 HydrophobicContact CE3-CG2 4.2Å; W362-I384 HydrophobicContact CH2-CD1 4.37Å; W362-I384 HydrophobicContact CH2-CG2 4.49Å; W362-I384 HydrophobicContact CZ2-CD1 3.55Å; W362-I384 HydrophobicContact CZ2-CG1 4.35Å; W362-I384 HydrophobicContact CZ2-CG2 4.39Å; W362-I384 HydrophobicContact CZ3-CG2 4.39Å; W362-E401 HydrophobicContact CH2-CB 3.92Å; W362-E401 HydrophobicContact CZ3-CB 3.7Å; W362-P402 HydrophobicContact CH2-CB 4.27Å; W362-P402 HydrophobicContact CH2-CG 4.06Å; W362-P402 HydrophobicContact CZ3-CG 4.48Å; W362-S455 WeakPolarHBondContact CZ2-OXT 3.46Å
363	R	84.9	Confident	86.9	Confident	130 Å²	130	49.2 Å²	49.2	49%	0.491	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	-37.7	-177	70.4	175.8	175.3	-120.9	-7.4	113	Q365 E401 S455	R363-Q365 PolarHBondContact O-NE2 3.33Å; R363-Q365 VanDerWaalsContact O-NE2 3.15Å; R363-E401 PolarHBondContact NH2-O 2.75Å; R363-S455 PolarHBondContact NH1-O 3.18Å; R363-S455 PolarHBondContact NH1-OXT 3.26Å; R363-S455 PolarHBondContact NH2-O 3Å; R363-S455 PolarHBondContact NH2-OXT 3.24Å
364	A	83.1	Confident	86.9	Confident	13 Å²	13	49.6 Å²	49.6	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.7	174	0	0	0	0	0	107.2	W362 Y375 E401	W362-A364 HydrophobicContact CE3-CB 4.19Å; W362-A364 HydrophobicContact CZ3-CB 4.23Å; W362-A364 PolarHBondContact O-N 3.11Å; A364-Y375 WeakPolarHBondContact O-CB 3.45Å; A364-E401 HydrophobicContact CB-CB 4.24Å; A364-E401 HydrophobicContact CB-CG 3.88Å; A364-E401 WeakPolarHBondContact CB-OE2 3.34Å
365	Q	84.1	Confident	86.8	Confident	36 Å²	36	46.3 Å²	46.3	17%	0.168	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-33.8	-178.3	-67.6	73.7	65.8	0	0	111.2	L275 S317 W362 R363 W374 Y375	L275-Q365 HydrophobicContact CB-CG 4.3Å; S317-Q365 VanDerWaalsContact O-CG 3.24Å; S317-Q365 WeakPolarHBondContact O-CG 3.47Å; W362-Q365 PolarHBondContact O-NE2 2.69Å; R363-Q365 PolarHBondContact O-NE2 3.33Å; R363-Q365 VanDerWaalsContact O-NE2 3.15Å; Q365-W374 HydrophobicContact CB-CE3 4.42Å; Q365-W374 HydrophobicContact CB-CZ3 4.31Å; Q365-W374 WeakPolarHBondContact O-CA 3.27Å; Q365-Y375 PolarHBondContact O-N 2.92Å
366	K	86.3	Confident	86.8	Confident	97 Å²	97	46.3 Å²	46.3	42%	0.422	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.7	-175.7	-170.9	-176.7	176.6	173	0	110.3	I373 W374	K366-I373 WeakPolarHBondContact CA-O 3.42Å; K366-I373 WeakPolarHBondContact CG-O 3.15Å; K366-W374 HydrophobicContact CB-CD2 4.34Å; K366-W374 HydrophobicContact CB-CE3 4.03Å; K366-W374 HydrophobicContact CB-CH2 4.27Å; K366-W374 HydrophobicContact CB-CZ3 3.99Å; K366-W374 HydrophobicContact CD-CH2 4.15Å; K366-W374 HydrophobicContact CD-CZ2 3.94Å; K366-W374 HydrophobicContact CG-CD2 4.35Å; K366-W374 HydrophobicContact CG-CH2 4.42Å; K366-W374 HydrophobicContact CG-CZ2 4.24Å
367	E	83.6	Confident	86.7	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.019	23%	0.234	C	C	.	.			trans	-71.8	141.8	171	-175.8	50.2	-108.1	0	0	111.6	V369 I373 Y375 L399 N400 E401	E367-V369 PolarHBondContact OE1-N 3.26Å; E367-I373 HydrophobicContact CB-CB 3.82Å; E367-I373 HydrophobicContact CB-CG2 4.22Å; E367-I373 PolarHBondContact N-O 3.3Å; E367-Y375 HydrophobicContact CB-CE2 3.9Å; E367-Y375 PolarHBondContact OE2-OH 2.85Å; E367-L399 WeakPolarHBondContact OE2-CA 3.4Å; E367-N400 PolarHBondContact OE1-N 2.93Å; E367-N400 PolarHBondContact OE2-N 3.47Å; E367-E401 PolarHBondContact OE2-N 2.79Å
368	N	72.8	Confident	86.6	Confident	133 Å²	133	46.7 Å²	46.7	71%	0.711	23%	0.234	S	C	*	.	S	Bend	trans	-85.8	-30.9	-176.1	-80.8	-38.8	0	0	0	112.8	E401	N368-E401 PolarHBondContact ND2-OE1 2.89Å
369	V	71.1	Confident	86.3	Confident	84 Å²	84	46.7 Å²	46.7	51%	0.509	24%	0.238	S	C	.	.	S	Bend	trans	-97.4	-54	-174.1	175.4	0	0	0	0	112.2	E367 N400	E367-V369 PolarHBondContact OE1-N 3.26Å; V369-N400 HydrophobicContact CG2-CB 4.44Å; V369-N400 WeakPolarHBondContact CG2-ND2 3.42Å
370	T	72.4	Confident	85.8	Confident	40 Å²	40	54 Å²	54	25%	0.245	27%	0.272	C	S	.	.	S	Bend	trans	-88.4	121.8	179.2	-50.1	0	0	0	0	109.2	I373 V397 I398	T370-I373 HydrophobicContact CG2-CD1 3.57Å; T370-I373 HydrophobicContact CG2-CG1 4.1Å; T370-V397 HydrophobicContact CG2-CG2 4.23Å; T370-I398 PolarHBondContact OG1-O 3.28Å
371	K	80	Confident	85.5	Confident	167 Å²	167	55.5 Å²	55.5	73%	0.726	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	153.6	178.3	-66	-176.8	-177.7	176.9	0	110	I373	K371-I373 VanDerWaalsContact C-N 3.27Å; K371-I373 PolarHBondContact O-N 3.21Å
372	N	86.3	Confident	85.5	Confident	45 Å²	45	62.3 Å²	62.3	24%	0.241	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	28.2	169.8	-51.6	-29.2	0	0	0	114.7	L389 E390	N372-L389 HydrophobicContact CB-CB 4.09Å; N372-L389 HydrophobicContact CB-CD1 4.39Å; N372-L389 WeakPolarHBondContact O-CG 3.27Å; N372-L389 PolarHBondContact O-N 3.12Å; N372-E390 PolarHBondContact ND2-OE1 3.21Å; N372-E390 PolarHBondContact ND2-OE2 3.23Å
373	I	90.5	Very high	85.7	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	169.4	-54.8	-175.2	0	0	0	110	K366 E367 T370 K371 Y375 A386 L387 L388 V397 L399	K366-I373 WeakPolarHBondContact CA-O 3.42Å; K366-I373 WeakPolarHBondContact CG-O 3.15Å; E367-I373 HydrophobicContact CB-CB 3.82Å; E367-I373 HydrophobicContact CB-CG2 4.22Å; E367-I373 PolarHBondContact N-O 3.3Å; T370-I373 HydrophobicContact CG2-CD1 3.57Å; T370-I373 HydrophobicContact CG2-CG1 4.1Å; K371-I373 VanDerWaalsContact C-N 3.27Å; K371-I373 PolarHBondContact O-N 3.21Å; I373-Y375 HydrophobicContact CG2-CE1 4.49Å; I373-A386 HydrophobicContact CG2-CB 4.18Å; I373-L387 VanDerWaalsContact CA-O 3.31Å; I373-L387 WeakPolarHBondContact CA-O 3.41Å; I373-L388 HydrophobicContact CD1-CG 4.12Å; I373-L388 HydrophobicContact CG1-CG 4.22Å; I373-V397 HydrophobicContact CD1-CG2 3.31Å; I373-L399 HydrophobicContact CD1-CD2 3.65Å; I373-L399 HydrophobicContact CG2-CD2 4.01Å
374	W	93.2	Very high	86.1	Confident	17 Å²	17	55.5 Å²	55.5	6%	0.064	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157	179.9	-65.8	89.3	0	0	0	111	V313 E314 S317 Q365 K366 L387	V313-W374 HydrophobicContact CG1-CB 3.6Å; V313-W374 HydrophobicContact CG1-CG 3.98Å; E314-W374 HydrophobicContact CB-CH2 4.47Å; E314-W374 HydrophobicContact CB-CZ2 4.29Å; E314-W374 HydrophobicContact CG-CD2 4.03Å; E314-W374 VanDerWaalsContact CG-CE2 3.42Å; E314-W374 HydrophobicContact CG-CH2 4.13Å; E314-W374 HydrophobicContact CG-CZ2 3.49Å; E314-W374 VanDerWaalsContact CG-CZ2 3.49Å; S317-W374 WeakPolarHBondContact OG-CB 3.22Å; Q365-W374 HydrophobicContact CB-CE3 4.42Å; Q365-W374 HydrophobicContact CB-CZ3 4.31Å; Q365-W374 WeakPolarHBondContact O-CA 3.27Å; K366-W374 HydrophobicContact CB-CD2 4.34Å; K366-W374 HydrophobicContact CB-CE3 4.03Å; K366-W374 HydrophobicContact CB-CH2 4.27Å; K366-W374 HydrophobicContact CB-CZ3 3.99Å; K366-W374 HydrophobicContact CD-CH2 4.15Å; K366-W374 HydrophobicContact CD-CZ2 3.94Å; K366-W374 HydrophobicContact CG-CD2 4.35Å; K366-W374 HydrophobicContact CG-CH2 4.42Å; K366-W374 HydrophobicContact CG-CZ2 4.24Å; W374-L387 PolarHBondContact N-O 3.17Å; W374-L387 PolarHBondContact O-N 3.11Å
