A0A087YCB6_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 A0A087YCB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	39.7	Very low	40.2	Very low	253 Å²	253	146.8 Å²	146.8	100%	1.246	85%	0.845	S	S	*	*				0	105.4	0	-80.2	176.8	173	0	0	107.5
2	A	34.8	Very low	40.6	Very low	101 Å²	101	143.7 Å²	143.7	84%	0.835	84%	0.838	S	S	*	*			trans	-95.6	121.8	175.9	0	0	0	0	0	108.1
3	A	38.4	Very low	40.9	Very low	91 Å²	91	141.8 Å²	141.8	75%	0.752	83%	0.834	S	S	*	*			trans	-85	118.9	176.6	0	0	0	0	0	109.2
4	V	38.8	Very low	41.6	Very low	125 Å²	125	138.9 Å²	138.9	76%	0.758	83%	0.833	S	S	*	*			trans	-84.8	113.8	172.7	175.9	0	0	0	0	107.7	L6	V4-L6 HydrophobicContact CG1-CD1 4.33Å; V4-L6 PolarHBondContact O-N 3.49Å
5	F	40.3	Very low	43	Very low	193 Å²	193	135.1 Å²	135.1	85%	0.846	82%	0.823	S	S	*	*			trans	-81.4	109.9	167.1	-92.4	-89.3	0	0	0	108.8	L7	F5-L7 PolarHBondContact O-N 3.3Å
6	L	40.8	Very low	45.3	Very low	150 Å²	150	132.2 Å²	132.2	79%	0.785	82%	0.817	S	S	*	*			trans	-75.5	110.1	166.1	-105.6	99.1	0	0	0	109	V4 L8	V4-L6 HydrophobicContact CG1-CD1 4.33Å; V4-L6 PolarHBondContact O-N 3.49Å; L6-L8 PolarHBondContact O-N 3.37Å
7	L	41.5	Very low	48.2	Very low	170 Å²	170	133.3 Å²	133.3	89%	0.89	80%	0.803	S	S	*	*			trans	-73	105.5	162.6	-93.8	136.6	0	0	0	108.5	F5 A9	F5-L7 PolarHBondContact O-N 3.3Å; L7-A9 PolarHBondContact O-N 3.16Å; L7-A9 VanDerWaalsContact O-N 3.16Å
8	L	42.2	Very low	50.9	Low	146 Å²	146	128.6 Å²	128.6	76%	0.764	77%	0.769	S	S	*	*			trans	-72.8	99.3	165.5	-84.5	156.3	0	0	0	108.3	L6 F10	L6-L8 PolarHBondContact O-N 3.37Å; L8-F10 PolarHBondContact O-N 3.24Å
9	A	43.8	Very low	53.4	Low	95 Å²	95	125.7 Å²	125.7	79%	0.785	75%	0.752	S	S	*	*			trans	-67.9	111	165.4	0	0	0	0	0	108.4	L7 A11	L7-A9 PolarHBondContact O-N 3.16Å; L7-A9 VanDerWaalsContact O-N 3.16Å; A9-A11 PolarHBondContact O-N 3.14Å
10	F	41.5	Very low	55.6	Low	199 Å²	199	121 Å²	121	87%	0.873	73%	0.728	S	S	*	*			trans	-67.7	97.3	165.2	-79.2	-88	0	0	0	107.9	L8 S12	L8-F10 PolarHBondContact O-N 3.24Å; F10-S12 PolarHBondContact O-N 3Å; F10-S12 VanDerWaalsContact O-N 3.14Å
11	A	40.5	Very low	57.6	Low	92 Å²	92	118.4 Å²	118.4	76%	0.76	71%	0.71	S	S	*	*			trans	-66.8	107.7	164.1	0	0	0	0	0	107.6	A9	A9-A11 PolarHBondContact O-N 3.14Å
12	S	45.1	Very low	60.4	Low	109 Å²	109	107.9 Å²	107.9	76%	0.762	66%	0.656	S	S	*	*			trans	-54.5	125.1	165.4	-74.6	0	0	0	0	107.8	F10 A14	F10-S12 PolarHBondContact O-N 3Å; F10-S12 VanDerWaalsContact O-N 3.14Å; S12-A14 PolarHBondContact O-N 2.88Å
13	P	44.2	Very low	63.4	Low	120 Å²	120	109 Å²	109	78%	0.779	65%	0.653	S	S	*	*			trans	-59.2	128.3	174.5	25.4	-30.9	0	0	0	106.9	A15	P13-A15 PolarHBondContact O-N 3.19Å
14	A	50.3	Low	66.2	Low	100 Å²	100	105.9 Å²	105.9	83%	0.826	63%	0.625	S	S	*	*			trans	-54.5	109.5	171.9	0	0	0	0	0	107.1	S12 A16	S12-A14 PolarHBondContact O-N 2.88Å; A14-A16 PolarHBondContact O-N 2.94Å
15	A	63.1	Low	69	Low	82 Å²	82	100.2 Å²	100.2	68%	0.678	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-54.4	131.9	179	0	0	0	0	0	108	P13 R17	P13-A15 PolarHBondContact O-N 3.19Å; A15-R17 PolarHBondContact O-N 3.03Å
16	A	79.6	Confident	71.7	Confident	89 Å²	89	93.8 Å²	93.8	74%	0.736	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.8	175.8	0	0	0	0	0	108.5	A14	A14-A16 PolarHBondContact O-N 2.94Å
17	R	94.6	Very high	74.4	Confident	151 Å²	151	90 Å²	90	57%	0.57	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.9	-179.3	-70	-176.1	65.3	97.9	-0.9	110	A15 N234 D235	A15-R17 PolarHBondContact O-N 3.03Å; R17-N234 VanDerWaalsContact CA-OD1 3.31Å; R17-N234 WeakPolarHBondContact CA-OD1 3.34Å; R17-D235 IonicContact CZ-OD1 2.66Å; R17-D235 IonicContact CZ-OD2 3.43Å; R17-D235 IonicContact NH1-OD1 3.98Å; R17-D235 PolarHBondContact NH1-OD1 3.21Å; R17-D235 IonicContact NH2-OD1 3.41Å; R17-D235 PolarHBondContact NH2-OD1 3.11Å; R17-D235 IonicContact NH2-OD2 2.59Å; R17-D235 PolarHBondContact NH2-OD2 3.13Å
18	Y	97.3	Very high	77	Confident	48 Å²	48	83.4 Å²	83.4	19%	0.188	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-73	127.8	174.8	-59.8	-72.9	0	0	0	110.1	S24 R28 Y233 N234	Y18-S24 WeakPolarHBondContact CD1-O 3.48Å; Y18-R28 HydrophobicContact CD1-CB 4.28Å; Y18-R28 HydrophobicContact CE1-CB 3.57Å; Y18-R28 HydrophobicContact CE1-CG 4.13Å; Y18-R28 HydrophobicContact CE2-CB 4.49Å; Y18-R28 HydrophobicContact CE2-CG 4.23Å; Y18-R28 WeakPolarHBondContact OH-CG 3.34Å; Y18-Y233 VanDerWaalsContact CD2-CB 3.49Å; Y18-N234 PolarHBondContact N-ND2 3.38Å; Y18-N234 PolarHBondContact N-OD1 3.45Å; Y18-N234 PolarHBondContact O-ND2 2.92Å
19	T	98	Very high	79.5	Confident	75 Å²	75	81 Å²	81	46%	0.46	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-89.5	154.5	174.4	52.1	0	0	0	0	110.1	N21 S24	T19-N21 PolarHBondContact O-N 3.07Å; T19-N21 PolarHBondContact OG1-ND2 3.4Å; T19-S24 PolarHBondContact N-OG 2.96Å; T19-S24 WeakPolarHBondContact OG1-CB 3.36Å; T19-S24 PolarHBondContact OG1-OG 2.82Å
20	A	97.9	Very high	82.1	Confident	31 Å²	31	79 Å²	79	26%	0.256	49%	0.488	S	S	.	.	S	Bend	trans	-75.5	58.8	-177.8	0	0	0	0	0	113.1	T226 Q227 A230	A20-T226 PolarHBondContact O-OG1 3.33Å; A20-Q227 VanDerWaalsContact CB-CD 3.41Å; A20-Q227 HydrophobicContact CB-CG 4.01Å; A20-A230 HydrophobicContact CB-CB 4.03Å
21	N	97.3	Very high	84.7	Confident	67 Å²	67	70.3 Å²	70.3	36%	0.358	45%	0.452	S	S	.	.	S	Bend	trans	-145.2	152.2	169.7	64.1	77.6	0	0	0	109.8	T19 T23 S24 L25	T19-N21 PolarHBondContact O-N 3.07Å; T19-N21 PolarHBondContact OG1-ND2 3.4Å; N21-T23 VanDerWaalsContact C-N 3.33Å; N21-T23 PolarHBondContact O-N 3.43Å; N21-T23 PolarHBondContact OD1-N 3.39Å; N21-S24 PolarHBondContact O-N 3.05Å; N21-S24 VanDerWaalsContact O-N 3.16Å; N21-S24 PolarHBondContact OD1-N 3.47Å; N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.35Å; N21-L25 PolarHBondContact O-N 3.42Å
22	W	98.1	Very high	87.4	Confident	32 Å²	32	69.6 Å²	69.6	12%	0.121	44%	0.441	C	S	.	.	H	α-helix	trans	-59.5	-38.9	-175	-66.5	117.1	0	0	0	114.2	S24 L25 D26 D220 T226 L229 W248 T252 H256	W22-S24 VanDerWaalsContact C-N 3.27Å; W22-S24 PolarHBondContact O-N 3.21Å; W22-L25 HydrophobicContact CE3-CB 4.44Å; W22-L25 HydrophobicContact CE3-CD1 4.15Å; W22-L25 HydrophobicContact CZ3-CD1 4.28Å; W22-L25 PolarHBondContact O-N 3.49Å; W22-D26 VanDerWaalsContact O-CB 3.25Å; W22-D26 WeakPolarHBondContact O-CB 3.42Å; W22-D26 PolarHBondContact O-N 3.27Å; W22-D220 HydrophobicContact CZ2-CB 3.87Å; W22-D220 PolarHBondContact NE1-OD2 3.3Å; W22-T226 HydrophobicContact CD2-CG2 3.93Å; W22-T226 VanDerWaalsContact CE2-CG2 3.49Å; W22-T226 HydrophobicContact CE3-CG2 4.44Å; W22-T226 HydrophobicContact CG-CG2 4.38Å; W22-T226 HydrophobicContact CH2-CG2 4.23Å; W22-T226 HydrophobicContact CZ2-CG2 3.68Å; W22-L229 HydrophobicContact CH2-CD1 3.67Å; W22-L229 HydrophobicContact CZ3-CD1 3.59Å; W22-W248 HydrophobicContact CH2-CB 3.81Å; W22-W248 HydrophobicContact CH2-CG 4.4Å; W22-W248 HydrophobicContact CZ2-CB 4.38Å; W22-T252 HydrophobicContact CH2-CG2 4.39Å; W22-T252 HydrophobicContact CZ2-CG2 3.79Å; W22-H256 WeakPolarHBondContact CB-CE1 3.47Å; W22-H256 WeakPolarHBondContact CB-ND1 3.37Å; W22-H256 AromaticContact CD1-CD2 3.91Å; W22-H256 AromaticContact CD1-CE1 3.91Å; W22-H256 AromaticContact CD1-NE2 3.65Å; W22-H256 HydrophobicContact CD2-CB 3.87Å; W22-H256 AromaticContact CD2-CD2 3.67Å; W22-H256 AromaticContact CD2-CG 3.47Å; W22-H256 VanDerWaalsContact CD2-CG 3.47Å; W22-H256 AromaticContact CD2-ND1 3.73Å; W22-H256 AromaticContact CE2-CD2 3.79Å; W22-H256 AromaticContact CE2-CG 3.99Å; W22-H256 HydrophobicContact CE3-CB 3.47Å; W22-H256 VanDerWaalsContact CE3-CB 3.47Å; W22-H256 AromaticContact CE3-CG 3.59Å; W22-H256 AromaticContact CE3-ND1 3.92Å; W22-H256 AromaticContact CG-CD2 3.75Å; W22-H256 AromaticContact CG-CE1 3.47Å; W22-H256 VanDerWaalsContact CG-CE1 3.47Å; W22-H256 AromaticContact CG-CG 3.74Å; W22-H256 AromaticContact CG-ND1 3.56Å; W22-H256 AromaticContact CG-NE2 3.63Å; W22-H256 HydrophobicContact CH2-CB 4.14Å; W22-H256 HydrophobicContact CZ2-CB 4.48Å; W22-H256 HydrophobicContact CZ3-CB 3.62Å; W22-H256 AromaticContact NE1-CD2 3.94Å
23	T	97.4	Very high	90	Very high	124 Å²	124	65.9 Å²	65.9	76%	0.761	41%	0.41	S	S	*	.	H	α-helix	trans	-57	-41.6	177.6	-55.8	0	0	0	0	112.2	N21	N21-T23 VanDerWaalsContact C-N 3.33Å; N21-T23 PolarHBondContact O-N 3.43Å; N21-T23 PolarHBondContact OD1-N 3.39Å
24	S	97.9	Very high	92.6	Very high	25 Å²	25	60.1 Å²	60.1	18%	0.175	37%	0.373	C	S	.	.	H	α-helix	trans	-74.7	-41.4	176.7	-171.9	0	0	0	0	112.5	Y18 T19 N21 W22 A27	Y18-S24 WeakPolarHBondContact CD1-O 3.48Å; T19-S24 PolarHBondContact N-OG 2.96Å; T19-S24 WeakPolarHBondContact OG1-CB 3.36Å; T19-S24 PolarHBondContact OG1-OG 2.82Å; N21-S24 PolarHBondContact O-N 3.05Å; N21-S24 VanDerWaalsContact O-N 3.16Å; N21-S24 PolarHBondContact OD1-N 3.47Å; W22-S24 VanDerWaalsContact C-N 3.27Å; W22-S24 PolarHBondContact O-N 3.21Å; S24-A27 PolarHBondContact O-N 3.27Å
25	L	98.2	Very high	94.9	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-42.7	-176.4	-65.7	169.8	0	0	0	112	N21 W22 A27 R28 T226 L229 A230 Y233	N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.35Å; N21-L25 PolarHBondContact O-N 3.42Å; W22-L25 HydrophobicContact CE3-CB 4.44Å; W22-L25 HydrophobicContact CE3-CD1 4.15Å; W22-L25 HydrophobicContact CZ3-CD1 4.28Å; W22-L25 PolarHBondContact O-N 3.49Å; L25-A27 PolarHBondContact O-N 2.87Å; L25-R28 WeakPolarHBondContact O-CB 3.3Å; L25-R28 PolarHBondContact O-N 2.92Å; L25-R28 VanDerWaalsContact O-N 3.09Å; L25-T226 HydrophobicContact CD1-CG2 3.99Å; L25-L229 HydrophobicContact CD1-CB 3.94Å; L25-L229 HydrophobicContact CD1-CD1 4.29Å; L25-L229 HydrophobicContact CD2-CB 4.01Å; L25-A230 HydrophobicContact CD2-CB 4.21Å; L25-Y233 HydrophobicContact CD2-CD2 3.74Å; L25-Y233 HydrophobicContact CD2-CE2 4.05Å
26	D	97.6	Very high	96.6	Very high	58 Å²	58	57 Å²	57	31%	0.31	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.8	179.8	-63.1	-21.7	0	0	0	112.1	W22 R28 H256 G257	W22-D26 VanDerWaalsContact O-CB 3.25Å; W22-D26 WeakPolarHBondContact O-CB 3.42Å; W22-D26 PolarHBondContact O-N 3.27Å; D26-R28 PolarHBondContact O-N 2.93Å; D26-H256 IonicContact OD1-ND1 2.72Å; D26-H256 IonicContact OD2-CE1 3.85Å; D26-H256 IonicContact OD2-CG 3.32Å; D26-H256 IonicContact OD2-ND1 2.89Å; D26-H256 PolarHBondContact OD2-ND1 3.45Å; D26-G257 PolarHBondContact OD1-N 3.06Å