375	Y	93.3	Very high	86.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.6	-174.7	-64.2	-74.5	0	0	0	112.9	S317 W362 A364 Q365 E367 I373 I384 F385 A386 L399 E401 P402	S317-Y375 WeakPolarHBondContact CB-O 3.22Å; S317-Y375 PolarHBondContact OG-O 3.23Å; W362-Y375 HydrophobicContact CE3-CD1 4Å; W362-Y375 AromaticContact CE3-CD2 3.93Å; W362-Y375 HydrophobicContact CE3-CD2 3.93Å; W362-Y375 AromaticContact CE3-CG 3.58Å; W362-Y375 HydrophobicContact CE3-CG 3.58Å; W362-Y375 AromaticContact CZ3-CD1 3.95Å; W362-Y375 HydrophobicContact CZ3-CD1 3.95Å; W362-Y375 AromaticContact CZ3-CD2 3.9Å; W362-Y375 HydrophobicContact CZ3-CD2 3.9Å; W362-Y375 HydrophobicContact CZ3-CE1 4.17Å; W362-Y375 HydrophobicContact CZ3-CE2 4.13Å; W362-Y375 AromaticContact CZ3-CG 3.8Å; W362-Y375 HydrophobicContact CZ3-CG 3.8Å; A364-Y375 WeakPolarHBondContact O-CB 3.45Å; Q365-Y375 PolarHBondContact O-N 2.92Å; E367-Y375 HydrophobicContact CB-CE2 3.9Å; E367-Y375 PolarHBondContact OE2-OH 2.85Å; I373-Y375 HydrophobicContact CG2-CE1 4.49Å; Y375-I384 HydrophobicContact CD1-CG2 4.14Å; Y375-F385 VanDerWaalsContact CA-O 3.31Å; Y375-F385 WeakPolarHBondContact CA-O 3.32Å; Y375-A386 HydrophobicContact CD1-CB 3.88Å; Y375-A386 HydrophobicContact CE1-CB 3.53Å; Y375-L399 WeakPolarHBondContact OH-CD2 3.4Å; Y375-E401 HydrophobicContact CE2-CB 4Å; Y375-E401 HydrophobicContact CE2-CG 4.05Å; Y375-P402 HydrophobicContact CE1-CG 4.18Å
376	T	94.2	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.2	164	63.9	0	0	0	0	109.1	V316 A355 F385 L387	V316-T376 HydrophobicContact CG1-CG2 3.93Å; A355-T376 WeakPolarHBondContact O-CB 3.44Å; A355-T376 PolarHBondContact O-OG1 3.17Å; T376-F385 PolarHBondContact N-O 3.04Å; T376-F385 PolarHBondContact O-N 3.2Å; T376-F385 WeakPolarHBondContact OG1-CB 3.4Å; T376-L387 HydrophobicContact CG2-CD1 3.89Å
377	S	93.3	Very high	87.5	Confident	11 Å²	11	48.5 Å²	48.5	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.6	178.3	61	0	0	0	0	111.1	T359 T360 A383	T359-S377 CarbonylContact C-O 3.47Å; T359-S377 WeakPolarHBondContact CA-O 3.22Å; T359-S377 WeakPolarHBondContact CB-O 3.06Å; T360-S377 PolarHBondContact N-O 2.8Å; T360-S377 PolarHBondContact O-N 3.37Å; T360-S377 PolarHBondContact O-OG 3.46Å; T360-S377 VanDerWaalsContact O-OG 3.05Å; T360-S377 PolarHBondContact OG1-O 2.94Å; T360-S377 PolarHBondContact OG1-OG 3.29Å; S377-A383 WeakPolarHBondContact CA-O 3.48Å
378	K	93.3	Very high	88	Confident	27 Å²	27	48.5 Å²	48.5	12%	0.117	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	88.2	173	-163.8	171.4	-168.5	-168	0	108.6	Q380 E381 K382 A383 F385	K378-Q380 PolarHBondContact O-N 3.22Å; K378-E381 HydrophobicContact CD-CG 4.21Å; K378-E381 WeakPolarHBondContact CD-OE1 3.09Å; K378-E381 WeakPolarHBondContact CE-OE1 3.5Å; K378-E381 HydrophobicContact CG-CB 4.5Å; K378-E381 HydrophobicContact CG-CG 4.42Å; K378-E381 IonicContact NZ-OE1 2.62Å; K378-E381 PolarHBondContact NZ-OE1 2.83Å; K378-E381 PolarHBondContact O-N 3.12Å; K378-K382 PolarHBondContact O-N 3.18Å; K378-A383 PolarHBondContact N-O 3.29Å; K378-A383 PolarHBondContact O-N 2.56Å; K378-F385 HydrophobicContact CB-CE2 3.85Å
379	P	86.3	Confident	88.9	Confident	75 Å²	75	43.3 Å²	43.3	49%	0.487	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57	-34.1	-171.4	-27.9	35.7	0	0	0	113.8	T360 E381 K382	T360-P379 WeakPolarHBondContact OG1-CD 3.43Å; P379-E381 PolarHBondContact O-N 3.49Å; P379-K382 PolarHBondContact O-N 2.74Å; P379-K382 VanDerWaalsContact O-N 3.13Å
380	Q	84.8	Confident	89.8	Confident	152 Å²	152	45.2 Å²	45.2	71%	0.71	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-61.7	-30.7	179.8	-62.4	77.3	10.6	0	0	112.2	K378	K378-Q380 PolarHBondContact O-N 3.22Å
381	E	85.9	Confident	90.5	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.402	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-102.3	-0.5	179.7	-65.4	-179.9	-151.7	0	0	112.6	K378 P379 A383 K450	K378-E381 HydrophobicContact CD-CG 4.21Å; K378-E381 WeakPolarHBondContact CD-OE1 3.09Å; K378-E381 WeakPolarHBondContact CE-OE1 3.5Å; K378-E381 HydrophobicContact CG-CB 4.5Å; K378-E381 HydrophobicContact CG-CG 4.42Å; K378-E381 IonicContact NZ-OE1 2.62Å; K378-E381 PolarHBondContact NZ-OE1 2.83Å; K378-E381 PolarHBondContact O-N 3.12Å; P379-E381 PolarHBondContact O-N 3.49Å; E381-A383 HydrophobicContact CB-CB 4.14Å; E381-A383 PolarHBondContact O-N 3.3Å; E381-K450 IonicContact OE2-NZ 3.98Å
382	K	87.8	Confident	90.8	Very high	166 Å²	166	39.5 Å²	39.5	72%	0.722	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.1	-171.1	-57.8	-179.8	-179.8	179.1	0	111.8	K378 P379 G453	K378-K382 PolarHBondContact O-N 3.18Å; P379-K382 PolarHBondContact O-N 2.74Å; P379-K382 VanDerWaalsContact O-N 3.13Å; K382-G453 PolarHBondContact O-N 3.12Å
383	A	91.9	Very high	90.7	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137	-178.2	0	0	0	0	0	110.7	S377 K378 E381 F385 K450 L451 T452	S377-A383 WeakPolarHBondContact CA-O 3.48Å; K378-A383 PolarHBondContact N-O 3.29Å; K378-A383 PolarHBondContact O-N 2.56Å; E381-A383 HydrophobicContact CB-CB 4.14Å; E381-A383 PolarHBondContact O-N 3.3Å; A383-F385 HydrophobicContact CB-CE2 4.04Å; A383-F385 HydrophobicContact CB-CZ 4.2Å; A383-K450 HydrophobicContact CB-CG 4.47Å; A383-L451 WeakPolarHBondContact CA-O 3.19Å; A383-T452 HydrophobicContact CB-CG2 4.22Å
384	I	93.4	Very high	90.3	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.6	169.9	-59.9	161.4	0	0	0	106.6	W362 Y375 L451 A454	W362-I384 HydrophobicContact CD2-CG2 4.07Å; W362-I384 HydrophobicContact CE3-CG2 4.2Å; W362-I384 HydrophobicContact CH2-CD1 4.37Å; W362-I384 HydrophobicContact CH2-CG2 4.49Å; W362-I384 HydrophobicContact CZ2-CD1 3.55Å; W362-I384 HydrophobicContact CZ2-CG1 4.35Å; W362-I384 HydrophobicContact CZ2-CG2 4.39Å; W362-I384 HydrophobicContact CZ3-CG2 4.39Å; Y375-I384 HydrophobicContact CD1-CG2 4.14Å; I384-L451 HydrophobicContact CB-CB 4.39Å; I384-L451 PolarHBondContact N-O 3.01Å; I384-L451 PolarHBondContact O-N 3.19Å; I384-A454 HydrophobicContact CD1-CB 4.13Å; I384-A454 WeakPolarHBondContact CD1-O 3.5Å
385	F	94.9	Very high	89.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	176.9	-60.3	-89.6	0	0	0	109.1	E354 A355 T359 Y375 T376 K378 A383 L387 T448 L449 K450	E354-F385 HydrophobicContact CG-CE1 4.24Å; E354-F385 HydrophobicContact CG-CZ 3.92Å; A355-F385 HydrophobicContact CB-CB 3.68Å; A355-F385 HydrophobicContact CB-CD1 3.46Å; A355-F385 VanDerWaalsContact CB-CD1 3.46Å; A355-F385 HydrophobicContact CB-CD2 4.2Å; A355-F385 HydrophobicContact CB-CE1 4.05Å; A355-F385 HydrophobicContact CB-CG 3.52Å; T359-F385 HydrophobicContact CG2-CE2 4.5Å; Y375-F385 VanDerWaalsContact CA-O 3.31Å; Y375-F385 WeakPolarHBondContact CA-O 3.32Å; T376-F385 PolarHBondContact N-O 3.04Å; T376-F385 PolarHBondContact O-N 3.2Å; T376-F385 WeakPolarHBondContact OG1-CB 3.4Å; K378-F385 HydrophobicContact CB-CE2 3.85Å; A383-F385 HydrophobicContact CB-CE2 4.04Å; A383-F385 HydrophobicContact CB-CZ 4.2Å; F385-L387 HydrophobicContact CB-CD1 4.45Å; F385-T448 HydrophobicContact CB-CG2 3.96Å; F385-T448 HydrophobicContact CD1-CG2 3.78Å; F385-T448 HydrophobicContact CG-CG2 4.34Å; F385-L449 CarbonylContact C-O 3.52Å; F385-L449 VanDerWaalsContact CA-O 3.29Å; F385-L449 WeakPolarHBondContact CA-O 3.35Å; F385-K450 HydrophobicContact CD1-CB 3.82Å; F385-K450 HydrophobicContact CD1-CD 4.37Å; F385-K450 HydrophobicContact CD1-CG 4.25Å; F385-K450 HydrophobicContact CE1-CB 3.79Å; F385-K450 HydrophobicContact CE1-CD 3.51Å; F385-K450 HydrophobicContact CE1-CG 3.85Å; F385-K450 HydrophobicContact CZ-CD 3.89Å; F385-K450 HydrophobicContact CZ-CG 4.4Å
386	A	94.2	Very high	89.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.7	169.8	0	0	0	0	0	108.4	I373 Y375 L388 L399 T448 L449 L451	I373-A386 HydrophobicContact CG2-CB 4.18Å; Y375-A386 HydrophobicContact CD1-CB 3.88Å; Y375-A386 HydrophobicContact CE1-CB 3.53Å; A386-L388 WeakPolarHBondContact O-CD1 3.33Å; A386-L399 HydrophobicContact CB-CD1 3.97Å; A386-L399 HydrophobicContact CB-CD2 4.25Å; A386-T448 CarbonylContact O-C 3.12Å; A386-T448 WeakPolarHBondContact O-CA 3.24Å; A386-L449 HydrophobicContact CB-CB 4.27Å; A386-L449 PolarHBondContact N-O 3.31Å; A386-L449 PolarHBondContact O-N 3.5Å; A386-L451 HydrophobicContact CB-CD1 4.09Å
387	L	94.7	Very high	89.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.2	-179.8	-61.8	105.2	0	0	0	109.3	V313 W348 A355 I356 I373 W374 T376 F385 W447 T448	V313-L387 HydrophobicContact CG1-CB 3.62Å; V313-L387 HydrophobicContact CG1-CD1 4.29Å; V313-L387 HydrophobicContact CG1-CD2 4.08Å; V313-L387 HydrophobicContact CG1-CG 4.21Å; V313-L387 HydrophobicContact CG2-CB 4.47Å; V313-L387 HydrophobicContact CG2-CD2 3.79Å; W348-L387 HydrophobicContact CH2-CD2 4.03Å; W348-L387 HydrophobicContact CZ2-CD2 4.22Å; A355-L387 HydrophobicContact CB-CD2 4.29Å; I356-L387 HydrophobicContact CD1-CD2 3.91Å; I373-L387 VanDerWaalsContact CA-O 3.31Å; I373-L387 WeakPolarHBondContact CA-O 3.41Å; W374-L387 PolarHBondContact N-O 3.17Å; W374-L387 PolarHBondContact O-N 3.11Å; T376-L387 HydrophobicContact CG2-CD1 3.89Å; F385-L387 HydrophobicContact CB-CD1 4.45Å; L387-W447 CarbonylContact C-O 3.5Å; L387-W447 WeakPolarHBondContact CA-O 3.42Å; L387-T448 HydrophobicContact CG-CG2 4.37Å
388	L	93.6	Very high	89.4	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118	177.8	-65.8	75	0	0	0	108.6	I373 A386 E390 P392 V397 L433 A446 W447 L449	I373-L388 HydrophobicContact CD1-CG 4.12Å; I373-L388 HydrophobicContact CG1-CG 4.22Å; A386-L388 WeakPolarHBondContact O-CD1 3.33Å; L388-E390 VanDerWaalsContact C-N 3.32Å; L388-P392 HydrophobicContact CD2-CG 4.25Å; L388-V397 HydrophobicContact CD2-CB 4.15Å; L388-V397 HydrophobicContact CD2-CG1 4.18Å; L388-V397 HydrophobicContact CD2-CG2 3.99Å; L388-L433 HydrophobicContact CD2-CD1 4.5Å; L388-A446 CarbonylContact O-C 3.47Å; L388-A446 WeakPolarHBondContact O-CA 3.43Å; L388-A446 WeakPolarHBondContact O-CB 3.45Å; L388-W447 PolarHBondContact N-O 2.9Å; L388-W447 PolarHBondContact O-N 3Å; L388-L449 HydrophobicContact CD1-CD1 3.89Å; L388-L449 HydrophobicContact CD1-CG 3.73Å
389	L	92.4	Very high	89.3	Confident	24 Å²	24	53.5 Å²	53.5	13%	0.126	27%	0.274	C	S	.	.	S	Bend	trans	-85.5	-8.5	177.5	-53.8	175	0	0	0	113.1	A310 V313 N372 W445 A446	A310-L389 HydrophobicContact CB-CD1 3.77Å; A310-L389 HydrophobicContact CB-CD2 4.21Å; V313-L389 HydrophobicContact CB-CD2 3.98Å; V313-L389 HydrophobicContact CG1-CD2 4.05Å; V313-L389 HydrophobicContact CG2-CD2 4.02Å; N372-L389 HydrophobicContact CB-CB 4.09Å; N372-L389 HydrophobicContact CB-CD1 4.39Å; N372-L389 WeakPolarHBondContact O-CG 3.27Å; N372-L389 PolarHBondContact O-N 3.12Å; L389-W445 VanDerWaalsContact O-O 3.07Å; L389-A446 HydrophobicContact CD2-CB 3.95Å
390	E	89.6	Confident	89.3	Confident	125 Å²	125	52.3 Å²	52.3	58%	0.584	26%	0.264	S	S	*	.	S	Bend	trans	-136.6	142.2	176.6	-70.4	173.5	168.2	0	0	108.8	N372 L388	N372-E390 PolarHBondContact ND2-OE1 3.21Å; N372-E390 PolarHBondContact ND2-OE2 3.23Å; L388-E390 VanDerWaalsContact C-N 3.32Å
391	W	87.9	Confident	89.2	Confident	64 Å²	64	47.2 Å²	47.2	24%	0.242	24%	0.24	C	C	.	.			trans	-83.2	124.5	175.1	-169.5	-90.9	0	0	0	108.8	L413 L433 L436 M441 W447	W391-L413 HydrophobicContact CH2-CD2 4.1Å; W391-L413 HydrophobicContact CZ3-CD2 4.42Å; W391-L433 HydrophobicContact CD2-CD1 4.39Å; W391-L433 HydrophobicContact CH2-CB 4.25Å; W391-L433 HydrophobicContact CH2-CD1 4.33Å; W391-L433 HydrophobicContact CH2-CD2 4.44Å; W391-L433 HydrophobicContact CZ2-CB 3.83Å; W391-L433 HydrophobicContact CZ2-CD1 4.12Å; W391-L433 HydrophobicContact CZ2-CG 4.47Å; W391-L436 HydrophobicContact CH2-CD1 4.02Å; W391-L436 HydrophobicContact CZ2-CD1 4.44Å; W391-M441 HydrophobicContact CD2-CE 4.14Å; W391-M441 HydrophobicContact CE3-CE 4.03Å; W391-M441 HydrophobicContact CZ3-CE 4.32Å; W391-W447 HydrophobicContact CB-CE3 4.1Å; W391-W447 HydrophobicContact CB-CH2 3.66Å; W391-W447 HydrophobicContact CB-CZ2 4.16Å; W391-W447 HydrophobicContact CB-CZ3 3.65Å; W391-W447 HydrophobicContact CD2-CD2 4.46Å; W391-W447 HydrophobicContact CE3-CB 4.27Å; W391-W447 AromaticContact CE3-CD1 3.82Å; W391-W447 AromaticContact CE3-CD2 3.42Å; W391-W447 HydrophobicContact CE3-CD2 3.42Å; W391-W447 VanDerWaalsContact CE3-CD2 3.42Å; W391-W447 AromaticContact CE3-CE2 3.62Å; W391-W447 AromaticContact CE3-CE3 3.91Å; W391-W447 HydrophobicContact CE3-CE3 3.91Å; W391-W447 AromaticContact CE3-CG 3.56Å; W391-W447 HydrophobicContact CE3-CG 3.56Å; W391-W447 HydrophobicContact CE3-CZ2 4.25Å; W391-W447 AromaticContact CE3-NE1 3.87Å; W391-W447 HydrophobicContact CZ3-CB 4.14Å; W391-W447 AromaticContact CZ3-CD1 3.62Å; W391-W447 HydrophobicContact CZ3-CD2 4.01Å; W391-W447 AromaticContact CZ3-CG 3.62Å; W391-W447 HydrophobicContact CZ3-CG 3.62Å; W391-W447 AromaticContact CZ3-NE1 3.98Å
392	P	86.4	Confident	89.1	Confident	22 Å²	22	43.1 Å²	43.1	14%	0.143	22%	0.221	C	C	.	.			trans	-66.2	132.2	-179.7	-15.3	26.9	0	0	0	112.5	L388 D394 S396 V397 L433	L388-P392 HydrophobicContact CD2-CG 4.25Å; P392-D394 VanDerWaalsContact C-N 3.32Å; P392-D394 WeakPolarHBondContact CB-OD1 3.32Å; P392-S396 VanDerWaalsContact CB-O 3.29Å; P392-S396 WeakPolarHBondContact CB-O 3.4Å; P392-V397 HydrophobicContact CG-CB 4.14Å; P392-L433 HydrophobicContact CB-CD1 4.4Å; P392-L433 VanDerWaalsContact CD-CD1 3.41Å; P392-L433 HydrophobicContact CG-CD1 3.57Å
393	D	83.4	Confident	88.9	Confident	172 Å²	172	38.5 Å²	38.5	92%	0.92	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.1	178.4	-69.5	-34	0	0	0	112.8	G395	D393-G395 PolarHBondContact O-N 2.91Å