27	A	96.3	Very high	97.5	Very high	72 Å²	72	53 Å²	53	60%	0.595	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.3	172.3	0	0	0	0	0	113.1	S24 L25 P29	S24-A27 PolarHBondContact O-N 3.27Å; L25-A27 PolarHBondContact O-N 2.87Å; A27-P29 WeakPolarHBondContact O-CD 3.45Å
28	R	95.8	Very high	97.7	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.117	27%	0.268	C	S	.	.	S	Bend	trans	-65.2	124.2	177.1	178.8	165.7	175.9	-87.8	4.1	110.1	Y18 L25 D26 L30 K239 V242	Y18-R28 HydrophobicContact CD1-CB 4.28Å; Y18-R28 HydrophobicContact CE1-CB 3.57Å; Y18-R28 HydrophobicContact CE1-CG 4.13Å; Y18-R28 HydrophobicContact CE2-CB 4.49Å; Y18-R28 HydrophobicContact CE2-CG 4.23Å; Y18-R28 WeakPolarHBondContact OH-CG 3.34Å; L25-R28 WeakPolarHBondContact O-CB 3.3Å; L25-R28 PolarHBondContact O-N 2.92Å; L25-R28 VanDerWaalsContact O-N 3.09Å; D26-R28 PolarHBondContact O-N 2.93Å; R28-L30 PolarHBondContact O-N 3.45Å; R28-K239 PolarHBondContact NH2-O 3.34Å; R28-V242 VanDerWaalsContact CZ-O 3.26Å; R28-V242 PolarHBondContact NH1-O 3.1Å; R28-V242 PolarHBondContact NH2-O 2.93Å
29	P	95.9	Very high	97.8	Very high	94 Å²	94	43.5 Å²	43.5	61%	0.61	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-60.3	139.4	173.9	-22.2	33.4	0	0	0	111.4	A27 P31	A27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-P31 WeakPolarHBondContact O-CD 3.38Å
30	L	96.8	Very high	97.8	Very high	54 Å²	54	40 Å²	40	28%	0.283	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-66	127.5	171.3	-176.2	74.2	0	0	0	109.9	R28 S32 Y34 D35 V243 G258 K275	R28-L30 PolarHBondContact O-N 3.45Å; L30-S32 PolarHBondContact O-N 2.84Å; L30-Y34 HydrophobicContact CD1-CD1 3.87Å; L30-Y34 HydrophobicContact CD2-CD1 4.22Å; L30-Y34 HydrophobicContact CG-CD1 4.44Å; L30-D35 HydrophobicContact CD2-CB 3.98Å; L30-V243 HydrophobicContact CD1-CG1 3.73Å; L30-G258 WeakPolarHBondContact CD1-O 3.34Å; L30-K275 HydrophobicContact CD2-CB 3.84Å; L30-K275 HydrophobicContact CD2-CD 4.17Å; L30-K275 HydrophobicContact CD2-CG 3.65Å
31	P	97.4	Very high	97.9	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-53.4	129.8	169.4	-26.4	35.9	0	0	0	111.6	P29 W33 Y34 V243	P29-P31 WeakPolarHBondContact O-CD 3.38Å; P31-W33 VanDerWaalsContact C-N 3.27Å; P31-W33 PolarHBondContact O-N 2.72Å; P31-Y34 PolarHBondContact O-N 2.81Å; P31-Y34 VanDerWaalsContact O-N 3.13Å; P31-V243 HydrophobicContact CB-CG1 4.41Å; P31-V243 HydrophobicContact CG-CG1 3.79Å
32	S	97.8	Very high	97.9	Very high	78 Å²	78	35.4 Å²	35.4	55%	0.545	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-36	-171.6	63.2	0	0	0	0	113.1	L30 Y34 D35 E36	L30-S32 PolarHBondContact O-N 2.84Å; S32-Y34 PolarHBondContact O-N 2.92Å; S32-Y34 VanDerWaalsContact O-N 3.15Å; S32-D35 PolarHBondContact O-N 2.93Å; S32-D35 VanDerWaalsContact O-N 3.12Å; S32-E36 VanDerWaalsContact O-CG 3.32Å; S32-E36 WeakPolarHBondContact O-CG 3.47Å; S32-E36 PolarHBondContact O-N 3.43Å
33	W	98.6	Very high	98	Very high	30 Å²	30	33.9 Å²	33.9	11%	0.114	20%	0.203	C	C	.	.	H	α-helix	trans	-53.2	-38.8	178.8	78.6	-99.4	0	0	0	111.7	P31 E36 A37 Y114 H161 E208 V209 T241 V243	P31-W33 VanDerWaalsContact C-N 3.27Å; P31-W33 PolarHBondContact O-N 2.72Å; W33-E36 PolarHBondContact O-N 2.93Å; W33-A37 HydrophobicContact CE3-CB 4.23Å; W33-A37 HydrophobicContact CZ3-CB 4.38Å; W33-A37 WeakPolarHBondContact O-CB 3.45Å; W33-A37 PolarHBondContact O-N 3.17Å; W33-Y114 HydrophobicContact CZ3-CD1 4.5Å; W33-Y114 HydrophobicContact CZ3-CG 4.35Å; W33-H161 AromaticContact CD2-CD2 3.79Å; W33-H161 AromaticContact CD2-CE1 3.61Å; W33-H161 AromaticContact CD2-CG 3.92Å; W33-H161 AromaticContact CD2-ND1 3.83Å; W33-H161 AromaticContact CD2-NE2 3.6Å; W33-H161 HydrophobicContact CE3-CB 4.15Å; W33-H161 AromaticContact CE3-CD2 3.16Å; W33-H161 AromaticContact CE3-CE1 3.82Å; W33-H161 AromaticContact CE3-CG 3.49Å; W33-H161 VanDerWaalsContact CE3-CG 3.49Å; W33-H161 AromaticContact CE3-ND1 3.9Å; W33-H161 AromaticContact CE3-NE2 3.41Å; W33-H161 AromaticContact CG-CE1 3.68Å; W33-H161 AromaticContact CG-NE2 3.76Å; W33-H161 HydrophobicContact CH2-CB 3.86Å; W33-H161 HydrophobicContact CZ3-CB 3.67Å; W33-H161 AromaticContact CZ3-CD2 3.55Å; W33-H161 AromaticContact CZ3-CG 3.55Å; W33-E208 HydrophobicContact CH2-CB 4.35Å; W33-E208 HydrophobicContact CZ2-CB 3.82Å; W33-E208 WeakPolarHBondContact CZ2-O 3.45Å; W33-V209 HydrophobicContact CH2-CG2 3.7Å; W33-V209 HydrophobicContact CZ2-CG2 4.28Å; W33-T241 PolarHBondContact NE1-O 2.66Å; W33-V243 HydrophobicContact CH2-CG2 4.45Å; W33-V243 HydrophobicContact CZ2-CG2 4.13Å
34	Y	98.8	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-42	-176.6	-174	-102.5	0	0	0	110.8	L30 P31 S32 E36 Y114 V209 V243 F259 K275 E277 N317	L30-Y34 HydrophobicContact CD1-CD1 3.87Å; L30-Y34 HydrophobicContact CD2-CD1 4.22Å; L30-Y34 HydrophobicContact CG-CD1 4.44Å; P31-Y34 PolarHBondContact O-N 2.81Å; P31-Y34 VanDerWaalsContact O-N 3.13Å; S32-Y34 PolarHBondContact O-N 2.92Å; S32-Y34 VanDerWaalsContact O-N 3.15Å; Y34-E36 VanDerWaalsContact C-N 3.3Å; Y34-E36 PolarHBondContact O-N 2.61Å; Y34-Y114 HydrophobicContact CE2-CE2 4.16Å; Y34-V209 HydrophobicContact CE2-CG2 4.42Å; Y34-V243 HydrophobicContact CD1-CG1 4.48Å; Y34-V243 HydrophobicContact CD1-CG2 4.48Å; Y34-V243 HydrophobicContact CD2-CG2 3.59Å; Y34-V243 HydrophobicContact CE2-CG2 3.87Å; Y34-V243 HydrophobicContact CG-CB 4.48Å; Y34-V243 HydrophobicContact CG-CG1 4.1Å; Y34-V243 HydrophobicContact CG-CG2 3.92Å; Y34-F259 HydrophobicContact CD1-CD1 4.35Å; Y34-F259 HydrophobicContact CE1-CB 3.91Å; Y34-F259 AromaticContact CE1-CD1 3.52Å; Y34-F259 HydrophobicContact CE1-CD1 3.52Å; Y34-F259 HydrophobicContact CE1-CD2 4.38Å; Y34-F259 HydrophobicContact CE1-CE1 4.1Å; Y34-F259 AromaticContact CE1-CG 3.68Å; Y34-F259 HydrophobicContact CE1-CG 3.68Å; Y34-F259 HydrophobicContact CE2-CD1 4.47Å; Y34-F259 HydrophobicContact CE2-CE1 4.24Å; Y34-F259 AromaticContact CZ-CD1 3.59Å; Y34-F259 AromaticContact CZ-CE1 3.68Å; Y34-F259 AromaticContact CZ-CG 3.86Å; Y34-F259 WeakPolarHBondContact OH-CD2 3.48Å; Y34-F259 VanDerWaalsContact OH-CE2 3.28Å; Y34-F259 WeakPolarHBondContact OH-CE2 3.4Å; Y34-F259 WeakPolarHBondContact OH-CG 3.31Å; Y34-F259 WeakPolarHBondContact OH-CZ 3.31Å; Y34-K275 HydrophobicContact CD1-CG 4.37Å; Y34-K275 HydrophobicContact CE1-CG 4.21Å; Y34-E277 WeakPolarHBondContact OH-CB 3.4Å; Y34-E277 PolarHBondContact OH-OE2 3.44Å; Y34-N317 PolarHBondContact O-ND2 3.17Å; Y34-N317 PolarHBondContact O-OD1 2.79Å
35	D	98.4	Very high	98.1	Very high	21 Å²	21	27.1 Å²	27.1	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-31.7	174.2	-175.2	58.6	0	0	0	112.4	L30 S32 K38 K275 K356	L30-D35 HydrophobicContact CD2-CB 3.98Å; S32-D35 PolarHBondContact O-N 2.93Å; S32-D35 VanDerWaalsContact O-N 3.12Å; D35-K38 WeakPolarHBondContact O-CD 3.41Å; D35-K38 WeakPolarHBondContact O-CE 3.49Å; D35-K38 PolarHBondContact O-NZ 2.97Å; D35-K38 IonicContact OD1-NZ 2.74Å; D35-K38 PolarHBondContact OD1-NZ 2.51Å; D35-K38 IonicContact OD2-NZ 3.49Å; D35-K275 WeakPolarHBondContact OD1-CD 3.45Å; D35-K275 WeakPolarHBondContact OD1-CE 3.46Å; D35-K275 IonicContact OD1-NZ 3.66Å; D35-K275 PolarHBondContact OD1-NZ 2.88Å; D35-K356 IonicContact OD2-NZ 2.84Å; D35-K356 PolarHBondContact OD2-NZ 3.33Å
36	E	98.8	Very high	98.1	Very high	94 Å²	94	27 Å²	27	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-78.4	-27.3	-179.1	-68.5	170.1	-159	0	0	113.5	S32 W33 Y34 A354	S32-E36 VanDerWaalsContact O-CG 3.32Å; S32-E36 WeakPolarHBondContact O-CG 3.47Å; S32-E36 PolarHBondContact O-N 3.43Å; W33-E36 PolarHBondContact O-N 2.93Å; Y34-E36 VanDerWaalsContact C-N 3.3Å; Y34-E36 PolarHBondContact O-N 2.61Å; E36-A354 HydrophobicContact CB-CB 4.03Å; E36-A354 HydrophobicContact CG-CB 3.83Å; E36-A354 PolarHBondContact O-N 2.7Å
37	A	98.8	Very high	98.1	Very high	6 Å²	6	24.2 Å²	24.2	5%	0.05	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-44.6	-173.3	0	0	0	0	0	114.2	W33 V39 K113 Y114 Y353	W33-A37 HydrophobicContact CE3-CB 4.23Å; W33-A37 HydrophobicContact CZ3-CB 4.38Å; W33-A37 WeakPolarHBondContact O-CB 3.45Å; W33-A37 PolarHBondContact O-N 3.17Å; A37-V39 PolarHBondContact O-N 3.15Å; A37-K113 HydrophobicContact CB-CB 3.68Å; A37-K113 HydrophobicContact CB-CG 4.33Å; A37-K113 WeakPolarHBondContact O-CG 3.4Å; A37-Y114 HydrophobicContact CB-CD1 3.97Å; A37-Y114 HydrophobicContact CB-CE1 4.24Å; A37-Y353 WeakPolarHBondContact O-CD1 3.38Å; A37-Y353 WeakPolarHBondContact O-CE1 3.25Å
38	K	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.			trans	57.7	-37	-179	-52.8	-50.5	-175.3	-172.4	0	118.1	D35 V312 N317 Y318 I352 Y353 T355	D35-K38 WeakPolarHBondContact O-CD 3.41Å; D35-K38 WeakPolarHBondContact O-CE 3.49Å; D35-K38 PolarHBondContact O-NZ 2.97Å; D35-K38 IonicContact OD1-NZ 2.74Å; D35-K38 PolarHBondContact OD1-NZ 2.51Å; D35-K38 IonicContact OD2-NZ 3.49Å; K38-V312 HydrophobicContact CB-CG2 4.1Å; K38-V312 HydrophobicContact CD-CG1 4.31Å; K38-V312 HydrophobicContact CG-CG1 4.44Å; K38-V312 HydrophobicContact CG-CG2 4.45Å; K38-N317 WeakPolarHBondContact CA-OD1 3.38Å; K38-N317 CarbonylContact O-C 3.6Å; K38-N317 WeakPolarHBondContact O-CA 3.49Å; K38-Y318 PolarHBondContact O-N 3.03Å; K38-I352 HydrophobicContact CB-CG2 3.75Å; K38-I352 HydrophobicContact CG-CG2 4.09Å; K38-I352 VanDerWaalsContact CG-O 3.3Å; K38-I352 WeakPolarHBondContact CG-O 3.26Å; K38-Y353 HydrophobicContact CB-CD1 4.47Å; K38-T355 WeakPolarHBondContact CE-O 3.38Å; K38-T355 PolarHBondContact NZ-O 2.67Å
39	V	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.5	-171.8	-174.1	0	0	0	0	109.3	A37 A112 K113 Y114 L308 Y318 L341 L345 I352 Y353	A37-V39 PolarHBondContact O-N 3.15Å; V39-A112 WeakPolarHBondContact O-CA 3.47Å; V39-K113 PolarHBondContact O-N 2.86Å; V39-Y114 VanDerWaalsContact C-CE1 3.45Å; V39-Y114 WeakPolarHBondContact O-CD1 3.27Å; V39-Y114 WeakPolarHBondContact O-CE1 3.44Å; V39-L308 HydrophobicContact CG2-CD1 3.78Å; V39-L308 HydrophobicContact CG2-CD2 4.24Å; V39-Y318 WeakPolarHBondContact CA-O 3.34Å; V39-L341 HydrophobicContact CG1-CD2 4.36Å; V39-L345 HydrophobicContact CG1-CD1 4.43Å; V39-L345 HydrophobicContact CG2-CD1 4.15Å; V39-I352 HydrophobicContact CG2-CG2 4.18Å; V39-Y353 HydrophobicContact CB-CE1 4.4Å; V39-Y353 HydrophobicContact CG2-CE1 4.07Å