394	D	82.7	Confident	88.4	Confident	125 Å²	125	39.4 Å²	39.4	67%	0.668	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	1.1	-179	53.7	-29	0	0	0	113.3	P392 S396	P392-D394 VanDerWaalsContact C-N 3.32Å; P392-D394 WeakPolarHBondContact CB-OD1 3.32Å; D394-S396 PolarHBondContact O-N 2.83Å
395	G	84.8	Confident	87.7	Confident	29 Å²	29	42.6 Å²	42.6	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	68.8	12.7	175	0	0	0	0	0	114	D393 L433	D393-G395 PolarHBondContact O-N 2.91Å; G395-L433 PolarHBondContact O-N 3.33Å
396	S	89.4	Confident	86.5	Confident	10 Å²	10	49.8 Å²	49.8	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.3	175.1	77	0	0	0	0	111.3	P392 D394 Q430 V431	P392-S396 VanDerWaalsContact CB-O 3.29Å; P392-S396 WeakPolarHBondContact CB-O 3.4Å; D394-S396 PolarHBondContact O-N 2.83Å; S396-Q430 PolarHBondContact OG-NE2 2.82Å; S396-V431 CarbonylContact C-O 3.54Å; S396-V431 WeakPolarHBondContact CA-O 3.45Å; S396-V431 WeakPolarHBondContact CB-O 3.33Å
397	V	91.1	Very high	85.6	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.9	175.6	62.8	0	0	0	0	110.3	T370 I373 L388 P392 L399 Q430 V431 L449	T370-V397 HydrophobicContact CG2-CG2 4.23Å; I373-V397 HydrophobicContact CD1-CG2 3.31Å; L388-V397 HydrophobicContact CD2-CB 4.15Å; L388-V397 HydrophobicContact CD2-CG1 4.18Å; L388-V397 HydrophobicContact CD2-CG2 3.99Å; P392-V397 HydrophobicContact CG-CB 4.14Å; V397-L399 HydrophobicContact CG2-CD2 4.07Å; V397-Q430 CarbonylContact O-C 3.39Å; V397-Q430 WeakPolarHBondContact O-CA 3.48Å; V397-V431 HydrophobicContact CG1-CB 3.79Å; V397-V431 HydrophobicContact CG1-CG2 4.42Å; V397-V431 PolarHBondContact N-O 3.28Å; V397-V431 PolarHBondContact O-N 3.06Å; V397-L449 HydrophobicContact CG1-CD1 3.73Å
398	I	89.6	Confident	85	Confident	58 Å²	58	65.9 Å²	65.9	30%	0.297	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	177.1	-64.1	172.6	0	0	0	108.9	T370 N400 L424 Q430	T370-I398 PolarHBondContact OG1-O 3.28Å; I398-N400 WeakPolarHBondContact CG2-OD1 3.34Å; I398-L424 HydrophobicContact CB-CD1 4.48Å; I398-L424 HydrophobicContact CG1-CD1 4.37Å; I398-L424 HydrophobicContact CG2-CD1 3.58Å; I398-Q430 HydrophobicContact CG1-CG 4.26Å
399	L	89.5	Confident	84.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.2	176.1	-54.5	177.8	0	0	0	107.8	E367 I373 Y375 A386 V397 P402 G428 L429 V431 L449 L451	E367-L399 WeakPolarHBondContact OE2-CA 3.4Å; I373-L399 HydrophobicContact CD1-CD2 3.65Å; I373-L399 HydrophobicContact CG2-CD2 4.01Å; Y375-L399 WeakPolarHBondContact OH-CD2 3.4Å; A386-L399 HydrophobicContact CB-CD1 3.97Å; A386-L399 HydrophobicContact CB-CD2 4.25Å; V397-L399 HydrophobicContact CG2-CD2 4.07Å; L399-P402 HydrophobicContact CB-CG 4.1Å; L399-G428 CarbonylContact O-C 3.38Å; L399-G428 WeakPolarHBondContact O-CA 3.33Å; L399-L429 HydrophobicContact CB-CD2 3.72Å; L399-L429 HydrophobicContact CB-CG 4.31Å; L399-L429 HydrophobicContact CD1-CD2 4.07Å; L399-L429 HydrophobicContact CD1-CG 4.42Å; L399-L429 HydrophobicContact CG-CD2 4.43Å; L399-L429 PolarHBondContact N-O 3.17Å; L399-L429 PolarHBondContact O-N 2.63Å; L399-V431 HydrophobicContact CD1-CG2 4.37Å; L399-L449 HydrophobicContact CD1-CD1 4.29Å; L399-L451 HydrophobicContact CD1-CD1 4.41Å; L399-L451 HydrophobicContact CD1-CD2 4.31Å
400	N	86.7	Confident	84.5	Confident	50 Å²	50	71.5 Å²	71.5	27%	0.267	36%	0.363	S	S	.	.			trans	-95.1	-25.2	-175.3	-84.6	-0.8	0	0	0	113.4	E367 V369 I398 S427	E367-N400 PolarHBondContact OE1-N 2.93Å; E367-N400 PolarHBondContact OE2-N 3.47Å; V369-N400 HydrophobicContact CG2-CB 4.44Å; V369-N400 WeakPolarHBondContact CG2-ND2 3.42Å; I398-N400 WeakPolarHBondContact CG2-OD1 3.34Å; N400-S427 PolarHBondContact O-OG 3.27Å
401	E	84.1	Confident	84.7	Confident	45 Å²	45	65.7 Å²	65.7	21%	0.21	34%	0.337	C	S	.	.	S	Bend	trans	-68.6	-39.1	-179.1	-64.6	-62.1	145.3	0	0	114.1	W362 R363 A364 E367 N368 Y375	W362-E401 HydrophobicContact CH2-CB 3.92Å; W362-E401 HydrophobicContact CZ3-CB 3.7Å; R363-E401 PolarHBondContact NH2-O 2.75Å; A364-E401 HydrophobicContact CB-CB 4.24Å; A364-E401 HydrophobicContact CB-CG 3.88Å; A364-E401 WeakPolarHBondContact CB-OE2 3.34Å; E367-E401 PolarHBondContact OE2-N 2.79Å; N368-E401 PolarHBondContact ND2-OE1 2.89Å; Y375-E401 HydrophobicContact CE2-CB 4Å; Y375-E401 HydrophobicContact CE2-CG 4.05Å
402	P	83.9	Confident	85	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.			trans	-72.2	134.3	-178.6	-19.5	34	0	0	0	112.6	W362 Y375 L399 V404 G428 L429 L451	W362-P402 HydrophobicContact CH2-CB 4.27Å; W362-P402 HydrophobicContact CH2-CG 4.06Å; W362-P402 HydrophobicContact CZ3-CG 4.48Å; Y375-P402 HydrophobicContact CE1-CG 4.18Å; L399-P402 HydrophobicContact CB-CG 4.1Å; P402-V404 HydrophobicContact CB-CG1 4.4Å; P402-G428 VanDerWaalsContact O-CA 3.32Å; P402-G428 WeakPolarHBondContact O-CA 3.21Å; P402-G428 PolarHBondContact O-N 3.45Å; P402-L429 HydrophobicContact CB-CD2 3.86Å; P402-L429 HydrophobicContact CG-CD2 3.97Å; P402-L451 HydrophobicContact CB-CD2 4.17Å; P402-L451 HydrophobicContact CG-CD2 4.25Å
403	V	81.9	Confident	85.3	Confident	69 Å²	69	65 Å²	65	42%	0.418	33%	0.334	S	S	.	.			trans	-95.3	117.5	170.9	-179.9	0	0	0	0	108.2	A454 S455	V403-A454 WeakPolarHBondContact O-CA 3.5Å; V403-S455 PolarHBondContact N-O 3.43Å; V403-S455 PolarHBondContact O-N 3.16Å
404	V	82.8	Confident	85.7	Confident	22 Å²	22	57.4 Å²	57.4	13%	0.133	29%	0.294	C	S	.	.			trans	-112.7	148	-171.5	-62.3	0	0	0	0	112	P402 T409 W421 A423 G428 L429 A454	P402-V404 HydrophobicContact CB-CG1 4.4Å; V404-T409 WeakPolarHBondContact CA-OG1 3.04Å; V404-T409 HydrophobicContact CB-CG2 4.15Å; V404-T409 HydrophobicContact CG1-CG2 3.85Å; V404-W421 HydrophobicContact CB-CH2 3.89Å; V404-W421 HydrophobicContact CB-CZ3 3.89Å; V404-W421 HydrophobicContact CG2-CE3 4.4Å; V404-W421 HydrophobicContact CG2-CH2 3.94Å; V404-W421 HydrophobicContact CG2-CZ3 3.5Å; V404-W421 VanDerWaalsContact CG2-CZ3 3.5Å; V404-A423 HydrophobicContact CG2-CB 4.1Å; V404-G428 WeakPolarHBondContact CG2-O 3.32Å; V404-L429 HydrophobicContact CG1-CB 4.24Å; V404-L429 HydrophobicContact CG1-CD1 4.29Å; V404-L429 HydrophobicContact CG1-CD2 3.73Å; V404-L429 HydrophobicContact CG1-CG 4.31Å; V404-L429 HydrophobicContact CG2-CB 4.22Å; V404-A454 HydrophobicContact CG1-CB 4.19Å
405	T	78.1	Confident	85.9	Confident	72 Å²	72	54.4 Å²	54.4	44%	0.442	29%	0.292	S	S	.	.			trans	-124.2	119.2	174.7	-62.8	0	0	0	0	108.9	K407 Q408 T409	T405-K407 PolarHBondContact O-N 2.98Å; T405-Q408 HydrophobicContact CG2-CB 4.41Å; T405-Q408 HydrophobicContact CG2-CG 4.32Å; T405-Q408 PolarHBondContact O-N 2.91Å; T405-T409 PolarHBondContact N-OG1 2.99Å; T405-T409 PolarHBondContact O-N 3.41Å; T405-T409 PolarHBondContact O-OG1 3.13Å
406	Q	70.3	Confident	86.1	Confident	152 Å²	152	57.6 Å²	57.6	71%	0.71	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-13.8	-171.5	-88.9	178.6	-27	0	0	116.5	W421	Q406-W421 HydrophobicContact CG-CH2 4.18Å
407	K	74.9	Confident	86.1	Confident	202 Å²	202	57.9 Å²	57.9	88%	0.878	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-4.1	178.4	-64.7	-171.5	179.2	-177.4	0	114.7	T405	T405-K407 PolarHBondContact O-N 2.98Å
408	Q	81.1	Confident	86.2	Confident	135 Å²	135	63.2 Å²	63.2	63%	0.631	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-30.5	-176.3	-67.2	-178.5	-19.6	0	0	112	T405	T405-Q408 HydrophobicContact CG2-CB 4.41Å; T405-Q408 HydrophobicContact CG2-CG 4.32Å; T405-Q408 PolarHBondContact O-N 2.91Å
409	T	87.1	Confident	86.3	Confident	8 Å²	8	61.2 Å²	61.2	5%	0.049	33%	0.328	C	S	.	.			trans	-82	127.2	-177.8	-52	0	0	0	0	111.3	V404 T405 V411 W421 T452 G453 A454	V404-T409 WeakPolarHBondContact CA-OG1 3.04Å; V404-T409 HydrophobicContact CB-CG2 4.15Å; V404-T409 HydrophobicContact CG1-CG2 3.85Å; T405-T409 PolarHBondContact N-OG1 2.99Å; T405-T409 PolarHBondContact O-N 3.41Å; T405-T409 PolarHBondContact O-OG1 3.13Å; T409-V411 HydrophobicContact CG2-CG2 4.3Å; T409-W421 HydrophobicContact CG2-CZ2 4.14Å; T409-W421 WeakPolarHBondContact O-CZ2 3.35Å; T409-T452 VanDerWaalsContact CA-O 3.28Å; T409-T452 WeakPolarHBondContact CA-O 3.46Å; T409-G453 PolarHBondContact OG1-O 2.89Å; T409-A454 HydrophobicContact CG2-CB 3.93Å
410	Q	90.1	Very high	86.4	Confident	137 Å²	137	68.5 Å²	68.5	64%	0.64	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.2	168	-58	179.7	1	0	0	108.6	L451 T452	Q410-L451 WeakPolarHBondContact O-CA 3.17Å; Q410-T452 PolarHBondContact N-O 2.89Å; Q410-T452 PolarHBondContact O-N 3.36Å
411	V	92.6	Very high	86.7	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.9	178.7	-176	0	0	0	0	107.9	T409 L419 W421 L429 V431 K450 L451	T409-V411 HydrophobicContact CG2-CG2 4.3Å; V411-L419 HydrophobicContact CG1-CB 4.47Å; V411-L419 PolarHBondContact O-N 2.91Å; V411-W421 HydrophobicContact CB-CG 4.44Å; V411-W421 HydrophobicContact CG2-CB 4.38Å; V411-W421 VanDerWaalsContact CG2-CD1 3.49Å; V411-W421 HydrophobicContact CG2-CD2 4.32Å; V411-W421 HydrophobicContact CG2-CG 3.81Å; V411-L429 HydrophobicContact CG2-CD1 3.61Å; V411-V431 HydrophobicContact CG1-CG1 3.91Å; V411-V431 HydrophobicContact CG1-CG2 3.99Å; V411-K450 WeakPolarHBondContact CA-O 3.26Å; V411-L451 HydrophobicContact CG2-CD2 4.32Å; V411-L451 HydrophobicContact CG2-CG 4.27Å
412	E	93.9	Very high	87	Confident	68 Å²	68	69.4 Å²	69.4	32%	0.318	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.1	177.7	66.8	-175.7	177.5	0	0	111.4	G417 L449 K450	E412-G417 WeakPolarHBondContact CA-O 3.26Å; E412-L449 CarbonylContact O-C 3.53Å; E412-L449 WeakPolarHBondContact O-CA 3.2Å; E412-K450 HydrophobicContact CG-CB 3.68Å; E412-K450 HydrophobicContact CG-CD 4.45Å; E412-K450 HydrophobicContact CG-CG 4.07Å; E412-K450 PolarHBondContact N-O 3.38Å; E412-K450 PolarHBondContact O-N 3.09Å; E412-K450 WeakPolarHBondContact OE1-CD 3.32Å; E412-K450 WeakPolarHBondContact OE1-CE 3.42Å; E412-K450 WeakPolarHBondContact OE1-CG 3.23Å; E412-K450 IonicContact OE1-NZ 3.42Å; E412-K450 PolarHBondContact OE1-NZ 3.34Å
413	L	93.1	Very high	87.2	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.4	167.7	179.3	63.2	0	0	0	108.2	W391 G415 H416 G417 L419 L436 P442 W447 L449	W391-L413 HydrophobicContact CH2-CD2 4.1Å; W391-L413 HydrophobicContact CZ3-CD2 4.42Å; L413-G415 PolarHBondContact O-N 3.02Å; L413-H416 HydrophobicContact CB-CB 4.16Å; L413-H416 HydrophobicContact CD2-CB 3.81Å; L413-H416 HydrophobicContact CG-CB 4.01Å; L413-H416 PolarHBondContact O-N 2.82Å; L413-G417 PolarHBondContact N-O 2.79Å; L413-G417 PolarHBondContact O-N 3.47Å; L413-L419 HydrophobicContact CB-CD1 4.02Å; L413-L419 HydrophobicContact CB-CD2 4.26Å; L413-L419 HydrophobicContact CB-CG 4.14Å; L413-L436 HydrophobicContact CD2-CD1 4.09Å; L413-P442 HydrophobicContact CD2-CG 4.21Å; L413-P442 HydrophobicContact CG-CG 4.38Å; L413-W447 HydrophobicContact CD1-CB 4.24Å; L413-L449 HydrophobicContact CB-CD2 4.31Å; L413-L449 HydrophobicContact CD1-CD2 3.94Å
414	V	91.8	Very high	87.4	Confident	13 Å²	13	69.9 Å²	69.9	8%	0.079	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	128.2	-179.3	-179.6	0	0	0	0	109.6	V351 H416 T448 K450	V351-V414 WeakPolarHBondContact O-CG1 3.32Å; V414-H416 VanDerWaalsContact C-N 3.35Å; V414-T448 HydrophobicContact CG2-CG2 3.78Å; V414-T448 PolarHBondContact N-O 3.29Å; V414-K450 HydrophobicContact CG2-CB 4.02Å
415	G	87.9	Confident	87	Confident	62 Å²	62	77.1 Å²	77.1	64%	0.639	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-1.3	-176.1	0	0	0	0	0	115.6	L413	L413-G415 PolarHBondContact O-N 3.02Å
416	H	88.8	Confident	86.8	Confident	97 Å²	97	79.8 Å²	79.8	45%	0.449	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-61.8	176.1	-178.2	-85.5	0	0	0	112.8	L413 V414	L413-H416 HydrophobicContact CB-CB 4.16Å; L413-H416 HydrophobicContact CD2-CB 3.81Å; L413-H416 HydrophobicContact CG-CB 4.01Å; L413-H416 PolarHBondContact O-N 2.82Å; V414-H416 VanDerWaalsContact C-N 3.35Å
417	G	89.7	Confident	87.2	Confident	15 Å²	15	75 Å²	75	16%	0.155	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.1	-168.9	-178.6	0	0	0	0	0	114.9	E412 L413	E412-G417 WeakPolarHBondContact CA-O 3.26Å; L413-G417 PolarHBondContact N-O 2.79Å; L413-G417 PolarHBondContact O-N 3.47Å
418	P	92.3	Very high	87.6	Confident	116 Å²	116	65.4 Å²	65.4	75%	0.753	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	145.6	-172.1	27.6	-35.2	0	0	0	112.7
419	L	92.4	Very high	88.1	Confident	17 Å²	17	59 Å²	59	9%	0.089	34%	0.335	C	S	.	.			trans	-117.5	155.6	-179.3	-63.1	-172	0	0	0	112.5	V411 L413 V431 L433 P434 L449	V411-L419 HydrophobicContact CG1-CB 4.47Å; V411-L419 PolarHBondContact O-N 2.91Å; L413-L419 HydrophobicContact CB-CD1 4.02Å; L413-L419 HydrophobicContact CB-CD2 4.26Å; L413-L419 HydrophobicContact CB-CG 4.14Å; L419-V431 HydrophobicContact CB-CG1 3.97Å; L419-V431 HydrophobicContact CD1-CG1 3.53Å; L419-V431 HydrophobicContact CG-CG1 4.45Å; L419-L433 HydrophobicContact CD1-CD2 3.9Å; L419-P434 HydrophobicContact CD2-CG 4.1Å; L419-L449 HydrophobicContact CD1-CD2 3.56Å
420	Q	91.4	Very high	88.3	Confident	153 Å²	153	61 Å²	61	72%	0.715	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	141	170.4	-62	-60.8	-40	0	0	109.8	F432	Q420-F432 HydrophobicContact CB-CD2 4.32Å; Q420-F432 PolarHBondContact O-N 3.04Å