40	G	98.9	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.4	174.1	0	0	0	0	0	112.4	Y114 Y318 L319 L320	G40-Y114 CarbonylContact C-O 3.59Å; G40-Y114 VanDerWaalsContact CA-CE1 3.42Å; G40-Y114 WeakPolarHBondContact CA-O 3.45Å; G40-Y318 PolarHBondContact N-O 3.16Å; G40-L319 WeakPolarHBondContact O-CA 3.47Å; G40-L320 PolarHBondContact O-N 3.17Å
41	I	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.5	170.5	-58	-52.9	0	0	0	109.9	V43 F107 A112 Y114 V115 V116 L319 L320 V322 L338	I41-V43 HydrophobicContact CG2-CG2 4.17Å; I41-F107 HydrophobicContact CB-CD1 4.19Å; I41-F107 HydrophobicContact CG1-CB 4.42Å; I41-F107 HydrophobicContact CG1-CD1 4.09Å; I41-F107 HydrophobicContact CG1-CG 4.46Å; I41-F107 HydrophobicContact CG2-CD1 3.8Å; I41-F107 HydrophobicContact CG2-CE1 3.76Å; I41-F107 HydrophobicContact CG2-CZ 4.43Å; I41-A112 HydrophobicContact CD1-CB 4.32Å; I41-A112 HydrophobicContact CG1-CB 3.71Å; I41-Y114 PolarHBondContact N-O 2.76Å; I41-V115 CarbonylContact O-C 3.41Å; I41-V115 VanDerWaalsContact O-CA 3.29Å; I41-V115 WeakPolarHBondContact O-CA 3.31Å; I41-V116 PolarHBondContact O-N 2.99Å; I41-L319 VanDerWaalsContact C-CD1 3.45Å; I41-L320 WeakPolarHBondContact CA-O 3.19Å; I41-L320 HydrophobicContact CD1-CB 4.38Å; I41-V322 HydrophobicContact CG2-CG2 4.25Å; I41-L338 HydrophobicContact CD1-CD2 3.51Å
42	F	98.9	Very high	98.6	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.5	169.9	-144.3	160.1	0	0	0	109.4	H44 V116 T118 Y165 W211 C279 L319 L320 N321 V322	F42-H44 AromaticContact CE1-CE1 3.77Å; F42-H44 AromaticContact CE2-CE1 3.69Å; F42-H44 AromaticContact CZ-CE1 3.53Å; F42-V116 CarbonylContact C-O 3.46Å; F42-V116 WeakPolarHBondContact CA-O 3.35Å; F42-V116 HydrophobicContact CD2-CB 3.82Å; F42-V116 HydrophobicContact CD2-CG1 3.87Å; F42-V116 VanDerWaalsContact CD2-O 3.24Å; F42-V116 WeakPolarHBondContact CD2-O 3.2Å; F42-V116 HydrophobicContact CE2-CB 4.09Å; F42-V116 HydrophobicContact CE2-CG1 3.6Å; F42-V116 HydrophobicContact CG-CB 4.35Å; F42-V116 HydrophobicContact CZ-CG1 4.2Å; F42-T118 HydrophobicContact CE2-CG2 4.33Å; F42-Y165 HydrophobicContact CE2-CD2 4.11Å; F42-Y165 HydrophobicContact CE2-CG 4.04Å; F42-Y165 AromaticContact CZ-CD2 3.46Å; F42-Y165 HydrophobicContact CZ-CD2 3.46Å; F42-Y165 VanDerWaalsContact CZ-CD2 3.46Å; F42-Y165 HydrophobicContact CZ-CE2 4.22Å; F42-Y165 AromaticContact CZ-CG 3.87Å; F42-Y165 HydrophobicContact CZ-CG 3.87Å; F42-W211 HydrophobicContact CE1-CD2 4.31Å; F42-W211 HydrophobicContact CE1-CZ2 4.45Å; F42-W211 HydrophobicContact CZ-CD2 4.29Å; F42-W211 HydrophobicContact CZ-CE3 4.48Å; F42-W211 HydrophobicContact CZ-CG 4.49Å; F42-C279 WeakPolarHBondContact CD1-SG 3.39Å; F42-C279 VanDerWaalsContact CE1-SG 3.59Å; F42-L319 HydrophobicContact CB-CD1 3.88Å; F42-L319 HydrophobicContact CB-CD2 4.3Å; F42-L319 HydrophobicContact CB-CG 3.88Å; F42-L319 HydrophobicContact CD1-CD2 3.44Å; F42-L319 VanDerWaalsContact CD1-CD2 3.44Å; F42-L319 HydrophobicContact CD1-CG 3.81Å; F42-L319 HydrophobicContact CE1-CD2 3.95Å; F42-L319 HydrophobicContact CG-CD1 4.34Å; F42-L319 HydrophobicContact CG-CD2 3.98Å; F42-L319 HydrophobicContact CG-CG 4.11Å; F42-L320 PolarHBondContact N-O 3.31Å; F42-N321 HydrophobicContact CB-CB 3.79Å; F42-N321 CarbonylContact O-C 3.52Å; F42-N321 VanDerWaalsContact O-CA 3.25Å; F42-N321 WeakPolarHBondContact O-CA 3.5Å; F42-N321 PolarHBondContact O-OD1 3.17Å; F42-V322 PolarHBondContact O-N 3.48Å
43	V	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	110.3	177.2	-172.6	0	0	0	0	109.6	I41 W45 W103 F107 V115 V116 L117 T118 V322 P324	I41-V43 HydrophobicContact CG2-CG2 4.17Å; V43-W45 HydrophobicContact CG1-CB 4.07Å; V43-W103 HydrophobicContact CG1-CH2 4.2Å; V43-W103 HydrophobicContact CG1-CZ3 3.75Å; V43-F107 HydrophobicContact CG2-CE1 4.34Å; V43-F107 HydrophobicContact CG2-CE2 4.29Å; V43-F107 HydrophobicContact CG2-CZ 3.71Å; V43-V115 HydrophobicContact CG2-CG1 4.39Å; V43-V116 PolarHBondContact N-O 3.25Å; V43-L117 HydrophobicContact CB-CD1 3.79Å; V43-L117 HydrophobicContact CG1-CD1 3.79Å; V43-T118 WeakPolarHBondContact O-CG2 3.47Å; V43-T118 PolarHBondContact O-N 3.36Å; V43-T118 PolarHBondContact O-OG1 2.95Å; V43-T118 VanDerWaalsContact O-OG1 3.13Å; V43-V322 WeakPolarHBondContact CA-O 3.31Å; V43-V322 HydrophobicContact CG2-CG2 4.34Å; V43-P324 HydrophobicContact CG1-CG 3.52Å
44	H	98.8	Very high	98.4	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.028	6%	0.059	C	C	.	.			trans	-93.9	103.7	168.2	-79.8	69.2	0	0	0	110	F42 F48 T118 W287 N321 V322 P324	F42-H44 AromaticContact CE1-CE1 3.77Å; F42-H44 AromaticContact CE2-CE1 3.69Å; F42-H44 AromaticContact CZ-CE1 3.53Å; H44-F48 HydrophobicContact CB-CE2 4.48Å; H44-F48 HydrophobicContact CB-CZ 4.41Å; H44-T118 HydrophobicContact CB-CG2 4.23Å; H44-W287 HydrophobicContact CB-CB 3.98Å; H44-N321 PolarHBondContact N-OD1 3.42Å; H44-N321 PolarHBondContact ND1-OD1 3.12Å; H44-V322 PolarHBondContact N-O 2.85Å; H44-P324 WeakPolarHBondContact O-CD 3.38Å
45	W	98.8	Very high	98.4	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.008	6%	0.064	C	C	.	.			trans	-143.2	133.9	-176.3	-167.5	47.6	0	0	0	110.5	V43 F93 A95 F98 W103 T118 N127 L147 P324 T325 G328	V43-W45 HydrophobicContact CG1-CB 4.07Å; W45-F93 HydrophobicContact CD2-CE2 4.15Å; W45-F93 AromaticContact CD2-CZ 3.78Å; W45-F93 HydrophobicContact CD2-CZ 3.78Å; W45-F93 AromaticContact CE2-CE2 3.47Å; W45-F93 VanDerWaalsContact CE2-CE2 3.47Å; W45-F93 AromaticContact CE2-CZ 3.46Å; W45-F93 VanDerWaalsContact CE2-CZ 3.46Å; W45-F93 HydrophobicContact CE3-CZ 4.23Å; W45-F93 HydrophobicContact CG-CE2 4.45Å; W45-F93 HydrophobicContact CG-CZ 4.31Å; W45-F93 HydrophobicContact CH2-CZ 4.1Å; W45-F93 AromaticContact CZ2-CE2 3.73Å; W45-F93 HydrophobicContact CZ2-CE2 3.73Å; W45-F93 AromaticContact CZ2-CZ 3.61Å; W45-F93 HydrophobicContact CZ2-CZ 3.61Å; W45-F93 HydrophobicContact CZ3-CZ 4.4Å; W45-F93 AromaticContact NE1-CE2 3.42Å; W45-F93 AromaticContact NE1-CZ 3.86Å; W45-A95 HydrophobicContact CH2-CB 3.51Å; W45-A95 HydrophobicContact CZ2-CB 3.64Å; W45-F98 HydrophobicContact CH2-CB 3.84Å; W45-F98 HydrophobicContact CH2-CD1 4.2Å; W45-F98 AromaticContact CH2-CD2 3.91Å; W45-F98 HydrophobicContact CH2-CD2 3.91Å; W45-F98 AromaticContact CH2-CG 3.7Å; W45-F98 HydrophobicContact CH2-CG 3.7Å; W45-F98 HydrophobicContact CZ2-CB 4.48Å; W45-F98 HydrophobicContact CZ3-CD1 4.41Å; W45-F98 HydrophobicContact CZ3-CD2 4.02Å; W45-F98 HydrophobicContact CZ3-CE2 4.23Å; W45-F98 HydrophobicContact CZ3-CG 4.12Å; W45-W103 AromaticContact CD2-CH2 3.75Å; W45-W103 HydrophobicContact CD2-CH2 3.75Å; W45-W103 AromaticContact CE3-CH2 3.58Å; W45-W103 HydrophobicContact CE3-CH2 3.58Å; W45-W103 HydrophobicContact CE3-CZ3 4.13Å; W45-W103 HydrophobicContact CG-CH2 4.25Å; W45-W103 HydrophobicContact CH2-CH2 4.36Å; W45-W103 AromaticContact CZ3-CH2 3.88Å; W45-W103 HydrophobicContact CZ3-CH2 3.88Å; W45-W103 HydrophobicContact CZ3-CZ3 4.43Å; W45-T118 PolarHBondContact N-OG1 2.86Å; W45-T118 PolarHBondContact O-OG1 2.97Å; W45-N127 PolarHBondContact O-ND2 2.83Å; W45-L147 HydrophobicContact CE3-CD1 4.2Å; W45-L147 HydrophobicContact CH2-CD1 3.9Å; W45-L147 HydrophobicContact CH2-CD2 4.08Å; W45-L147 HydrophobicContact CZ3-CB 4.17Å; W45-L147 HydrophobicContact CZ3-CD1 3.59Å; W45-L147 HydrophobicContact CZ3-CD2 4.07Å; W45-L147 HydrophobicContact CZ3-CG 4.15Å; W45-P324 HydrophobicContact CB-CG 4.21Å; W45-P324 HydrophobicContact CG-CB 4.13Å; W45-P324 HydrophobicContact CG-CG 4.16Å; W45-T325 PolarHBondContact NE1-O 3.36Å; W45-G328 VanDerWaalsContact CZ2-CA 3.46Å
46	G	98.3	Very high	98.3	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	173.8	-164.7	-176	0	0	0	0	0	111.1	F48 S49	G46-F48 PolarHBondContact O-N 3.36Å; G46-S49 VanDerWaalsContact O-CB 3.28Å; G46-S49 WeakPolarHBondContact O-CB 3.3Å; G46-S49 PolarHBondContact O-N 3.29Å
47	V	98.6	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31.3	-175.5	174.6	0	0	0	0	111.9	S49 V50 P51 Y86 F89 A90 F93 F125	V47-S49 PolarHBondContact O-N 2.85Å; V47-S49 VanDerWaalsContact O-N 3.13Å; V47-V50 VanDerWaalsContact O-CB 3.29Å; V47-V50 WeakPolarHBondContact O-CB 3.47Å; V47-V50 WeakPolarHBondContact O-CG2 3.32Å; V47-V50 PolarHBondContact O-N 3.19Å; V47-P51 WeakPolarHBondContact O-CD 3.15Å; V47-Y86 HydrophobicContact CG1-CE1 4.09Å; V47-F89 HydrophobicContact CG1-CB 3.43Å; V47-F89 VanDerWaalsContact CG1-CB 3.43Å; V47-A90 HydrophobicContact CG2-CB 4.2Å; V47-F93 HydrophobicContact CG2-CB 4.48Å; V47-F125 HydrophobicContact CG2-CB 3.96Å; V47-F125 HydrophobicContact CG2-CD1 3.71Å; V47-F125 HydrophobicContact CG2-CD2 3.47Å; V47-F125 VanDerWaalsContact CG2-CD2 3.47Å; V47-F125 HydrophobicContact CG2-CE1 3.97Å; V47-F125 HydrophobicContact CG2-CE2 3.74Å; V47-F125 HydrophobicContact CG2-CG 3.43Å; V47-F125 VanDerWaalsContact CG2-CG 3.43Å; V47-F125 HydrophobicContact CG2-CZ 3.97Å
48	F	98.6	Very high	98.3	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.009	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-59.1	-22.1	173.5	52.7	-104.4	0	0	0	114.3	H44 G46 V50 P51 G52 E56 Y86 H121 E123	H44-F48 HydrophobicContact CB-CE2 4.48Å; H44-F48 HydrophobicContact CB-CZ 4.41Å; G46-F48 PolarHBondContact O-N 3.36Å; F48-V50 PolarHBondContact O-N 2.86Å; F48-P51 WeakPolarHBondContact O-CD 3.21Å; F48-P51 WeakPolarHBondContact O-CG 2.97Å; F48-G52 PolarHBondContact O-N 3.12Å; F48-G52 VanDerWaalsContact O-N 3.11Å; F48-E56 HydrophobicContact CB-CB 4.41Å; F48-E56 HydrophobicContact CD1-CB 3.82Å; F48-E56 HydrophobicContact CD2-CB 3.57Å; F48-E56 HydrophobicContact CE1-CB 3.96Å; F48-E56 HydrophobicContact CE2-CB 3.69Å; F48-E56 HydrophobicContact CG-CB 3.66Å; F48-E56 HydrophobicContact CZ-CB 3.9Å; F48-Y86 PolarHBondContact N-OH 3.15Å; F48-H121 HydrophobicContact CE1-CB 3.71Å; F48-H121 AromaticContact CE1-CG 3.83Å; F48-H121 AromaticContact CE1-ND1 3.88Å; F48-E123 VanDerWaalsContact CD1-CD 3.47Å; F48-E123 WeakPolarHBondContact CD1-OE1 3.32Å; F48-E123 VanDerWaalsContact CD1-OE2 3.31Å; F48-E123 WeakPolarHBondContact CD1-OE2 3.46Å; F48-E123 VanDerWaalsContact CE1-OE1 3.29Å; F48-E123 WeakPolarHBondContact CE1-OE1 3.43Å
49	S	98.6	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.3	174.7	-67	0	0	0	0	112.6	G46 V47 P324	G46-S49 VanDerWaalsContact O-CB 3.28Å; G46-S49 WeakPolarHBondContact O-CB 3.3Å; G46-S49 PolarHBondContact O-N 3.29Å; V47-S49 PolarHBondContact O-N 2.85Å; V47-S49 VanDerWaalsContact O-N 3.13Å; S49-P324 PolarHBondContact OG-O 3.38Å
50	V	98.6	Very high	98.2	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-63.4	176.9	-179.3	0	0	0	0	110.7	V47 F48 G52 F89 Q92 F93 R291 A326	V47-V50 VanDerWaalsContact O-CB 3.29Å; V47-V50 WeakPolarHBondContact O-CB 3.47Å; V47-V50 WeakPolarHBondContact O-CG2 3.32Å; V47-V50 PolarHBondContact O-N 3.19Å; F48-V50 PolarHBondContact O-N 2.86Å; V50-G52 PolarHBondContact O-N 3.39Å; V50-F89 HydrophobicContact CB-CB 4.27Å; V50-F89 HydrophobicContact CB-CD1 4.11Å; V50-F89 HydrophobicContact CB-CG 4.47Å; V50-F89 HydrophobicContact CG1-CB 4.34Å; V50-F89 HydrophobicContact CG1-CD1 3.59Å; V50-F89 HydrophobicContact CG1-CE1 4.29Å; V50-F89 HydrophobicContact CG1-CG 4.35Å; V50-Q92 HydrophobicContact CG1-CB 3.69Å; V50-Q92 HydrophobicContact CG2-CB 4.47Å; V50-F93 HydrophobicContact CG2-CB 3.7Å; V50-F93 HydrophobicContact CG2-CD2 4.22Å; V50-F93 HydrophobicContact CG2-CG 4.43Å; V50-R291 PolarHBondContact O-NE 3.29Å; V50-R291 PolarHBondContact O-NH2 3.32Å; V50-A326 HydrophobicContact CB-CB 4.37Å; V50-A326 HydrophobicContact CG2-CB 3.86Å
51	P	97.8	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.7	172.3	24.4	-32.4	0	0	0	111	V47 F48 F53 F58 Y75 F89	V47-P51 WeakPolarHBondContact O-CD 3.15Å; F48-P51 WeakPolarHBondContact O-CD 3.21Å; F48-P51 WeakPolarHBondContact O-CG 2.97Å; P51-F53 PolarHBondContact O-N 3.19Å; P51-F58 HydrophobicContact CB-CD1 4.15Å; P51-F58 HydrophobicContact CB-CE1 4.05Å; P51-F58 HydrophobicContact CB-CE2 4.41Å; P51-F58 HydrophobicContact CB-CG 4.37Å; P51-F58 HydrophobicContact CB-CZ 4.17Å; P51-F58 HydrophobicContact CG-CD1 3.74Å; P51-F58 HydrophobicContact CG-CE1 4.07Å; P51-F58 HydrophobicContact CG-CG 4.02Å; P51-Y75 HydrophobicContact CB-CE1 4.07Å; P51-Y75 PolarHBondContact O-OH 3.36Å; P51-Y75 VanDerWaalsContact O-OH 3.05Å; P51-F89 HydrophobicContact CB-CE1 4.12Å; P51-F89 HydrophobicContact CB-CE2 4.39Å; P51-F89 HydrophobicContact CB-CZ 3.87Å; P51-F89 HydrophobicContact CG-CD2 4.45Å; P51-F89 HydrophobicContact CG-CE1 4.36Å; P51-F89 HydrophobicContact CG-CE2 4.14Å; P51-F89 HydrophobicContact CG-CZ 4.08Å
52	G	97.6	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.085	C	C	.	.			trans	52.4	42.7	176	0	0	0	0	0	112.1	F48 V50 Y289 R290 R291	F48-G52 PolarHBondContact O-N 3.12Å; F48-G52 VanDerWaalsContact O-N 3.11Å; V50-G52 PolarHBondContact O-N 3.39Å; G52-Y289 CarbonylContact C-O 3.5Å; G52-Y289 WeakPolarHBondContact CA-O 3.04Å; G52-R290 CarbonylContact O-C 3.56Å; G52-R290 WeakPolarHBondContact O-CA 3.47Å; G52-R291 PolarHBondContact O-N 2.77Å
53	F	97.6	Very high	98.1	Very high	40 Å²	40	21.1 Å²	21.1	18%	0.175	10%	0.101	C	C	.	.			trans	-135.5	135.7	-171.9	-175.9	-94.2	0	0	0	110.1	P51 S55 F58 K71 Y75	P51-F53 PolarHBondContact O-N 3.19Å; F53-S55 PolarHBondContact O-N 2.99Å; F53-F58 HydrophobicContact CB-CD2 4.31Å; F53-F58 HydrophobicContact CB-CE2 4.22Å; F53-F58 HydrophobicContact CD1-CD2 4.24Å; F53-F58 AromaticContact CD1-CE2 3.89Å; F53-F58 HydrophobicContact CD1-CE2 3.89Å; F53-F58 VanDerWaalsContact O-CD2 3.25Å; F53-F58 WeakPolarHBondContact O-CD2 3.18Å; F53-K71 HydrophobicContact CE1-CB 4.35Å; F53-K71 HydrophobicContact CZ-CB 4.48Å; F53-Y75 HydrophobicContact CB-CD1 4.18Å; F53-Y75 HydrophobicContact CB-CD2 4.39Å; F53-Y75 HydrophobicContact CB-CE1 3.94Å; F53-Y75 HydrophobicContact CB-CE2 4.17Å; F53-Y75 HydrophobicContact CB-CG 4.4Å; F53-Y75 HydrophobicContact CD1-CD1 4.12Å; F53-Y75 HydrophobicContact CD1-CD2 4.25Å; F53-Y75 AromaticContact CD1-CG 3.87Å; F53-Y75 HydrophobicContact CD1-CG 3.87Å; F53-Y75 AromaticContact CD2-CD2 3.59Å; F53-Y75 HydrophobicContact CD2-CD2 3.59Å; F53-Y75 AromaticContact CD2-CE2 3.82Å; F53-Y75 HydrophobicContact CD2-CE2 3.82Å; F53-Y75 HydrophobicContact CD2-CG 4.07Å; F53-Y75 HydrophobicContact CE1-CD2 4.45Å; F53-Y75 HydrophobicContact CE1-CG 4.1Å; F53-Y75 AromaticContact CE2-CD2 3.84Å; F53-Y75 HydrophobicContact CE2-CD2 3.84Å; F53-Y75 HydrophobicContact CE2-CE2 4.45Å; F53-Y75 HydrophobicContact CE2-CG 4.3Å; F53-Y75 HydrophobicContact CG-CD1 4.07Å; F53-Y75 AromaticContact CG-CD2 3.81Å; F53-Y75 HydrophobicContact CG-CD2 3.81Å; F53-Y75 HydrophobicContact CG-CE1 4.27Å; F53-Y75 HydrophobicContact CG-CE2 4.04Å; F53-Y75 AromaticContact CG-CG 3.83Å; F53-Y75 HydrophobicContact CG-CG 3.83Å; F53-Y75 HydrophobicContact CZ-CD2 4.26Å; F53-Y75 HydrophobicContact CZ-CG 4.31Å
54	G	95.5	Very high	97.9	Very high	34 Å²	34	22 Å²	22	35%	0.351	11%	0.111	S	C	.	.	S	Bend	trans	75.9	-85	-176.4	0	0	0	0	0	111.2	R290	G54-R290 WeakPolarHBondContact O-CD 3.45Å
55	S	97.4	Very high	97.8	Very high	16 Å²	16	24.3 Å²	24.3	11%	0.112	12%	0.122	C	C	.	.			trans	-167	-174.9	175.4	66.7	0	0	0	0	110.8	F53 W57 F58 S286	F53-S55 PolarHBondContact O-N 2.99Å; S55-W57 PolarHBondContact O-N 3.28Å; S55-W57 VanDerWaalsContact O-N 3.11Å; S55-W57 WeakPolarHBondContact OG-CB 3.46Å; S55-W57 PolarHBondContact OG-N 3.49Å; S55-W57 VanDerWaalsContact OG-N 3.1Å; S55-F58 WeakPolarHBondContact O-CB 3.27Å; S55-F58 PolarHBondContact O-N 2.82Å; S55-S286 VanDerWaalsContact CA-OG 3.3Å; S55-S286 WeakPolarHBondContact CA-OG 3.39Å; S55-S286 WeakPolarHBondContact CB-OG 3.39Å
56	E	98.3	Very high	97.7	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.037	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.7	166.8	69.9	-60.6	142.9	0	0	113.5	F48 F58 H121 S286 W287 G288	F48-E56 HydrophobicContact CB-CB 4.41Å; F48-E56 HydrophobicContact CD1-CB 3.82Å; F48-E56 HydrophobicContact CD2-CB 3.57Å; F48-E56 HydrophobicContact CE1-CB 3.96Å; F48-E56 HydrophobicContact CE2-CB 3.69Å; F48-E56 HydrophobicContact CG-CB 3.66Å; F48-E56 HydrophobicContact CZ-CB 3.9Å; E56-F58 PolarHBondContact O-N 3.39Å; E56-H121 WeakPolarHBondContact CG-CE1 3.29Å; E56-H121 WeakPolarHBondContact CG-NE2 3.28Å; E56-S286 PolarHBondContact OE2-OG 2.95Å; E56-W287 HydrophobicContact CG-CB 4.39Å; E56-W287 WeakPolarHBondContact OE2-CA 3.21Å; E56-W287 WeakPolarHBondContact OE2-CB 3.15Å; E56-W287 PolarHBondContact OE2-N 3.28Å; E56-G288 PolarHBondContact OE2-N 3.49Å
57	W	98.3	Very high	97.6	Very high	66 Å²	66	36.4 Å²	36.4	25%	0.25	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	12.9	171.9	-74.4	55.6	0	0	0	114.4	S55 W59 W60 H61 H122 W171 W216	S55-W57 PolarHBondContact O-N 3.28Å; S55-W57 VanDerWaalsContact O-N 3.11Å; S55-W57 WeakPolarHBondContact OG-CB 3.46Å; S55-W57 PolarHBondContact OG-N 3.49Å; S55-W57 VanDerWaalsContact OG-N 3.1Å; W57-W59 VanDerWaalsContact C-N 3.28Å; W57-W59 PolarHBondContact O-N 2.87Å; W57-W59 VanDerWaalsContact O-N 3.15Å; W57-W60 HydrophobicContact CB-CB 4.49Å; W57-W60 HydrophobicContact CE3-CB 3.88Å; W57-W60 AromaticContact CE3-CD1 3.54Å; W57-W60 AromaticContact CE3-CG 3.71Å; W57-W60 HydrophobicContact CE3-CG 3.71Å; W57-W60 AromaticContact CZ3-CD1 3.83Å; W57-W60 HydrophobicContact CZ3-CD2 4.43Å; W57-W60 HydrophobicContact CZ3-CG 4.03Å; W57-W60 WeakPolarHBondContact O-CB 3.45Å; W57-W60 PolarHBondContact O-N 2.97Å; W57-H61 PolarHBondContact O-CD2 2.79Å; W57-H61 PolarHBondContact O-N 2.8Å; W57-H122 AromaticContact CE2-CD2 3.8Å; W57-H122 AromaticContact CZ2-CD2 3.79Å; W57-H122 AromaticContact CZ2-NE2 3.79Å; W57-H122 AromaticContact NE1-CD2 3.76Å; W57-H122 AromaticContact NE1-NE2 3.97Å; W57-W171 HydrophobicContact CB-CH2 4.44Å; W57-W171 HydrophobicContact CB-CZ2 4.46Å; W57-W171 AromaticContact CD2-CZ2 3.85Å; W57-W171 HydrophobicContact CD2-CZ2 3.85Å; W57-W171 HydrophobicContact CE3-CZ2 4.03Å; W57-W171 HydrophobicContact CG-CH2 4.3Å; W57-W171 HydrophobicContact CG-CZ2 4.05Å; W57-W216 HydrophobicContact CH2-CH2 4.18Å; W57-W216 AromaticContact CH2-CZ2 3.96Å; W57-W216 HydrophobicContact CH2-CZ2 3.96Å; W57-W216 HydrophobicContact CZ2-CH2 4Å; W57-W216 HydrophobicContact CZ2-CZ2 4.25Å
58	F	98.4	Very high	97.6	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-49	-45.8	-176.4	-177.3	-99.6	0	0	0	113.6	P51 F53 S55 E56 W60 H61 W62 C72 Y75 M76 Y86 F89	P51-F58 HydrophobicContact CB-CD1 4.15Å; P51-F58 HydrophobicContact CB-CE1 4.05Å; P51-F58 HydrophobicContact CB-CE2 4.41Å; P51-F58 HydrophobicContact CB-CG 4.37Å; P51-F58 HydrophobicContact CB-CZ 4.17Å; P51-F58 HydrophobicContact CG-CD1 3.74Å; P51-F58 HydrophobicContact CG-CE1 4.07Å; P51-F58 HydrophobicContact CG-CG 4.02Å; F53-F58 HydrophobicContact CB-CD2 4.31Å; F53-F58 HydrophobicContact CB-CE2 4.22Å; F53-F58 HydrophobicContact CD1-CD2 4.24Å; F53-F58 AromaticContact CD1-CE2 3.89Å; F53-F58 HydrophobicContact CD1-CE2 3.89Å; F53-F58 VanDerWaalsContact O-CD2 3.25Å; F53-F58 WeakPolarHBondContact O-CD2 3.18Å; S55-F58 WeakPolarHBondContact O-CB 3.27Å; S55-F58 PolarHBondContact O-N 2.82Å; E56-F58 PolarHBondContact O-N 3.39Å; F58-W60 PolarHBondContact O-N 3.26Å; F58-H61 PolarHBondContact O-N 2.96Å; F58-W62 HydrophobicContact CD1-CE3 4.42Å; F58-W62 HydrophobicContact CE1-CB 4.36Å; F58-W62 HydrophobicContact CE1-CD2 4.24Å; F58-W62 AromaticContact CE1-CE3 3.77Å; F58-W62 HydrophobicContact CE1-CE3 3.77Å; F58-W62 HydrophobicContact CE1-CG 4.49Å; F58-W62 HydrophobicContact CE1-CZ3 4.49Å; F58-W62 HydrophobicContact CZ-CB 4.49Å; F58-W62 VanDerWaalsContact O-CB 3.22Å; F58-W62 WeakPolarHBondContact O-CB 3.39Å; F58-W62 PolarHBondContact O-N 3.27Å; F58-C72 HydrophobicContact CE2-CB 4.16Å; F58-Y75 AromaticContact CE2-CD1 3.92Å; F58-Y75 HydrophobicContact CE2-CD1 3.92Å; F58-Y75 HydrophobicContact CE2-CE1 4.35Å; F58-Y75 AromaticContact CZ-CD1 3.93Å; F58-Y75 HydrophobicContact CZ-CD1 3.93Å; F58-Y75 HydrophobicContact CZ-CE1 4.29Å; F58-M76 HydrophobicContact CE1-CG 4.26Å; F58-M76 HydrophobicContact CE1-SD 3.78Å; F58-M76 HydrophobicContact CZ-CG 3.71Å; F58-M76 HydrophobicContact CZ-SD 3.47Å; F58-M76 WeakPolarHBondContact CZ-SD 3.47Å; F58-Y86 HydrophobicContact CD1-CD2 4.25Å; F58-Y86 HydrophobicContact CD1-CE2 4.01Å; F58-F89 HydrophobicContact CD1-CE2 4.49Å; F58-F89 AromaticContact CE1-CE2 3.99Å; F58-F89 HydrophobicContact CE1-CE2 3.99Å; F58-F89 HydrophobicContact CE1-CZ 4.3Å