421	W	92.7	Very high	88.3	Confident	45 Å²	45	54.5 Å²	54.5	17%	0.17	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.7	179	66.3	-87.8	0	0	0	111.6	V404 Q406 T409 V411 A423 L429 Q430 V431	V404-W421 HydrophobicContact CB-CH2 3.89Å; V404-W421 HydrophobicContact CB-CZ3 3.89Å; V404-W421 HydrophobicContact CG2-CE3 4.4Å; V404-W421 HydrophobicContact CG2-CH2 3.94Å; V404-W421 HydrophobicContact CG2-CZ3 3.5Å; V404-W421 VanDerWaalsContact CG2-CZ3 3.5Å; Q406-W421 HydrophobicContact CG-CH2 4.18Å; T409-W421 HydrophobicContact CG2-CZ2 4.14Å; T409-W421 WeakPolarHBondContact O-CZ2 3.35Å; V411-W421 HydrophobicContact CB-CG 4.44Å; V411-W421 HydrophobicContact CG2-CB 4.38Å; V411-W421 VanDerWaalsContact CG2-CD1 3.49Å; V411-W421 HydrophobicContact CG2-CD2 4.32Å; V411-W421 HydrophobicContact CG2-CG 3.81Å; W421-A423 HydrophobicContact CZ3-CB 3.98Å; W421-L429 HydrophobicContact CB-CD1 4.13Å; W421-L429 HydrophobicContact CD2-CD1 4.2Å; W421-L429 HydrophobicContact CE3-CB 3.85Å; W421-L429 HydrophobicContact CE3-CD1 4.16Å; W421-L429 HydrophobicContact CG-CD1 4.21Å; W421-L429 HydrophobicContact CZ3-CB 4.39Å; W421-Q430 CarbonylContact C-O 3.48Å; W421-Q430 WeakPolarHBondContact CA-O 3.49Å; W421-Q430 WeakPolarHBondContact CB-O 3.12Å; W421-V431 HydrophobicContact CB-CG2 4.15Å
422	T	90.2	Very high	88.2	Confident	69 Å²	69	58.5 Å²	58.5	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.1	176.9	-58.6	0	0	0	0	109.6	L429 Q430	T422-L429 CarbonylContact O-C 3.56Å; T422-L429 VanDerWaalsContact O-CA 3.3Å; T422-L429 WeakPolarHBondContact O-CA 3.35Å; T422-Q430 PolarHBondContact N-O 2.87Å; T422-Q430 PolarHBondContact O-N 3.33Å
423	A	88.1	Confident	88.1	Confident	31 Å²	31	56 Å²	56	26%	0.256	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.4	175.2	0	0	0	0	0	110.9	V404 W421	V404-A423 HydrophobicContact CG2-CB 4.1Å; W421-A423 HydrophobicContact CZ3-CB 3.98Å
424	L	85.4	Confident	87.7	Confident	48 Å²	48	57.3 Å²	57.3	25%	0.251	33%	0.328	S	S	.	.			trans	-98.5	154.8	173.1	-64.6	174.2	0	0	0	110.5	I398 G428 Q430	I398-L424 HydrophobicContact CB-CD1 4.48Å; I398-L424 HydrophobicContact CG1-CD1 4.37Å; I398-L424 HydrophobicContact CG2-CD1 3.58Å; L424-G428 PolarHBondContact N-O 3.49Å; L424-Q430 HydrophobicContact CD1-CB 4.29Å; L424-Q430 HydrophobicContact CD2-CB 4.33Å; L424-Q430 HydrophobicContact CG-CB 4.35Å
425	Q	74.8	Confident	87.4	Confident	174 Å²	174	63.1 Å²	63.1	81%	0.813	37%	0.366	S	S	*	.	S	Bend	trans	-107.3	135.4	175.8	-67.4	-66.7	-35.6	0	0	109.2
426	P	73.4	Confident	87.2	Confident	127 Å²	127	61.8 Å²	61.8	83%	0.825	34%	0.344	S	S	*	.	S	Bend	cis	-85.2	-16.7	5	32.4	-34.7	0	0	0	115.4
427	S	79.4	Confident	86.8	Confident	52 Å²	52	59.9 Å²	59.9	36%	0.364	34%	0.341	S	S	.	.	S	Bend	trans	-149.9	161.6	174.7	64.7	0	0	0	0	110.5	N400	N400-S427 PolarHBondContact O-OG 3.27Å
428	G	84.4	Confident	86.3	Confident	1 Å²	1	67 Å²	67	1%	0.01	37%	0.369	C	S	.	.			trans	105.7	-178.4	178.4	0	0	0	0	0	115.1	L399 P402 V404 L424	L399-G428 CarbonylContact O-C 3.38Å; L399-G428 WeakPolarHBondContact O-CA 3.33Å; P402-G428 VanDerWaalsContact O-CA 3.32Å; P402-G428 WeakPolarHBondContact O-CA 3.21Å; P402-G428 PolarHBondContact O-N 3.45Å; V404-G428 WeakPolarHBondContact CG2-O 3.32Å; L424-G428 PolarHBondContact N-O 3.49Å
429	L	90.6	Very high	85.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.6	177.2	69.8	160	0	0	0	111.6	L399 P402 V404 V411 W421 T422 V431 L451	L399-L429 HydrophobicContact CB-CD2 3.72Å; L399-L429 HydrophobicContact CB-CG 4.31Å; L399-L429 HydrophobicContact CD1-CD2 4.07Å; L399-L429 HydrophobicContact CD1-CG 4.42Å; L399-L429 HydrophobicContact CG-CD2 4.43Å; L399-L429 PolarHBondContact N-O 3.17Å; L399-L429 PolarHBondContact O-N 2.63Å; P402-L429 HydrophobicContact CB-CD2 3.86Å; P402-L429 HydrophobicContact CG-CD2 3.97Å; V404-L429 HydrophobicContact CG1-CB 4.24Å; V404-L429 HydrophobicContact CG1-CD1 4.29Å; V404-L429 HydrophobicContact CG1-CD2 3.73Å; V404-L429 HydrophobicContact CG1-CG 4.31Å; V404-L429 HydrophobicContact CG2-CB 4.22Å; V411-L429 HydrophobicContact CG2-CD1 3.61Å; W421-L429 HydrophobicContact CB-CD1 4.13Å; W421-L429 HydrophobicContact CD2-CD1 4.2Å; W421-L429 HydrophobicContact CE3-CB 3.85Å; W421-L429 HydrophobicContact CE3-CD1 4.16Å; W421-L429 HydrophobicContact CG-CD1 4.21Å; W421-L429 HydrophobicContact CZ3-CB 4.39Å; T422-L429 CarbonylContact O-C 3.56Å; T422-L429 VanDerWaalsContact O-CA 3.3Å; T422-L429 WeakPolarHBondContact O-CA 3.35Å; L429-V431 HydrophobicContact CD1-CG2 3.41Å; L429-V431 VanDerWaalsContact CD1-CG2 3.41Å; L429-V431 HydrophobicContact CG-CG2 3.91Å; L429-L451 HydrophobicContact CD1-CD2 3.89Å; L429-L451 HydrophobicContact CD2-CD2 3.76Å; L429-L451 HydrophobicContact CG-CD2 4.5Å
430	Q	90.9	Very high	85.3	Confident	51 Å²	51	72.6 Å²	72.6	24%	0.238	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.8	163.9	-175	176.5	10.7	0	0	108.5	S396 V397 I398 W421 T422 L424 F432	S396-Q430 PolarHBondContact OG-NE2 2.82Å; V397-Q430 CarbonylContact O-C 3.39Å; V397-Q430 WeakPolarHBondContact O-CA 3.48Å; I398-Q430 HydrophobicContact CG1-CG 4.26Å; W421-Q430 CarbonylContact C-O 3.48Å; W421-Q430 WeakPolarHBondContact CA-O 3.49Å; W421-Q430 WeakPolarHBondContact CB-O 3.12Å; T422-Q430 PolarHBondContact N-O 2.87Å; T422-Q430 PolarHBondContact O-N 3.33Å; L424-Q430 HydrophobicContact CD1-CB 4.29Å; L424-Q430 HydrophobicContact CD2-CB 4.33Å; L424-Q430 HydrophobicContact CG-CB 4.35Å; Q430-F432 HydrophobicContact CG-CZ 4.45Å
431	V	90.8	Very high	85	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.7	178.8	-176.2	0	0	0	0	108.9	S396 V397 L399 V411 L419 W421 L429 L449	S396-V431 CarbonylContact C-O 3.54Å; S396-V431 WeakPolarHBondContact CA-O 3.45Å; S396-V431 WeakPolarHBondContact CB-O 3.33Å; V397-V431 HydrophobicContact CG1-CB 3.79Å; V397-V431 HydrophobicContact CG1-CG2 4.42Å; V397-V431 PolarHBondContact N-O 3.28Å; V397-V431 PolarHBondContact O-N 3.06Å; L399-V431 HydrophobicContact CD1-CG2 4.37Å; V411-V431 HydrophobicContact CG1-CG1 3.91Å; V411-V431 HydrophobicContact CG1-CG2 3.99Å; L419-V431 HydrophobicContact CB-CG1 3.97Å; L419-V431 HydrophobicContact CD1-CG1 3.53Å; L419-V431 HydrophobicContact CG-CG1 4.45Å; W421-V431 HydrophobicContact CB-CG2 4.15Å; L429-V431 HydrophobicContact CD1-CG2 3.41Å; L429-V431 VanDerWaalsContact CD1-CG2 3.41Å; L429-V431 HydrophobicContact CG-CG2 3.91Å; V431-L449 HydrophobicContact CB-CD1 4.26Å; V431-L449 HydrophobicContact CG1-CD1 4.14Å; V431-L449 HydrophobicContact CG2-CD1 4.23Å
432	F	91.2	Very high	84.5	Confident	88 Å²	88	66.5 Å²	66.5	39%	0.386	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.5	176.7	-60.9	-77.7	0	0	0	109.9	Q420 Q430	Q420-F432 HydrophobicContact CB-CD2 4.32Å; Q420-F432 PolarHBondContact O-N 3.04Å; Q430-F432 HydrophobicContact CG-CZ 4.45Å
433	L	90.4	Very high	84.4	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.073	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-89.8	138.2	-179	-60.4	177.6	0	0	0	110	L388 W391 P392 G395 L419 L449	L388-L433 HydrophobicContact CD2-CD1 4.5Å; W391-L433 HydrophobicContact CD2-CD1 4.39Å; W391-L433 HydrophobicContact CH2-CB 4.25Å; W391-L433 HydrophobicContact CH2-CD1 4.33Å; W391-L433 HydrophobicContact CH2-CD2 4.44Å; W391-L433 HydrophobicContact CZ2-CB 3.83Å; W391-L433 HydrophobicContact CZ2-CD1 4.12Å; W391-L433 HydrophobicContact CZ2-CG 4.47Å; P392-L433 HydrophobicContact CB-CD1 4.4Å; P392-L433 VanDerWaalsContact CD-CD1 3.41Å; P392-L433 HydrophobicContact CG-CD1 3.57Å; G395-L433 PolarHBondContact O-N 3.33Å; L419-L433 HydrophobicContact CD1-CD2 3.9Å; L433-L449 HydrophobicContact CD2-CD2 4.24Å