59	W	98.3	Very high	97.6	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-46.3	178.2	-177.5	81.8	0	0	0	112.1	W57 H61 W62 Q63 G64 Y86 W171 F172	W57-W59 VanDerWaalsContact C-N 3.28Å; W57-W59 PolarHBondContact O-N 2.87Å; W57-W59 VanDerWaalsContact O-N 3.15Å; W59-H61 PolarHBondContact O-N 2.74Å; W59-W62 PolarHBondContact O-N 2.98Å; W59-Q63 HydrophobicContact CZ2-CB 4.26Å; W59-Q63 PolarHBondContact O-N 3Å; W59-G64 VanDerWaalsContact CZ3-CA 3.44Å; W59-G64 PolarHBondContact O-N 3.21Å; W59-Y86 HydrophobicContact CB-CD2 3.87Å; W59-Y86 HydrophobicContact CB-CE1 4.41Å; W59-Y86 HydrophobicContact CB-CE2 3.76Å; W59-Y86 HydrophobicContact CB-CG 4.25Å; W59-Y86 VanDerWaalsContact CD1-CB 3.42Å; W59-Y86 AromaticContact CD1-CD1 3.86Å; W59-Y86 AromaticContact CD1-CD2 3.71Å; W59-Y86 AromaticContact CD1-CG 3.39Å; W59-Y86 HydrophobicContact CG-CD1 4.43Å; W59-Y86 HydrophobicContact CG-CD2 4.22Å; W59-Y86 HydrophobicContact CG-CG 4.17Å; W59-W171 HydrophobicContact CB-CE3 3.9Å; W59-W171 HydrophobicContact CB-CZ3 3.87Å; W59-W171 HydrophobicContact CD2-CB 4.39Å; W59-W171 HydrophobicContact CD2-CE3 4.13Å; W59-W171 HydrophobicContact CE3-CB 3.54Å; W59-W171 AromaticContact CE3-CD2 3.63Å; W59-W171 HydrophobicContact CE3-CD2 3.63Å; W59-W171 AromaticContact CE3-CE3 3.66Å; W59-W171 HydrophobicContact CE3-CE3 3.66Å; W59-W171 AromaticContact CE3-CG 3.6Å; W59-W171 HydrophobicContact CE3-CG 3.6Å; W59-W171 HydrophobicContact CG-CE3 4.24Å; W59-W171 HydrophobicContact CH2-CB 4.02Å; W59-W171 HydrophobicContact CZ3-CB 3.35Å; W59-W171 HydrophobicContact CZ3-CD2 4.22Å; W59-W171 AromaticContact CZ3-CG 3.68Å; W59-W171 HydrophobicContact CZ3-CG 3.68Å; W59-F172 AromaticContact CD1-CE1 3.97Å; W59-F172 AromaticContact CD2-CD1 3.62Å; W59-F172 HydrophobicContact CD2-CD1 3.62Å; W59-F172 AromaticContact CD2-CE1 3.89Å; W59-F172 HydrophobicContact CD2-CE1 3.89Å; W59-F172 AromaticContact CE2-CD1 3.33Å; W59-F172 AromaticContact CE2-CE1 3.88Å; W59-F172 HydrophobicContact CE3-CD1 4.09Å; W59-F172 HydrophobicContact CG-CD1 4.16Å; W59-F172 AromaticContact CG-CE1 3.94Å; W59-F172 HydrophobicContact CG-CE1 3.94Å; W59-F172 HydrophobicContact CH2-CB 4.07Å; W59-F172 HydrophobicContact CH2-CD1 4.03Å; W59-F172 HydrophobicContact CZ2-CB 3.79Å; W59-F172 AromaticContact CZ2-CD1 3.54Å; W59-F172 HydrophobicContact CZ2-CD1 3.54Å; W59-F172 HydrophobicContact CZ2-CG 4.05Å; W59-F172 HydrophobicContact CZ3-CD1 4.31Å; W59-F172 AromaticContact NE1-CD1 3.72Å; W59-F172 AromaticContact NE1-CE1 3.9Å
60	W	98.2	Very high	97.5	Very high	75 Å²	75	45.2 Å²	45.2	28%	0.284	24%	0.242	S	C	.	.	I	π-helix	trans	-60.4	-47.2	179.9	-178.9	-101	0	0	0	111.2	W57 F58 W62 G64 Q65 W171	W57-W60 HydrophobicContact CB-CB 4.49Å; W57-W60 HydrophobicContact CE3-CB 3.88Å; W57-W60 AromaticContact CE3-CD1 3.54Å; W57-W60 AromaticContact CE3-CG 3.71Å; W57-W60 HydrophobicContact CE3-CG 3.71Å; W57-W60 AromaticContact CZ3-CD1 3.83Å; W57-W60 HydrophobicContact CZ3-CD2 4.43Å; W57-W60 HydrophobicContact CZ3-CG 4.03Å; W57-W60 WeakPolarHBondContact O-CB 3.45Å; W57-W60 PolarHBondContact O-N 2.97Å; F58-W60 PolarHBondContact O-N 3.26Å; W60-W62 VanDerWaalsContact C-N 3.32Å; W60-W62 PolarHBondContact O-N 3.13Å; W60-G64 CarbonylContact O-C 3.55Å; W60-G64 WeakPolarHBondContact O-CA 3.37Å; W60-G64 PolarHBondContact O-N 2.86Å; W60-Q65 HydrophobicContact CZ2-CB 4.34Å; W60-Q65 WeakPolarHBondContact O-CG 3.14Å; W60-Q65 PolarHBondContact O-N 2.92Å; W60-W171 HydrophobicContact CB-CD2 4.47Å; W60-W171 HydrophobicContact CB-CH2 4.4Å; W60-W171 HydrophobicContact CB-CZ2 3.81Å; W60-W171 AromaticContact CD2-NE1 3.99Å; W60-W171 AromaticContact CE3-CD1 3.44Å; W60-W171 VanDerWaalsContact CE3-CD1 3.44Å; W60-W171 HydrophobicContact CE3-CG 4.27Å; W60-W171 AromaticContact CE3-NE1 3.53Å; W60-W171 AromaticContact CZ3-CD1 3.94Å
61	H	98.4	Very high	97.5	Very high	52 Å²	52	52 Å²	52	24%	0.241	27%	0.271	C	S	.	.	I	π-helix	trans	-69.3	-29.4	179.7	-65.3	-47.9	0	0	0	113.3	W57 F58 W59 Q65 D69	W57-H61 PolarHBondContact O-CD2 2.79Å; W57-H61 PolarHBondContact O-N 2.8Å; F58-H61 PolarHBondContact O-N 2.96Å; W59-H61 PolarHBondContact O-N 2.74Å; H61-Q65 PolarHBondContact ND1-OE1 3.19Å; H61-D69 HydrophobicContact CB-CB 4.1Å; H61-D69 WeakPolarHBondContact O-CB 3.28Å; H61-D69 PolarHBondContact O-N 2.89Å
62	W	98.1	Very high	97.5	Very high	30 Å²	30	52.1 Å²	52.1	11%	0.114	27%	0.272	C	S	.	.	I	π-helix	trans	-83.1	-40.8	179.1	178.1	32.4	0	0	0	113.7	F58 W59 W60 P68 C72 M76 F84 Y86 F89	F58-W62 HydrophobicContact CD1-CE3 4.42Å; F58-W62 HydrophobicContact CE1-CB 4.36Å; F58-W62 HydrophobicContact CE1-CD2 4.24Å; F58-W62 AromaticContact CE1-CE3 3.77Å; F58-W62 HydrophobicContact CE1-CE3 3.77Å; F58-W62 HydrophobicContact CE1-CG 4.49Å; F58-W62 HydrophobicContact CE1-CZ3 4.49Å; F58-W62 HydrophobicContact CZ-CB 4.49Å; F58-W62 VanDerWaalsContact O-CB 3.22Å; F58-W62 WeakPolarHBondContact O-CB 3.39Å; F58-W62 PolarHBondContact O-N 3.27Å; W59-W62 PolarHBondContact O-N 2.98Å; W60-W62 VanDerWaalsContact C-N 3.32Å; W60-W62 PolarHBondContact O-N 3.13Å; W62-P68 WeakPolarHBondContact O-CB 3.3Å; W62-C72 HydrophobicContact CB-CB 3.93Å; W62-M76 HydrophobicContact CD2-CG 3.76Å; W62-M76 HydrophobicContact CE3-CE 4.45Å; W62-M76 HydrophobicContact CE3-CG 4.32Å; W62-M76 HydrophobicContact CG-CG 4.09Å; W62-M76 HydrophobicContact CH2-CE 3.54Å; W62-M76 HydrophobicContact CH2-CG 4.46Å; W62-M76 HydrophobicContact CZ2-CB 4.28Å; W62-M76 HydrophobicContact CZ2-CE 3.76Å; W62-M76 HydrophobicContact CZ2-CG 3.92Å; W62-M76 HydrophobicContact CZ3-CE 3.91Å; W62-F84 WeakPolarHBondContact CH2-O 3.5Å; W62-Y86 HydrophobicContact CE3-CD2 4.4Å; W62-Y86 HydrophobicContact CZ3-CD2 4.34Å; W62-F89 HydrophobicContact CZ3-CE2 4.31Å
63	Q	96.5	Very high	97.5	Very high	74 Å²	74	55.1 Å²	55.1	35%	0.346	29%	0.29	S	S	.	.	I	π-helix	trans	-132.3	-31.8	-169.5	-60.9	-173.9	-48.1	0	0	113.9	W59 Q66	W59-Q63 HydrophobicContact CZ2-CB 4.26Å; W59-Q63 PolarHBondContact O-N 3Å; Q63-Q66 PolarHBondContact O-NE2 3.13Å
64	G	95.9	Very high	97.5	Very high	20 Å²	20	55.2 Å²	55.2	21%	0.206	30%	0.295	C	S	.	.	I	π-helix	trans	-74.1	-50.1	-173.5	0	0	0	0	0	114.5	W59 W60	W59-G64 VanDerWaalsContact CZ3-CA 3.44Å; W59-G64 PolarHBondContact O-N 3.21Å; W60-G64 CarbonylContact O-C 3.55Å; W60-G64 WeakPolarHBondContact O-CA 3.37Å; W60-G64 PolarHBondContact O-N 2.86Å
65	Q	96.3	Very high	97.6	Very high	54 Å²	54	55.1 Å²	55.1	25%	0.252	29%	0.285	S	S	.	.	S	Bend	trans	-78.6	154.9	-179.4	72.6	176.7	50.1	0	0	112.4	W60 H61 P67	W60-Q65 HydrophobicContact CZ2-CB 4.34Å; W60-Q65 WeakPolarHBondContact O-CG 3.14Å; W60-Q65 PolarHBondContact O-N 2.92Å; H61-Q65 PolarHBondContact ND1-OE1 3.19Å; Q65-P67 PolarHBondContact NE2-O 3.25Å; Q65-P67 CarbonylContact O-C 3.52Å
66	Q	96.5	Very high	97.7	Very high	150 Å²	150	54.8 Å²	54.8	70%	0.701	28%	0.282	S	S	*	.	S	Bend	trans	-127.9	122.3	176.8	-63	-59.3	-36.3	0	0	110.9	Q63	Q63-Q66 PolarHBondContact O-NE2 3.13Å
67	P	96.8	Very high	97.6	Very high	107 Å²	107	58.7 Å²	58.7	70%	0.695	31%	0.309	S	S	*	.	S	Bend	cis	-71.2	154.7	-5.1	31.7	-35.7	0	0	0	112.8	Q65	Q65-P67 PolarHBondContact NE2-O 3.25Å; Q65-P67 CarbonylContact O-C 3.52Å
68	P	97.9	Very high	97.6	Very high	42 Å²	42	63.1 Å²	63.1	27%	0.273	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-56.8	149.7	172.1	-27.7	36.9	0	0	0	113	W62 P70 V73	W62-P68 WeakPolarHBondContact O-CB 3.3Å; P68-P70 VanDerWaalsContact O-CD 3.26Å; P68-P70 WeakPolarHBondContact O-CD 3.22Å; P68-V73 HydrophobicContact CB-CG2 3.7Å
69	D	98.3	Very high	97.6	Very high	46 Å²	46	67.7 Å²	67.7	25%	0.246	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.2	118.2	172.4	-175.4	-20.5	0	0	0	109.7	H61 K71 C72 V73	H61-D69 HydrophobicContact CB-CB 4.1Å; H61-D69 WeakPolarHBondContact O-CB 3.28Å; H61-D69 PolarHBondContact O-N 2.89Å; D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 VanDerWaalsContact O-N 3.09Å; D69-K71 VanDerWaalsContact OD1-CB 3.31Å; D69-K71 WeakPolarHBondContact OD1-CB 3.47Å; D69-K71 PolarHBondContact OD1-N 2.63Å; D69-C72 HydrophobicContact CB-CB 4.32Å; D69-C72 PolarHBondContact O-N 2.83Å; D69-V73 PolarHBondContact O-N 2.96Å; D69-V73 VanDerWaalsContact O-N 3.07Å
70	P	98.2	Very high	97.5	Very high	99 Å²	99	67.9 Å²	67.9	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-56.5	-28	179.1	-25.2	35	0	0	0	113.8	P68 S74	P68-P70 VanDerWaalsContact O-CD 3.26Å; P68-P70 WeakPolarHBondContact O-CD 3.22Å; P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.42Å; P70-S74 PolarHBondContact O-N 3.13Å
71	K	97.6	Very high	97.5	Very high	147 Å²	147	68.4 Å²	68.4	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-67.8	-44.1	176.7	-64.8	176	-177.9	171	0	111.3	F53 D69 S74 Y75	F53-K71 HydrophobicContact CE1-CB 4.35Å; F53-K71 HydrophobicContact CZ-CB 4.48Å; D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 VanDerWaalsContact O-N 3.09Å; D69-K71 VanDerWaalsContact OD1-CB 3.31Å; D69-K71 WeakPolarHBondContact OD1-CB 3.47Å; D69-K71 PolarHBondContact OD1-N 2.63Å; K71-S74 PolarHBondContact O-N 3.25Å; K71-Y75 VanDerWaalsContact O-CB 3.25Å; K71-Y75 WeakPolarHBondContact O-CB 3.28Å; K71-Y75 PolarHBondContact O-N 3.15Å
72	C	97.8	Very high	97.3	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.014	40%	0.399	C	S	.	.	H	α-helix	trans	-67.3	-43.3	177.5	-66.2	0	0	0	0	110.8	F58 W62 D69 S74 Y75 M76	F58-C72 HydrophobicContact CE2-CB 4.16Å; W62-C72 HydrophobicContact CB-CB 3.93Å; D69-C72 HydrophobicContact CB-CB 4.32Å; D69-C72 PolarHBondContact O-N 2.83Å; C72-S74 PolarHBondContact O-N 2.96Å; C72-Y75 PolarHBondContact O-N 2.7Å; C72-M76 WeakPolarHBondContact O-CG 3.4Å; C72-M76 PolarHBondContact O-N 2.81Å
73	V	97.9	Very high	97.2	Very high	63 Å²	63	74.7 Å²	74.7	38%	0.382	43%	0.433	S	S	.	.	H	α-helix	trans	-60.6	-46.3	175.3	176.9	0	0	0	0	111.5	P68 D69 Y75 M76 S77	P68-V73 HydrophobicContact CB-CG2 3.7Å; D69-V73 PolarHBondContact O-N 2.96Å; D69-V73 VanDerWaalsContact O-N 3.07Å; V73-Y75 VanDerWaalsContact C-N 3.34Å; V73-M76 PolarHBondContact O-N 2.79Å; V73-S77 PolarHBondContact O-N 2.66Å; V73-S77 PolarHBondContact O-OG 3.37Å
74	S	98	Very high	97.3	Very high	42 Å²	42	72.7 Å²	72.7	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-37	177.9	-173	0	0	0	0	112.4	P70 K71 C72 S77 K78	P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.42Å; P70-S74 PolarHBondContact O-N 3.13Å; K71-S74 PolarHBondContact O-N 3.25Å; C72-S74 PolarHBondContact O-N 2.96Å; S74-S77 PolarHBondContact O-OG 3.46Å; S74-K78 WeakPolarHBondContact O-CB 3.33Å; S74-K78 WeakPolarHBondContact O-CD 3.48Å; S74-K78 VanDerWaalsContact O-CG 3.23Å; S74-K78 WeakPolarHBondContact O-CG 3.17Å; S74-K78 PolarHBondContact O-N 2.86Å; S74-K78 VanDerWaalsContact OG-CE 3.28Å; S74-K78 WeakPolarHBondContact OG-CE 3.32Å; S74-K78 PolarHBondContact OG-NZ 3.12Å; S74-K78 VanDerWaalsContact OG-NZ 3.11Å
75	Y	97.7	Very high	97.3	Very high	32 Å²	32	73.8 Å²	73.8	13%	0.125	43%	0.427	C	S	.	.	H	α-helix	trans	-62.5	-46.6	174.1	176.5	-97	0	0	0	110.5	P51 F53 F58 K71 C72 V73 K78 N79 Y80	P51-Y75 HydrophobicContact CB-CE1 4.07Å; P51-Y75 PolarHBondContact O-OH 3.36Å; P51-Y75 VanDerWaalsContact O-OH 3.05Å; F53-Y75 HydrophobicContact CB-CD1 4.18Å; F53-Y75 HydrophobicContact CB-CD2 4.39Å; F53-Y75 HydrophobicContact CB-CE1 3.94Å; F53-Y75 HydrophobicContact CB-CE2 4.17Å; F53-Y75 HydrophobicContact CB-CG 4.4Å; F53-Y75 HydrophobicContact CD1-CD1 4.12Å; F53-Y75 HydrophobicContact CD1-CD2 4.25Å; F53-Y75 AromaticContact CD1-CG 3.87Å; F53-Y75 HydrophobicContact CD1-CG 3.87Å; F53-Y75 AromaticContact CD2-CD2 3.59Å; F53-Y75 HydrophobicContact CD2-CD2 3.59Å; F53-Y75 AromaticContact CD2-CE2 3.82Å; F53-Y75 HydrophobicContact CD2-CE2 3.82Å; F53-Y75 HydrophobicContact CD2-CG 4.07Å; F53-Y75 HydrophobicContact CE1-CD2 4.45Å; F53-Y75 HydrophobicContact CE1-CG 4.1Å; F53-Y75 AromaticContact CE2-CD2 3.84Å; F53-Y75 HydrophobicContact CE2-CD2 3.84Å; F53-Y75 HydrophobicContact CE2-CE2 4.45Å; F53-Y75 HydrophobicContact CE2-CG 4.3Å; F53-Y75 HydrophobicContact CG-CD1 4.07Å; F53-Y75 AromaticContact CG-CD2 3.81Å; F53-Y75 HydrophobicContact CG-CD2 3.81Å; F53-Y75 HydrophobicContact CG-CE1 4.27Å; F53-Y75 HydrophobicContact CG-CE2 4.04Å; F53-Y75 AromaticContact CG-CG 3.83Å; F53-Y75 HydrophobicContact CG-CG 3.83Å; F53-Y75 HydrophobicContact CZ-CD2 4.26Å; F53-Y75 HydrophobicContact CZ-CG 4.31Å; F58-Y75 AromaticContact CE2-CD1 3.92Å; F58-Y75 HydrophobicContact CE2-CD1 3.92Å; F58-Y75 HydrophobicContact CE2-CE1 4.35Å; F58-Y75 AromaticContact CZ-CD1 3.93Å; F58-Y75 HydrophobicContact CZ-CD1 3.93Å; F58-Y75 HydrophobicContact CZ-CE1 4.29Å; K71-Y75 VanDerWaalsContact O-CB 3.25Å; K71-Y75 WeakPolarHBondContact O-CB 3.28Å; K71-Y75 PolarHBondContact O-N 3.15Å; C72-Y75 PolarHBondContact O-N 2.7Å; V73-Y75 VanDerWaalsContact C-N 3.34Å; Y75-K78 PolarHBondContact O-N 3.37Å; Y75-N79 WeakPolarHBondContact CD2-ND2 3.48Å; Y75-N79 WeakPolarHBondContact O-CB 3.06Å; Y75-N79 PolarHBondContact O-N 2.86Å; Y75-N79 VanDerWaalsContact O-N 3.16Å; Y75-N79 PolarHBondContact O-ND2 2.95Å; Y75-Y80 HydrophobicContact CD1-CE2 4.35Å; Y75-Y80 AromaticContact CE1-CE2 3.66Å; Y75-Y80 HydrophobicContact CE1-CE2 3.66Å
76	M	98	Very high	97.4	Very high	10 Å²	10	71.2 Å²	71.2	5%	0.049	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-47.2	178.8	-71	-55.5	-66.9	0	0	112.6	F58 W62 C72 V73 K78 N79 Y80 F84 F89	F58-M76 HydrophobicContact CE1-CG 4.26Å; F58-M76 HydrophobicContact CE1-SD 3.78Å; F58-M76 HydrophobicContact CZ-CG 3.71Å; F58-M76 HydrophobicContact CZ-SD 3.47Å; F58-M76 WeakPolarHBondContact CZ-SD 3.47Å; W62-M76 HydrophobicContact CD2-CG 3.76Å; W62-M76 HydrophobicContact CE3-CE 4.45Å; W62-M76 HydrophobicContact CE3-CG 4.32Å; W62-M76 HydrophobicContact CG-CG 4.09Å; W62-M76 HydrophobicContact CH2-CE 3.54Å; W62-M76 HydrophobicContact CH2-CG 4.46Å; W62-M76 HydrophobicContact CZ2-CB 4.28Å; W62-M76 HydrophobicContact CZ2-CE 3.76Å; W62-M76 HydrophobicContact CZ2-CG 3.92Å; W62-M76 HydrophobicContact CZ3-CE 3.91Å; C72-M76 WeakPolarHBondContact O-CG 3.4Å; C72-M76 PolarHBondContact O-N 2.81Å; V73-M76 PolarHBondContact O-N 2.79Å; M76-K78 VanDerWaalsContact C-N 3.26Å; M76-K78 PolarHBondContact O-N 2.7Å; M76-N79 PolarHBondContact O-N 3.25Å; M76-Y80 HydrophobicContact CE-CD1 4.44Å; M76-Y80 HydrophobicContact CE-CD2 3.55Å; M76-Y80 HydrophobicContact CE-CE2 4.22Å; M76-Y80 HydrophobicContact CE-CG 3.67Å; M76-Y80 PolarHBondContact O-N 2.78Å; M76-Y80 HydrophobicContact SD-CD2 3.44Å; M76-Y80 WeakPolarHBondContact SD-CD2 3.33Å; M76-Y80 HydrophobicContact SD-CE2 3.72Å; M76-Y80 HydrophobicContact SD-CG 4.2Å; M76-F84 HydrophobicContact CE-CD1 3.54Å; M76-F84 HydrophobicContact CE-CE1 4.11Å; M76-F84 HydrophobicContact CE-CG 4.37Å; M76-F89 HydrophobicContact CE-CE2 4.06Å; M76-F89 HydrophobicContact CE-CZ 3.67Å; M76-F89 HydrophobicContact SD-CE2 4.35Å; M76-F89 HydrophobicContact SD-CZ 3.81Å
77	S	97.6	Very high	97.4	Very high	89 Å²	89	67 Å²	67	62%	0.622	40%	0.401	S	S	*	.	H	α-helix	trans	-66	-25.6	-178.3	66.1	0	0	0	0	114.3	V73 S74	V73-S77 PolarHBondContact O-N 2.66Å; V73-S77 PolarHBondContact O-OG 3.37Å; S74-S77 PolarHBondContact O-OG 3.46Å
78	K	97.8	Very high	97.4	Very high	160 Å²	160	65.1 Å²	65.1	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-85.9	-29.6	178.4	-72.9	173.2	-178.7	165.9	0	113.7	S74 Y75 M76	S74-K78 WeakPolarHBondContact O-CB 3.33Å; S74-K78 WeakPolarHBondContact O-CD 3.48Å; S74-K78 VanDerWaalsContact O-CG 3.23Å; S74-K78 WeakPolarHBondContact O-CG 3.17Å; S74-K78 PolarHBondContact O-N 2.86Å; S74-K78 VanDerWaalsContact OG-CE 3.28Å; S74-K78 WeakPolarHBondContact OG-CE 3.32Å; S74-K78 PolarHBondContact OG-NZ 3.12Å; S74-K78 VanDerWaalsContact OG-NZ 3.11Å; Y75-K78 PolarHBondContact O-N 3.37Å; M76-K78 VanDerWaalsContact C-N 3.26Å; M76-K78 PolarHBondContact O-N 2.7Å
79	N	97.4	Very high	97.5	Very high	96 Å²	96	63.1 Å²	63.1	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-113.5	-15	-167.9	-61.9	-80.8	0	0	0	113.7	Y75 M76	Y75-N79 WeakPolarHBondContact CD2-ND2 3.48Å; Y75-N79 WeakPolarHBondContact O-CB 3.06Å; Y75-N79 PolarHBondContact O-N 2.86Å; Y75-N79 VanDerWaalsContact O-N 3.16Å; Y75-N79 PolarHBondContact O-ND2 2.95Å; M76-N79 PolarHBondContact O-N 3.25Å
80	Y	97.1	Very high	97.4	Very high	35 Å²	35	60.9 Å²	60.9	14%	0.137	36%	0.36	C	S	.	.	S	Bend	trans	-130.8	149.2	-176.2	-60	-87.1	0	0	0	111.2	Y75 M76 F84 F89	Y75-Y80 HydrophobicContact CD1-CE2 4.35Å; Y75-Y80 AromaticContact CE1-CE2 3.66Å; Y75-Y80 HydrophobicContact CE1-CE2 3.66Å; M76-Y80 HydrophobicContact CE-CD1 4.44Å; M76-Y80 HydrophobicContact CE-CD2 3.55Å; M76-Y80 HydrophobicContact CE-CE2 4.22Å; M76-Y80 HydrophobicContact CE-CG 3.67Å; M76-Y80 PolarHBondContact O-N 2.78Å; M76-Y80 HydrophobicContact SD-CD2 3.44Å; M76-Y80 WeakPolarHBondContact SD-CD2 3.33Å; M76-Y80 HydrophobicContact SD-CE2 3.72Å; M76-Y80 HydrophobicContact SD-CG 4.2Å; Y80-F84 HydrophobicContact CD1-CD1 4.14Å; Y80-F84 HydrophobicContact CD1-CD2 4.07Å; Y80-F84 AromaticContact CD1-CE1 3.96Å; Y80-F84 HydrophobicContact CD1-CE1 3.96Å; Y80-F84 AromaticContact CD1-CE2 3.89Å; Y80-F84 HydrophobicContact CD1-CE2 3.89Å; Y80-F84 HydrophobicContact CD1-CG 4.19Å; Y80-F84 AromaticContact CD1-CZ 3.83Å; Y80-F84 HydrophobicContact CD1-CZ 3.83Å; Y80-F84 HydrophobicContact CE1-CE1 4.43Å; Y80-F84 HydrophobicContact CE1-CZ 4.22Å; Y80-F84 HydrophobicContact CG-CD1 4.29Å; Y80-F84 HydrophobicContact CG-CE1 4.5Å; Y80-F84 HydrophobicContact CG-CG 4.32Å; Y80-F89 HydrophobicContact CD1-CE1 4.09Å; Y80-F89 HydrophobicContact CD1-CZ 4.47Å; Y80-F89 HydrophobicContact CE1-CD1 4.34Å; Y80-F89 AromaticContact CE1-CE1 3.39Å; Y80-F89 HydrophobicContact CE1-CE1 3.39Å; Y80-F89 HydrophobicContact CE1-CZ 4.05Å; Y80-F89 HydrophobicContact CE2-CE1 4.19Å; Y80-F89 HydrophobicContact CE2-CZ 4.16Å; Y80-F89 AromaticContact CZ-CE1 3.44Å; Y80-F89 VanDerWaalsContact CZ-CE1 3.44Å; Y80-F89 AromaticContact CZ-CZ 3.87Å
81	P	97	Very high	97.4	Very high	86 Å²	86	59.2 Å²	59.2	56%	0.558	35%	0.349	S	S	*	.			trans	-64.5	153.8	-179.2	26.4	-34.3	0	0	0	111.9	G83 F84	P81-G83 PolarHBondContact O-N 2.8Å; P81-F84 HydrophobicContact CG-CB 4.35Å; P81-F84 HydrophobicContact CG-CD2 4.13Å; P81-F84 VanDerWaalsContact O-CB 3.25Å; P81-F84 WeakPolarHBondContact O-CB 3.25Å; P81-F84 PolarHBondContact O-N 3.49Å; P81-F84 VanDerWaalsContact O-N 3.15Å
82	P	95.8	Very high	97.4	Very high	135 Å²	135	55.5 Å²	55.5	88%	0.877	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	136.6	170.9	-24.7	34.2	0	0	0	111.5	F84	P82-F84 VanDerWaalsContact C-N 3.33Å
83	G	95.3	Very high	97.5	Very high	79 Å²	79	55.4 Å²	55.4	81%	0.814	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-3.2	-178.3	0	0	0	0	0	115.2	P81 S85	P81-G83 PolarHBondContact O-N 2.8Å; G83-S85 PolarHBondContact O-N 2.75Å