434	P	85.9	Confident	84.4	Confident	30 Å²	30	66.4 Å²	66.4	20%	0.195	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.3	146.2	180	27.2	-30.1	0	0	0	110.5	L419 L436	L419-P434 HydrophobicContact CD2-CG 4.1Å; P434-L436 HydrophobicContact CB-CD2 4.18Å; P434-L436 HydrophobicContact CB-CG 4.31Å; P434-L436 HydrophobicContact CG-CD1 4.11Å; P434-L436 HydrophobicContact CG-CD2 4.01Å; P434-L436 HydrophobicContact CG-CG 3.92Å; P434-L436 PolarHBondContact O-N 3.28Å
435	P	83.8	Confident	84.7	Confident	136 Å²	136	65.9 Å²	65.9	88%	0.883	36%	0.355	S	S	*	.			trans	-70.9	99.6	170.3	29.1	-32.4	0	0	0	108.9
436	L	83.8	Confident	85.5	Confident	34 Å²	34	57.6 Å²	57.6	18%	0.178	32%	0.317	C	S	.	.			trans	-99.1	131.3	-178.8	-63.6	177.3	0	0	0	110.8	W391 L413 P434 K440 M441	W391-L436 HydrophobicContact CH2-CD1 4.02Å; W391-L436 HydrophobicContact CZ2-CD1 4.44Å; L413-L436 HydrophobicContact CD2-CD1 4.09Å; P434-L436 HydrophobicContact CB-CD2 4.18Å; P434-L436 HydrophobicContact CB-CG 4.31Å; P434-L436 HydrophobicContact CG-CD1 4.11Å; P434-L436 HydrophobicContact CG-CD2 4.01Å; P434-L436 HydrophobicContact CG-CG 3.92Å; P434-L436 PolarHBondContact O-N 3.28Å; L436-K440 HydrophobicContact CD2-CB 4.29Å; L436-M441 HydrophobicContact CB-CG 4.23Å; L436-M441 HydrophobicContact CB-SD 3.55Å; L436-M441 VanDerWaalsContact CB-SD 3.55Å; L436-M441 HydrophobicContact CD1-SD 3.73Å; L436-M441 HydrophobicContact CG-SD 4.27Å
437	S	82.2	Confident	86.5	Confident	56 Å²	56	52.8 Å²	52.8	39%	0.392	28%	0.282	S	S	.	.			trans	-72.9	155.5	164.9	58.9	0	0	0	0	109.9	S439 K440 M441	S437-S439 PolarHBondContact O-N 3.43Å; S437-S439 PolarHBondContact OG-OG 2.98Å; S437-K440 WeakPolarHBondContact O-CA 3.31Å; S437-K440 PolarHBondContact O-N 2.91Å; S437-K440 WeakPolarHBondContact OG-CG 3.42Å; S437-M441 PolarHBondContact O-N 3.46Å
438	F	79.3	Confident	87.2	Confident	166 Å²	166	50.3 Å²	50.3	73%	0.728	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-48.6	-40.9	179.5	-177.5	-97.5	0	0	0	113.8	K440 M441 Q444	F438-K440 VanDerWaalsContact C-N 3.26Å; F438-K440 PolarHBondContact O-N 3.38Å; F438-M441 PolarHBondContact O-N 3.12Å; F438-Q444 VanDerWaalsContact CZ-NE2 3.29Å
439	S	80.4	Confident	87.7	Confident	105 Å²	105	50.3 Å²	50.3	73%	0.734	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.2	178.1	55.5	0	0	0	0	115.4	S437	S437-S439 PolarHBondContact O-N 3.43Å; S437-S439 PolarHBondContact OG-OG 2.98Å
440	K	82.7	Confident	87.9	Confident	144 Å²	144	51.5 Å²	51.5	63%	0.626	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-104.4	-3	179.4	-65.8	-176.4	179.9	-177.7	0	112.3	L436 S437 F438	L436-K440 HydrophobicContact CD2-CB 4.29Å; S437-K440 WeakPolarHBondContact O-CA 3.31Å; S437-K440 PolarHBondContact O-N 2.91Å; S437-K440 WeakPolarHBondContact OG-CG 3.42Å; F438-K440 VanDerWaalsContact C-N 3.26Å; F438-K440 PolarHBondContact O-N 3.38Å
441	M	84.9	Confident	87.9	Confident	44 Å²	44	49.1 Å²	49.1	22%	0.217	26%	0.258	C	S	.	.			trans	-67	128.3	176.1	-73	-69.2	-90.9	0	0	109.1	W391 L436 S437 F438 C443 W447	W391-M441 HydrophobicContact CD2-CE 4.14Å; W391-M441 HydrophobicContact CE3-CE 4.03Å; W391-M441 HydrophobicContact CZ3-CE 4.32Å; L436-M441 HydrophobicContact CB-CG 4.23Å; L436-M441 HydrophobicContact CB-SD 3.55Å; L436-M441 VanDerWaalsContact CB-SD 3.55Å; L436-M441 HydrophobicContact CD1-SD 3.73Å; L436-M441 HydrophobicContact CG-SD 4.27Å; S437-M441 PolarHBondContact O-N 3.46Å; F438-M441 PolarHBondContact O-N 3.12Å; M441-C443 PolarHBondContact O-N 3.14Å; M441-W447 VanDerWaalsContact CE-CE2 3.42Å; M441-W447 HydrophobicContact CE-CZ2 3.36Å
442	P	81.7	Confident	87.9	Confident	26 Å²	26	50.9 Å²	50.9	17%	0.169	27%	0.269	C	S	.	.	S	Bend	trans	-66.9	-30.7	-177.2	26.8	-34.4	0	0	0	111.7	V351 L413	V351-P442 HydrophobicContact CG1-CB 4.27Å; V351-P442 WeakPolarHBondContact CG2-O 3.25Å; L413-P442 HydrophobicContact CD2-CG 4.21Å; L413-P442 HydrophobicContact CG-CG 4.38Å
443	C	88.3	Confident	87.5	Confident	13 Å²	13	48.3 Å²	48.3	9%	0.088	27%	0.268	C	S	.	.			trans	-158.5	173.4	178.7	53.7	0	0	0	0	110.3	V351 N352 M441 A446 W447	V351-C443 HydrophobicContact CB-CB 4.27Å; V351-C443 HydrophobicContact CG1-CB 4.28Å; V351-C443 HydrophobicContact CG2-CB 4.43Å; N352-C443 PolarHBondContact ND2-SG 3.38Å; M441-C443 PolarHBondContact O-N 3.14Å; C443-A446 PolarHBondContact SG-O 3.14Å; C443-W447 PolarHBondContact O-NE1 3.12Å; C443-W447 VanDerWaalsContact O-NE1 3.09Å
444	Q	87.5	Confident	87	Confident	86 Å²	86	48.3 Å²	48.3	40%	0.402	27%	0.27	S	S	.	.	S	Bend	trans	-111.3	166.4	175.1	-62.9	178.8	22.1	0	0	110.3	W348 F438 A446	W348-Q444 VanDerWaalsContact CD1-O 3.23Å; F438-Q444 VanDerWaalsContact CZ-NE2 3.29Å; Q444-A446 PolarHBondContact O-N 3.25Å
445	W	91.9	Very high	86.5	Confident	36 Å²	36	50.6 Å²	50.6	14%	0.136	29%	0.286	C	S	.	.	S	Bend	trans	71.4	-42.6	172.3	-39.7	-63.7	0	0	0	117	I305 E306 Q344 W348 L389	I305-W445 HydrophobicContact CG1-CD2 3.81Å; I305-W445 HydrophobicContact CG1-CE3 3.97Å; I305-W445 HydrophobicContact CG1-CG 4.32Å; I305-W445 HydrophobicContact CG1-CH2 4.37Å; I305-W445 HydrophobicContact CG1-CZ2 4.22Å; I305-W445 HydrophobicContact CG1-CZ3 4.25Å; I305-W445 HydrophobicContact CG2-CD2 3.99Å; I305-W445 VanDerWaalsContact CG2-CE2 3.48Å; I305-W445 HydrophobicContact CG2-CG 4.09Å; I305-W445 HydrophobicContact CG2-CZ2 3.99Å; E306-W445 HydrophobicContact CG-CG 4.48Å; Q344-W445 HydrophobicContact CB-CH2 3.62Å; Q344-W445 HydrophobicContact CB-CZ2 4.14Å; Q344-W445 HydrophobicContact CB-CZ3 4.18Å; Q344-W445 HydrophobicContact CG-CH2 3.78Å; Q344-W445 HydrophobicContact CG-CZ2 3.99Å; Q344-W445 VanDerWaalsContact O-CZ3 3.3Å; Q344-W445 WeakPolarHBondContact O-CZ3 3.26Å; W348-W445 HydrophobicContact CB-CE3 4.06Å; W348-W445 HydrophobicContact CB-CZ3 4.07Å; W348-W445 HydrophobicContact CG-CE3 4.49Å; L389-W445 VanDerWaalsContact O-O 3.07Å
446	A	92.5	Very high	86.6	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	26%	0.257	C	S	.	.			trans	-152.2	151	174	0	0	0	0	0	111.3	V309 W348 L388 L389 C443 Q444	V309-A446 HydrophobicContact CG1-CB 3.69Å; W348-A446 HydrophobicContact CZ2-CB 4.01Å; W348-A446 PolarHBondContact NE1-O 3.43Å; L388-A446 CarbonylContact O-C 3.47Å; L388-A446 WeakPolarHBondContact O-CA 3.43Å; L388-A446 WeakPolarHBondContact O-CB 3.45Å; L389-A446 HydrophobicContact CD2-CB 3.95Å; C443-A446 PolarHBondContact SG-O 3.14Å; Q444-A446 PolarHBondContact O-N 3.25Å