84	F	97.7	Very high	97.3	Very high	33 Å²	33	56.8 Å²	56.8	15%	0.145	34%	0.336	C	S	.	.			trans	-58.6	129.9	173.1	-165.8	-82.6	0	0	0	110.7	W62 M76 Y80 P81 P82 D88 F89 Q92	W62-F84 WeakPolarHBondContact CH2-O 3.5Å; M76-F84 HydrophobicContact CE-CD1 3.54Å; M76-F84 HydrophobicContact CE-CE1 4.11Å; M76-F84 HydrophobicContact CE-CG 4.37Å; Y80-F84 HydrophobicContact CD1-CD1 4.14Å; Y80-F84 HydrophobicContact CD1-CD2 4.07Å; Y80-F84 AromaticContact CD1-CE1 3.96Å; Y80-F84 HydrophobicContact CD1-CE1 3.96Å; Y80-F84 AromaticContact CD1-CE2 3.89Å; Y80-F84 HydrophobicContact CD1-CE2 3.89Å; Y80-F84 HydrophobicContact CD1-CG 4.19Å; Y80-F84 AromaticContact CD1-CZ 3.83Å; Y80-F84 HydrophobicContact CD1-CZ 3.83Å; Y80-F84 HydrophobicContact CE1-CE1 4.43Å; Y80-F84 HydrophobicContact CE1-CZ 4.22Å; Y80-F84 HydrophobicContact CG-CD1 4.29Å; Y80-F84 HydrophobicContact CG-CE1 4.5Å; Y80-F84 HydrophobicContact CG-CG 4.32Å; P81-F84 HydrophobicContact CG-CB 4.35Å; P81-F84 HydrophobicContact CG-CD2 4.13Å; P81-F84 VanDerWaalsContact O-CB 3.25Å; P81-F84 WeakPolarHBondContact O-CB 3.25Å; P81-F84 PolarHBondContact O-N 3.49Å; P81-F84 VanDerWaalsContact O-N 3.15Å; P82-F84 VanDerWaalsContact C-N 3.33Å; F84-D88 HydrophobicContact CD1-CB 4.2Å; F84-D88 HydrophobicContact CD2-CB 3.97Å; F84-D88 HydrophobicContact CE1-CB 3.77Å; F84-D88 HydrophobicContact CE2-CB 3.52Å; F84-D88 HydrophobicContact CG-CB 4.29Å; F84-D88 HydrophobicContact CZ-CB 3.41Å; F84-D88 VanDerWaalsContact CZ-CB 3.41Å; F84-F89 HydrophobicContact CD1-CE2 4.47Å; F84-F89 HydrophobicContact CD1-CZ 4.31Å; F84-F89 AromaticContact CE1-CD1 3.72Å; F84-F89 HydrophobicContact CE1-CD1 3.72Å; F84-F89 AromaticContact CE1-CD2 3.95Å; F84-F89 HydrophobicContact CE1-CD2 3.95Å; F84-F89 AromaticContact CE1-CE1 3.56Å; F84-F89 HydrophobicContact CE1-CE1 3.56Å; F84-F89 AromaticContact CE1-CE2 3.76Å; F84-F89 HydrophobicContact CE1-CE2 3.76Å; F84-F89 AromaticContact CE1-CG 3.93Å; F84-F89 HydrophobicContact CE1-CG 3.93Å; F84-F89 AromaticContact CE1-CZ 3.57Å; F84-F89 HydrophobicContact CE1-CZ 3.57Å; F84-F89 AromaticContact CZ-CD1 3.78Å; F84-F89 HydrophobicContact CZ-CD1 3.78Å; F84-F89 AromaticContact CZ-CE1 3.86Å; F84-F89 HydrophobicContact CZ-CE1 3.86Å; F84-F89 HydrophobicContact CZ-CG 4.23Å; F84-F89 HydrophobicContact CZ-CZ 4.34Å; F84-Q92 VanDerWaalsContact CZ-NE2 3.25Å
85	S	96.5	Very high	97.3	Very high	42 Å²	42	55.2 Å²	55.2	29%	0.294	33%	0.325	S	S	.	.			trans	-110.6	159.8	-178.6	74.3	0	0	0	0	110.9	G83 P87 D88	G83-S85 PolarHBondContact O-N 2.75Å; S85-P87 VanDerWaalsContact C-N 3.35Å; S85-P87 WeakPolarHBondContact OG-CD 3.5Å; S85-D88 WeakPolarHBondContact CA-OD2 3.31Å; S85-D88 WeakPolarHBondContact CB-OD2 3.39Å; S85-D88 PolarHBondContact N-OD2 3.18Å; S85-D88 VanDerWaalsContact O-CB 3.31Å; S85-D88 WeakPolarHBondContact O-CB 3.49Å; S85-D88 PolarHBondContact O-N 2.85Å; S85-D88 VanDerWaalsContact OG-CG 3.25Å; S85-D88 PolarHBondContact OG-OD2 2.85Å
86	Y	97.8	Very high	97.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-60.5	-37.7	179.1	-170.3	-94.7	0	0	0	113.7	V47 F48 F58 W59 W62 D88 F89 E123 W136 F172	V47-Y86 HydrophobicContact CG1-CE1 4.09Å; F48-Y86 PolarHBondContact N-OH 3.15Å; F58-Y86 HydrophobicContact CD1-CD2 4.25Å; F58-Y86 HydrophobicContact CD1-CE2 4.01Å; W59-Y86 HydrophobicContact CB-CD2 3.87Å; W59-Y86 HydrophobicContact CB-CE1 4.41Å; W59-Y86 HydrophobicContact CB-CE2 3.76Å; W59-Y86 HydrophobicContact CB-CG 4.25Å; W59-Y86 VanDerWaalsContact CD1-CB 3.42Å; W59-Y86 AromaticContact CD1-CD1 3.86Å; W59-Y86 AromaticContact CD1-CD2 3.71Å; W59-Y86 AromaticContact CD1-CG 3.39Å; W59-Y86 HydrophobicContact CG-CD1 4.43Å; W59-Y86 HydrophobicContact CG-CD2 4.22Å; W59-Y86 HydrophobicContact CG-CG 4.17Å; W62-Y86 HydrophobicContact CE3-CD2 4.4Å; W62-Y86 HydrophobicContact CZ3-CD2 4.34Å; Y86-D88 PolarHBondContact O-N 3.24Å; Y86-D88 VanDerWaalsContact O-N 3.15Å; Y86-F89 AromaticContact CD2-CD2 3.69Å; Y86-F89 HydrophobicContact CD2-CD2 3.69Å; Y86-F89 AromaticContact CD2-CE2 3.97Å; Y86-F89 HydrophobicContact CD2-CE2 3.97Å; Y86-F89 HydrophobicContact CE2-CD2 4.08Å; Y86-F89 HydrophobicContact CE2-CE2 4.46Å; Y86-F89 HydrophobicContact CG-CD2 4.16Å; Y86-F89 WeakPolarHBondContact O-CB 3.46Å; Y86-F89 WeakPolarHBondContact O-CD2 3.28Å; Y86-F89 PolarHBondContact O-N 2.81Å; Y86-E123 HydrophobicContact CE1-CB 3.74Å; Y86-E123 HydrophobicContact CE1-CG 3.93Å; Y86-W136 HydrophobicContact CD1-CH2 4.19Å; Y86-W136 HydrophobicContact CD1-CZ2 4.25Å; Y86-W136 HydrophobicContact CE1-CH2 4.4Å; Y86-W136 HydrophobicContact CE1-CZ2 4.21Å; Y86-F172 HydrophobicContact CD1-CE1 4.33Å; Y86-F172 HydrophobicContact CD1-CZ 4.24Å
87	P	97	Very high	97.3	Very high	61 Å²	61	64.6 Å²	64.6	40%	0.396	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.4	172.1	-29.4	37.6	0	0	0	115.7	S85 F89 A90 W136	S85-P87 VanDerWaalsContact C-N 3.35Å; S85-P87 WeakPolarHBondContact OG-CD 3.5Å; P87-F89 PolarHBondContact O-N 2.83Å; P87-F89 VanDerWaalsContact O-N 3.14Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.93Å; P87-W136 HydrophobicContact CB-CH2 4.17Å; P87-W136 HydrophobicContact CB-CZ3 3.75Å; P87-W136 HydrophobicContact CG-CH2 4.37Å; P87-W136 HydrophobicContact CG-CZ3 4.3Å
88	D	97.8	Very high	97.4	Very high	68 Å²	68	60.8 Å²	60.8	36%	0.364	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-68.6	-10	177.2	-58.7	-46.8	0	0	0	112.9	F84 S85 Y86 Q92	F84-D88 HydrophobicContact CD1-CB 4.2Å; F84-D88 HydrophobicContact CD2-CB 3.97Å; F84-D88 HydrophobicContact CE1-CB 3.77Å; F84-D88 HydrophobicContact CE2-CB 3.52Å; F84-D88 HydrophobicContact CG-CB 4.29Å; F84-D88 HydrophobicContact CZ-CB 3.41Å; F84-D88 VanDerWaalsContact CZ-CB 3.41Å; S85-D88 WeakPolarHBondContact CA-OD2 3.31Å; S85-D88 WeakPolarHBondContact CB-OD2 3.39Å; S85-D88 PolarHBondContact N-OD2 3.18Å; S85-D88 VanDerWaalsContact O-CB 3.31Å; S85-D88 WeakPolarHBondContact O-CB 3.49Å; S85-D88 PolarHBondContact O-N 2.85Å; S85-D88 VanDerWaalsContact OG-CG 3.25Å; S85-D88 PolarHBondContact OG-OD2 2.85Å; Y86-D88 PolarHBondContact O-N 3.24Å; Y86-D88 VanDerWaalsContact O-N 3.15Å; D88-Q92 PolarHBondContact O-NE2 3.09Å
89	F	98.4	Very high	97.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-77.2	-26.7	169	-70.2	-57.1	0	0	0	113.7	V47 V50 P51 F58 W62 M76 Y80 F84 Y86 P87 Q92 F93	V47-F89 HydrophobicContact CG1-CB 3.43Å; V47-F89 VanDerWaalsContact CG1-CB 3.43Å; V50-F89 HydrophobicContact CB-CB 4.27Å; V50-F89 HydrophobicContact CB-CD1 4.11Å; V50-F89 HydrophobicContact CB-CG 4.47Å; V50-F89 HydrophobicContact CG1-CB 4.34Å; V50-F89 HydrophobicContact CG1-CD1 3.59Å; V50-F89 HydrophobicContact CG1-CE1 4.29Å; V50-F89 HydrophobicContact CG1-CG 4.35Å; P51-F89 HydrophobicContact CB-CE1 4.12Å; P51-F89 HydrophobicContact CB-CE2 4.39Å; P51-F89 HydrophobicContact CB-CZ 3.87Å; P51-F89 HydrophobicContact CG-CD2 4.45Å; P51-F89 HydrophobicContact CG-CE1 4.36Å; P51-F89 HydrophobicContact CG-CE2 4.14Å; P51-F89 HydrophobicContact CG-CZ 4.08Å; F58-F89 HydrophobicContact CD1-CE2 4.49Å; F58-F89 AromaticContact CE1-CE2 3.99Å; F58-F89 HydrophobicContact CE1-CE2 3.99Å; F58-F89 HydrophobicContact CE1-CZ 4.3Å; W62-F89 HydrophobicContact CZ3-CE2 4.31Å; M76-F89 HydrophobicContact CE-CE2 4.06Å; M76-F89 HydrophobicContact CE-CZ 3.67Å; M76-F89 HydrophobicContact SD-CE2 4.35Å; M76-F89 HydrophobicContact SD-CZ 3.81Å; Y80-F89 HydrophobicContact CD1-CE1 4.09Å; Y80-F89 HydrophobicContact CD1-CZ 4.47Å; Y80-F89 HydrophobicContact CE1-CD1 4.34Å; Y80-F89 AromaticContact CE1-CE1 3.39Å; Y80-F89 HydrophobicContact CE1-CE1 3.39Å; Y80-F89 HydrophobicContact CE1-CZ 4.05Å; Y80-F89 HydrophobicContact CE2-CE1 4.19Å; Y80-F89 HydrophobicContact CE2-CZ 4.16Å; Y80-F89 AromaticContact CZ-CE1 3.44Å; Y80-F89 VanDerWaalsContact CZ-CE1 3.44Å; Y80-F89 AromaticContact CZ-CZ 3.87Å; F84-F89 HydrophobicContact CD1-CE2 4.47Å; F84-F89 HydrophobicContact CD1-CZ 4.31Å; F84-F89 AromaticContact CE1-CD1 3.72Å; F84-F89 HydrophobicContact CE1-CD1 3.72Å; F84-F89 AromaticContact CE1-CD2 3.95Å; F84-F89 HydrophobicContact CE1-CD2 3.95Å; F84-F89 AromaticContact CE1-CE1 3.56Å; F84-F89 HydrophobicContact CE1-CE1 3.56Å; F84-F89 AromaticContact CE1-CE2 3.76Å; F84-F89 HydrophobicContact CE1-CE2 3.76Å; F84-F89 AromaticContact CE1-CG 3.93Å; F84-F89 HydrophobicContact CE1-CG 3.93Å; F84-F89 AromaticContact CE1-CZ 3.57Å; F84-F89 HydrophobicContact CE1-CZ 3.57Å; F84-F89 AromaticContact CZ-CD1 3.78Å; F84-F89 HydrophobicContact CZ-CD1 3.78Å; F84-F89 AromaticContact CZ-CE1 3.86Å; F84-F89 HydrophobicContact CZ-CE1 3.86Å; F84-F89 HydrophobicContact CZ-CG 4.23Å; F84-F89 HydrophobicContact CZ-CZ 4.34Å; Y86-F89 AromaticContact CD2-CD2 3.69Å; Y86-F89 HydrophobicContact CD2-CD2 3.69Å; Y86-F89 AromaticContact CD2-CE2 3.97Å; Y86-F89 HydrophobicContact CD2-CE2 3.97Å; Y86-F89 HydrophobicContact CE2-CD2 4.08Å; Y86-F89 HydrophobicContact CE2-CE2 4.46Å; Y86-F89 HydrophobicContact CG-CD2 4.16Å; Y86-F89 WeakPolarHBondContact O-CB 3.46Å; Y86-F89 WeakPolarHBondContact O-CD2 3.28Å; Y86-F89 PolarHBondContact O-N 2.81Å; P87-F89 PolarHBondContact O-N 2.83Å; P87-F89 VanDerWaalsContact O-N 3.14Å; F89-Q92 WeakPolarHBondContact O-CA 3.38Å; F89-Q92 WeakPolarHBondContact O-CB 3.49Å; F89-Q92 PolarHBondContact O-N 3.46Å; F89-F93 PolarHBondContact O-N 2.8Å
90	A	98	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60.4	-42.4	-174.3	0	0	0	0	0	113.6	V47 P87 Q92 F93 F125 W136 G142	V47-A90 HydrophobicContact CG2-CB 4.2Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.93Å; A90-Q92 PolarHBondContact O-N 3.44Å; A90-F93 WeakPolarHBondContact O-CB 3.1Å; A90-F93 PolarHBondContact O-N 3.18Å; A90-F125 HydrophobicContact CB-CD2 4.41Å; A90-F125 HydrophobicContact CB-CE2 4.01Å; A90-W136 HydrophobicContact CB-CE3 4.17Å; A90-W136 HydrophobicContact CB-CH2 4.13Å; A90-W136 HydrophobicContact CB-CZ3 3.52Å; A90-G142 WeakPolarHBondContact O-CA 3.03Å
91	P	97.6	Very high	97.6	Very high	64 Å²	64	54.4 Å²	54.4	42%	0.416	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.7	174.1	-21	32.7	0	0	0	114.4	H94 N141	P91-H94 PolarHBondContact O-CE1 3.2Å; P91-H94 PolarHBondContact O-ND1 3.03Å; P91-N141 WeakPolarHBondContact CA-OD1 3.28Å; P91-N141 WeakPolarHBondContact CG-OD1 3.15Å
92	Q	97.9	Very high	97.7	Very high	69 Å²	69	54.9 Å²	54.9	32%	0.322	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-90.7	-7.9	-179.9	-62.6	176	53.3	0	0	112.7	V50 F84 D88 F89 A90 H94	V50-Q92 HydrophobicContact CG1-CB 3.69Å; V50-Q92 HydrophobicContact CG2-CB 4.47Å; F84-Q92 VanDerWaalsContact CZ-NE2 3.25Å; D88-Q92 PolarHBondContact O-NE2 3.09Å; F89-Q92 WeakPolarHBondContact O-CA 3.38Å; F89-Q92 WeakPolarHBondContact O-CB 3.49Å; F89-Q92 PolarHBondContact O-N 3.46Å; A90-Q92 PolarHBondContact O-N 3.44Å; Q92-H94 VanDerWaalsContact C-N 3.33Å; Q92-H94 PolarHBondContact O-CD2 2.81Å; Q92-H94 VanDerWaalsContact O-CD2 3.26Å; Q92-H94 PolarHBondContact O-N 3.3Å