447	W	93.8	Very high	86.8	Confident	26 Å²	26	46.9 Å²	46.9	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.8	-175	-58.7	-88.5	0	0	0	111.2	L387 L388 W391 L413 M441 C443	L387-W447 CarbonylContact C-O 3.5Å; L387-W447 WeakPolarHBondContact CA-O 3.42Å; L388-W447 PolarHBondContact N-O 2.9Å; L388-W447 PolarHBondContact O-N 3Å; W391-W447 HydrophobicContact CB-CE3 4.1Å; W391-W447 HydrophobicContact CB-CH2 3.66Å; W391-W447 HydrophobicContact CB-CZ2 4.16Å; W391-W447 HydrophobicContact CB-CZ3 3.65Å; W391-W447 HydrophobicContact CD2-CD2 4.46Å; W391-W447 HydrophobicContact CE3-CB 4.27Å; W391-W447 AromaticContact CE3-CD1 3.82Å; W391-W447 AromaticContact CE3-CD2 3.42Å; W391-W447 HydrophobicContact CE3-CD2 3.42Å; W391-W447 VanDerWaalsContact CE3-CD2 3.42Å; W391-W447 AromaticContact CE3-CE2 3.62Å; W391-W447 AromaticContact CE3-CE3 3.91Å; W391-W447 HydrophobicContact CE3-CE3 3.91Å; W391-W447 AromaticContact CE3-CG 3.56Å; W391-W447 HydrophobicContact CE3-CG 3.56Å; W391-W447 HydrophobicContact CE3-CZ2 4.25Å; W391-W447 AromaticContact CE3-NE1 3.87Å; W391-W447 HydrophobicContact CZ3-CB 4.14Å; W391-W447 AromaticContact CZ3-CD1 3.62Å; W391-W447 HydrophobicContact CZ3-CD2 4.01Å; W391-W447 AromaticContact CZ3-CG 3.62Å; W391-W447 HydrophobicContact CZ3-CG 3.62Å; W391-W447 AromaticContact CZ3-NE1 3.98Å; L413-W447 HydrophobicContact CD1-CB 4.24Å; M441-W447 VanDerWaalsContact CE-CE2 3.42Å; M441-W447 HydrophobicContact CE-CZ2 3.36Å; C443-W447 PolarHBondContact O-NE1 3.12Å; C443-W447 VanDerWaalsContact O-NE1 3.09Å
448	T	94.6	Very high	87.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.8	-176.8	-53.4	0	0	0	0	111.3	N352 A355 F385 A386 L387 V414	N352-T448 VanDerWaalsContact OD1-CB 3.22Å; N352-T448 WeakPolarHBondContact OD1-CB 3.45Å; N352-T448 PolarHBondContact OD1-OG1 2.97Å; A355-T448 HydrophobicContact CB-CG2 3.54Å; F385-T448 HydrophobicContact CB-CG2 3.96Å; F385-T448 HydrophobicContact CD1-CG2 3.78Å; F385-T448 HydrophobicContact CG-CG2 4.34Å; A386-T448 CarbonylContact O-C 3.12Å; A386-T448 WeakPolarHBondContact O-CA 3.24Å; L387-T448 HydrophobicContact CG-CG2 4.37Å; V414-T448 HydrophobicContact CG2-CG2 3.78Å; V414-T448 PolarHBondContact N-O 3.29Å
449	L	94	Very high	87.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.2	165.1	-57.3	179.9	0	0	0	109.1	F385 A386 L388 V397 L399 E412 L413 L419 V431 L433 L451	F385-L449 CarbonylContact C-O 3.52Å; F385-L449 VanDerWaalsContact CA-O 3.29Å; F385-L449 WeakPolarHBondContact CA-O 3.35Å; A386-L449 HydrophobicContact CB-CB 4.27Å; A386-L449 PolarHBondContact N-O 3.31Å; A386-L449 PolarHBondContact O-N 3.5Å; L388-L449 HydrophobicContact CD1-CD1 3.89Å; L388-L449 HydrophobicContact CD1-CG 3.73Å; V397-L449 HydrophobicContact CG1-CD1 3.73Å; L399-L449 HydrophobicContact CD1-CD1 4.29Å; E412-L449 CarbonylContact O-C 3.53Å; E412-L449 WeakPolarHBondContact O-CA 3.2Å; L413-L449 HydrophobicContact CB-CD2 4.31Å; L413-L449 HydrophobicContact CD1-CD2 3.94Å; L419-L449 HydrophobicContact CD1-CD2 3.56Å; V431-L449 HydrophobicContact CB-CD1 4.26Å; V431-L449 HydrophobicContact CG1-CD1 4.14Å; V431-L449 HydrophobicContact CG2-CD1 4.23Å; L433-L449 HydrophobicContact CD2-CD2 4.24Å; L449-L451 HydrophobicContact CB-CD1 4.26Å
450	K	94.6	Very high	88	Confident	25 Å²	25	35.3 Å²	35.3	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.8	170.9	167.8	165.3	158	-172.8	0	109	E354 E381 A383 F385 V411 E412 V414 T452	E354-K450 IonicContact OE1-NZ 3.46Å; E354-K450 PolarHBondContact OE1-NZ 2.93Å; E354-K450 IonicContact OE2-NZ 3.54Å; E381-K450 IonicContact OE2-NZ 3.98Å; A383-K450 HydrophobicContact CB-CG 4.47Å; F385-K450 HydrophobicContact CD1-CB 3.82Å; F385-K450 HydrophobicContact CD1-CD 4.37Å; F385-K450 HydrophobicContact CD1-CG 4.25Å; F385-K450 HydrophobicContact CE1-CB 3.79Å; F385-K450 HydrophobicContact CE1-CD 3.51Å; F385-K450 HydrophobicContact CE1-CG 3.85Å; F385-K450 HydrophobicContact CZ-CD 3.89Å; F385-K450 HydrophobicContact CZ-CG 4.4Å; V411-K450 WeakPolarHBondContact CA-O 3.26Å; E412-K450 HydrophobicContact CG-CB 3.68Å; E412-K450 HydrophobicContact CG-CD 4.45Å; E412-K450 HydrophobicContact CG-CG 4.07Å; E412-K450 PolarHBondContact N-O 3.38Å; E412-K450 PolarHBondContact O-N 3.09Å; E412-K450 WeakPolarHBondContact OE1-CD 3.32Å; E412-K450 WeakPolarHBondContact OE1-CE 3.42Å; E412-K450 WeakPolarHBondContact OE1-CG 3.23Å; E412-K450 IonicContact OE1-NZ 3.42Å; E412-K450 PolarHBondContact OE1-NZ 3.34Å; V414-K450 HydrophobicContact CG2-CB 4.02Å; K450-T452 HydrophobicContact CG-CG2 4.14Å
451	L	92.8	Very high	88.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.5	177.9	-60.3	89.8	0	0	0	108.1	A383 I384 A386 L399 P402 Q410 V411 L429 L449 A454	A383-L451 WeakPolarHBondContact CA-O 3.19Å; I384-L451 HydrophobicContact CB-CB 4.39Å; I384-L451 PolarHBondContact N-O 3.01Å; I384-L451 PolarHBondContact O-N 3.19Å; A386-L451 HydrophobicContact CB-CD1 4.09Å; L399-L451 HydrophobicContact CD1-CD1 4.41Å; L399-L451 HydrophobicContact CD1-CD2 4.31Å; P402-L451 HydrophobicContact CB-CD2 4.17Å; P402-L451 HydrophobicContact CG-CD2 4.25Å; Q410-L451 WeakPolarHBondContact O-CA 3.17Å; V411-L451 HydrophobicContact CG2-CD2 4.32Å; V411-L451 HydrophobicContact CG2-CG 4.27Å; L429-L451 HydrophobicContact CD1-CD2 3.89Å; L429-L451 HydrophobicContact CD2-CD2 3.76Å; L429-L451 HydrophobicContact CG-CD2 4.5Å; L449-L451 HydrophobicContact CB-CD1 4.26Å; L451-A454 HydrophobicContact CB-CB 4.15Å
452	T	90.6	Very high	88.5	Confident	37 Å²	37	26.9 Å²	26.9	23%	0.227	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.6	174.7	58.1	0	0	0	0	109.9	A383 T409 Q410 K450 A454	A383-T452 HydrophobicContact CB-CG2 4.22Å; T409-T452 VanDerWaalsContact CA-O 3.28Å; T409-T452 WeakPolarHBondContact CA-O 3.46Å; Q410-T452 PolarHBondContact N-O 2.89Å; Q410-T452 PolarHBondContact O-N 3.36Å; K450-T452 HydrophobicContact CG-CG2 4.14Å; T452-A454 PolarHBondContact O-N 3.09Å
453	G	82.3	Confident	89.1	Confident	35 Å²	35	27 Å²	27	36%	0.361	16%	0.161	S	C	.	.	S	Bend	trans	71.7	18.4	-177.6	0	0	0	0	0	113.6	K382 T409	K382-G453 PolarHBondContact O-N 3.12Å; T409-G453 PolarHBondContact OG1-O 2.89Å
454	A	80.4	Confident	89.1	Confident	13 Å²	13	28.2 Å²	28.2	11%	0.107	17%	0.167	C	C	.	.			trans	-100.2	150.2	162.2	0	0	0	0	0	108.7	I384 V403 V404 T409 L451 T452	I384-A454 HydrophobicContact CD1-CB 4.13Å; I384-A454 WeakPolarHBondContact CD1-O 3.5Å; V403-A454 WeakPolarHBondContact O-CA 3.5Å; V404-A454 HydrophobicContact CG1-CB 4.19Å; T409-A454 HydrophobicContact CG2-CB 3.93Å; L451-A454 HydrophobicContact CB-CB 4.15Å; T452-A454 PolarHBondContact O-N 3.09Å
455	S	74.7	Confident	89.3	Confident	78 Å²	78	22.9 Å²	22.9	55%	0.545	15%	0.145	S	C	.	.			trans	-110	0	177.4	63.3	0	0	0	0	112.1	W362 R363 V403	W362-S455 WeakPolarHBondContact CZ2-OXT 3.46Å; R363-S455 PolarHBondContact NH1-O 3.18Å; R363-S455 PolarHBondContact NH1-OXT 3.26Å; R363-S455 PolarHBondContact NH2-O 3Å; R363-S455 PolarHBondContact NH2-OXT 3.24Å; V403-S455 PolarHBondContact N-O 3.43Å; V403-S455 PolarHBondContact O-N 3.16Å

Retrieved 455 of 455 residues in 307.4 ms (Link to these results)

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