93	F	98.5	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.			trans	-78.4	85.3	170.8	-178	-126.6	0	0	0	108.6	W45 V47 V50 F89 A90 F125 G142 P143 L147 A326	W45-F93 HydrophobicContact CD2-CE2 4.15Å; W45-F93 AromaticContact CD2-CZ 3.78Å; W45-F93 HydrophobicContact CD2-CZ 3.78Å; W45-F93 AromaticContact CE2-CE2 3.47Å; W45-F93 VanDerWaalsContact CE2-CE2 3.47Å; W45-F93 AromaticContact CE2-CZ 3.46Å; W45-F93 VanDerWaalsContact CE2-CZ 3.46Å; W45-F93 HydrophobicContact CE3-CZ 4.23Å; W45-F93 HydrophobicContact CG-CE2 4.45Å; W45-F93 HydrophobicContact CG-CZ 4.31Å; W45-F93 HydrophobicContact CH2-CZ 4.1Å; W45-F93 AromaticContact CZ2-CE2 3.73Å; W45-F93 HydrophobicContact CZ2-CE2 3.73Å; W45-F93 AromaticContact CZ2-CZ 3.61Å; W45-F93 HydrophobicContact CZ2-CZ 3.61Å; W45-F93 HydrophobicContact CZ3-CZ 4.4Å; W45-F93 AromaticContact NE1-CE2 3.42Å; W45-F93 AromaticContact NE1-CZ 3.86Å; V47-F93 HydrophobicContact CG2-CB 4.48Å; V50-F93 HydrophobicContact CG2-CB 3.7Å; V50-F93 HydrophobicContact CG2-CD2 4.22Å; V50-F93 HydrophobicContact CG2-CG 4.43Å; F89-F93 PolarHBondContact O-N 2.8Å; A90-F93 WeakPolarHBondContact O-CB 3.1Å; A90-F93 PolarHBondContact O-N 3.18Å; F93-F125 AromaticContact CD1-CE1 3.98Å; F93-F125 HydrophobicContact CD1-CE1 3.98Å; F93-F125 HydrophobicContact CD1-CZ 4.19Å; F93-F125 HydrophobicContact CE1-CE1 4.12Å; F93-G142 CarbonylContact O-C 3.54Å; F93-G142 VanDerWaalsContact O-CA 3.24Å; F93-G142 WeakPolarHBondContact O-CA 3.45Å; F93-P143 HydrophobicContact CD1-CG 3.85Å; F93-P143 HydrophobicContact CE1-CG 4Å; F93-P143 WeakPolarHBondContact O-CD 3.43Å; F93-P143 VanDerWaalsContact O-CG 3.24Å; F93-P143 WeakPolarHBondContact O-CG 3.36Å; F93-L147 HydrophobicContact CE1-CD1 3.72Å; F93-L147 HydrophobicContact CZ-CD1 4.04Å; F93-A326 HydrophobicContact CD2-CB 4.22Å
94	H	94.3	Very high	98	Very high	92 Å²	92	45 Å²	45	43%	0.426	23%	0.23	S	C	.	.			trans	-84.8	-31.5	-168.8	-66.4	-56	0	0	0	114.3	P91 Q92 Q96	P91-H94 PolarHBondContact O-CE1 3.2Å; P91-H94 PolarHBondContact O-ND1 3.03Å; Q92-H94 VanDerWaalsContact C-N 3.33Å; Q92-H94 PolarHBondContact O-CD2 2.81Å; Q92-H94 VanDerWaalsContact O-CD2 3.26Å; Q92-H94 PolarHBondContact O-N 3.3Å; H94-Q96 HydrophobicContact CB-CB 4.25Å; H94-Q96 HydrophobicContact CB-CG 4.49Å; H94-Q96 PolarHBondContact O-N 2.8Å
95	A	98.1	Very high	98	Very high	9 Å²	9	47 Å²	47	7%	0.074	24%	0.242	C	C	.	.			trans	49.7	30	-171.2	0	0	0	0	0	113.5	W45 F97 F98 P143 L147 A326 D327	W45-A95 HydrophobicContact CH2-CB 3.51Å; W45-A95 HydrophobicContact CZ2-CB 3.64Å; A95-F97 PolarHBondContact O-N 3.09Å; A95-F97 VanDerWaalsContact O-N 3.16Å; A95-F98 HydrophobicContact CB-CB 3.92Å; A95-F98 VanDerWaalsContact O-CB 3.23Å; A95-F98 WeakPolarHBondContact O-CB 3.38Å; A95-F98 PolarHBondContact O-N 3.16Å; A95-P143 HydrophobicContact CB-CB 3.91Å; A95-P143 HydrophobicContact CB-CG 3.69Å; A95-L147 HydrophobicContact CB-CD2 4.29Å; A95-A326 PolarHBondContact N-O 2.73Å; A95-D327 CarbonylContact C-O 3.38Å; A95-D327 WeakPolarHBondContact CA-O 3.48Å
96	Q	97.8	Very high	98.2	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	-169.7	59.6	178.6	-1.6	0	0	114.7	H94 D327	H94-Q96 HydrophobicContact CB-CB 4.25Å; H94-Q96 HydrophobicContact CB-CG 4.49Å; H94-Q96 PolarHBondContact O-N 2.8Å; Q96-D327 HydrophobicContact CG-CB 3.77Å; Q96-D327 PolarHBondContact N-O 2.74Å; Q96-D327 VanDerWaalsContact N-O 3.08Å; Q96-D327 PolarHBondContact NE2-OD1 2.79Å; Q96-D327 PolarHBondContact NE2-OD2 3.26Å
97	F	98.5	Very high	98.2	Very high	122 Å²	122	45.1 Å²	45.1	54%	0.535	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	12.3	177.4	-54.1	-50.1	0	0	0	112.1	A95 N99 D327 T329	A95-F97 PolarHBondContact O-N 3.09Å; A95-F97 VanDerWaalsContact O-N 3.16Å; F97-N99 PolarHBondContact O-N 3.35Å; F97-N99 VanDerWaalsContact O-N 3.1Å; F97-D327 CarbonylContact C-O 3.57Å; F97-D327 WeakPolarHBondContact CA-O 3.21Å; F97-D327 HydrophobicContact CD2-CB 3.75Å; F97-D327 HydrophobicContact CE2-CB 4.29Å; F97-D327 PolarHBondContact N-O 2.95Å; F97-T329 HydrophobicContact CB-CG2 3.63Å; F97-T329 HydrophobicContact CD2-CG2 4.03Å; F97-T329 HydrophobicContact CG-CG2 4.23Å
98	F	98.8	Very high	98.3	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	23%	0.228	C	C	.	.			trans	-67.5	110.9	174.5	174.3	-123.5	0	0	0	110.6	W45 A95 P100 W103 R145 L147 D150 L151 D327	W45-F98 HydrophobicContact CH2-CB 3.84Å; W45-F98 HydrophobicContact CH2-CD1 4.2Å; W45-F98 AromaticContact CH2-CD2 3.91Å; W45-F98 HydrophobicContact CH2-CD2 3.91Å; W45-F98 AromaticContact CH2-CG 3.7Å; W45-F98 HydrophobicContact CH2-CG 3.7Å; W45-F98 HydrophobicContact CZ2-CB 4.48Å; W45-F98 HydrophobicContact CZ3-CD1 4.41Å; W45-F98 HydrophobicContact CZ3-CD2 4.02Å; W45-F98 HydrophobicContact CZ3-CE2 4.23Å; W45-F98 HydrophobicContact CZ3-CG 4.12Å; A95-F98 HydrophobicContact CB-CB 3.92Å; A95-F98 VanDerWaalsContact O-CB 3.23Å; A95-F98 WeakPolarHBondContact O-CB 3.38Å; A95-F98 PolarHBondContact O-N 3.16Å; F98-P100 HydrophobicContact CE1-CB 4.21Å; F98-P100 HydrophobicContact CE1-CG 4.43Å; F98-P100 HydrophobicContact CE2-CB 4.23Å; F98-P100 HydrophobicContact CZ-CB 3.69Å; F98-P100 HydrophobicContact CZ-CG 4.36Å; F98-W103 HydrophobicContact CD2-CD2 4.08Å; F98-W103 AromaticContact CD2-CE2 3.77Å; F98-W103 HydrophobicContact CD2-CE3 4.39Å; F98-W103 HydrophobicContact CD2-CH2 4.13Å; F98-W103 AromaticContact CD2-CZ2 3.83Å; F98-W103 HydrophobicContact CD2-CZ2 3.83Å; F98-W103 HydrophobicContact CD2-CZ3 4.4Å; F98-W103 AromaticContact CE2-CD2 3.8Å; F98-W103 HydrophobicContact CE2-CD2 3.8Å; F98-W103 AromaticContact CE2-CE2 3.98Å; F98-W103 AromaticContact CE2-CE3 3.8Å; F98-W103 HydrophobicContact CE2-CE3 3.8Å; F98-W103 HydrophobicContact CE2-CG 4.3Å; F98-W103 HydrophobicContact CE2-CH2 4.15Å; F98-W103 HydrophobicContact CE2-CZ2 4.19Å; F98-W103 AromaticContact CE2-CZ3 3.96Å; F98-W103 HydrophobicContact CE2-CZ3 3.96Å; F98-R145 PolarHBondContact O-NH1 3.23Å; F98-R145 VanDerWaalsContact O-NH1 3.16Å; F98-L147 HydrophobicContact CD1-CD2 3.63Å; F98-L147 HydrophobicContact CE1-CB 4.48Å; F98-L147 HydrophobicContact CE1-CD2 3.79Å; F98-D150 HydrophobicContact CE1-CB 4.08Å; F98-L151 HydrophobicContact CZ-CB 4.2Å; F98-D327 PolarHBondContact N-O 3.16Å
99	N	98.8	Very high	98.3	Very high	67 Å²	67	45.1 Å²	45.1	36%	0.358	23%	0.226	S	C	.	.			trans	-116.1	104.6	171.6	-176.5	-6.8	0	0	0	109.3	F97 E101 E102 W103	F97-N99 PolarHBondContact O-N 3.35Å; F97-N99 VanDerWaalsContact O-N 3.1Å; N99-E101 VanDerWaalsContact C-N 3.25Å; N99-E101 PolarHBondContact O-N 3.33Å; N99-E101 WeakPolarHBondContact OD1-CB 3.39Å; N99-E101 PolarHBondContact OD1-N 2.88Å; N99-E102 HydrophobicContact CB-CB 3.89Å; N99-E102 PolarHBondContact O-N 3.31Å; N99-E102 PolarHBondContact OD1-N 2.9Å; N99-W103 PolarHBondContact O-N 3.11Å; N99-W103 VanDerWaalsContact O-N 3.08Å
100	P	98.8	Very high	98.4	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-31.5	-177	26.9	-36	0	0	0	112.5	F98 A104 D150 L151 A154	F98-P100 HydrophobicContact CE1-CB 4.21Å; F98-P100 HydrophobicContact CE1-CG 4.43Å; F98-P100 HydrophobicContact CE2-CB 4.23Å; F98-P100 HydrophobicContact CZ-CB 3.69Å; F98-P100 HydrophobicContact CZ-CG 4.36Å; P100-A104 VanDerWaalsContact O-CB 3.3Å; P100-A104 WeakPolarHBondContact O-CB 3.17Å; P100-A104 PolarHBondContact O-N 3.36Å; P100-D150 HydrophobicContact CB-CB 4.31Å; P100-D150 WeakPolarHBondContact CB-O 3.33Å; P100-D150 HydrophobicContact CG-CB 4.18Å; P100-L151 HydrophobicContact CB-CD1 4.43Å; P100-A154 HydrophobicContact CB-CB 3.79Å; P100-A154 VanDerWaalsContact O-CB 3.31Å; P100-A154 WeakPolarHBondContact O-CB 3.16Å
101	E	98.8	Very high	98.4	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-43.5	178.4	-62.9	-70.2	119.4	0	0	111	N99 A104 D105 A154 R158	N99-E101 VanDerWaalsContact C-N 3.25Å; N99-E101 PolarHBondContact O-N 3.33Å; N99-E101 WeakPolarHBondContact OD1-CB 3.39Å; N99-E101 PolarHBondContact OD1-N 2.88Å; E101-A104 PolarHBondContact O-N 2.99Å; E101-D105 PolarHBondContact O-N 2.83Å; E101-A154 WeakPolarHBondContact OE1-CA 3.27Å; E101-A154 VanDerWaalsContact OE1-CB 3.26Å; E101-A154 WeakPolarHBondContact OE1-CB 3.47Å; E101-R158 PolarHBondContact O-NH2 2.86Å; E101-R158 IonicContact OE1-NH1 3.37Å; E101-R158 PolarHBondContact OE1-NH1 2.97Å; E101-R158 IonicContact OE2-CZ 2.83Å; E101-R158 IonicContact OE2-NH1 3.73Å; E101-R158 PolarHBondContact OE2-NH1 2.73Å; E101-R158 IonicContact OE2-NH2 2.77Å; E101-R158 PolarHBondContact OE2-NH2 2.93Å
102	E	98.8	Very high	98.5	Very high	96 Å²	96	42.7 Å²	42.7	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-42.9	177.2	-175.7	178.6	167	0	0	111.9	N99 A104 D105 I106	N99-E102 HydrophobicContact CB-CB 3.89Å; N99-E102 PolarHBondContact O-N 3.31Å; N99-E102 PolarHBondContact OD1-N 2.9Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.38Å; E102-D105 PolarHBondContact O-N 2.76Å; E102-I106 HydrophobicContact CG-CD1 4.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.47Å; E102-I106 PolarHBondContact O-N 2.89Å
103	W	98.9	Very high	98.5	Very high	6 Å²	6	42.9 Å²	42.9	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-47	173.1	-80.8	33.4	0	0	0	111.3	V43 W45 F98 N99 D105 I106 F107 L151 P324 G328 I330	V43-W103 HydrophobicContact CG1-CH2 4.2Å; V43-W103 HydrophobicContact CG1-CZ3 3.75Å; W45-W103 AromaticContact CD2-CH2 3.75Å; W45-W103 HydrophobicContact CD2-CH2 3.75Å; W45-W103 AromaticContact CE3-CH2 3.58Å; W45-W103 HydrophobicContact CE3-CH2 3.58Å; W45-W103 HydrophobicContact CE3-CZ3 4.13Å; W45-W103 HydrophobicContact CG-CH2 4.25Å; W45-W103 HydrophobicContact CH2-CH2 4.36Å; W45-W103 AromaticContact CZ3-CH2 3.88Å; W45-W103 HydrophobicContact CZ3-CH2 3.88Å; W45-W103 HydrophobicContact CZ3-CZ3 4.43Å; F98-W103 HydrophobicContact CD2-CD2 4.08Å; F98-W103 AromaticContact CD2-CE2 3.77Å; F98-W103 HydrophobicContact CD2-CE3 4.39Å; F98-W103 HydrophobicContact CD2-CH2 4.13Å; F98-W103 AromaticContact CD2-CZ2 3.83Å; F98-W103 HydrophobicContact CD2-CZ2 3.83Å; F98-W103 HydrophobicContact CD2-CZ3 4.4Å; F98-W103 AromaticContact CE2-CD2 3.8Å; F98-W103 HydrophobicContact CE2-CD2 3.8Å; F98-W103 AromaticContact CE2-CE2 3.98Å; F98-W103 AromaticContact CE2-CE3 3.8Å; F98-W103 HydrophobicContact CE2-CE3 3.8Å; F98-W103 HydrophobicContact CE2-CG 4.3Å; F98-W103 HydrophobicContact CE2-CH2 4.15Å; F98-W103 HydrophobicContact CE2-CZ2 4.19Å; F98-W103 AromaticContact CE2-CZ3 3.96Å; F98-W103 HydrophobicContact CE2-CZ3 3.96Å; N99-W103 PolarHBondContact O-N 3.11Å; N99-W103 VanDerWaalsContact O-N 3.08Å; W103-D105 VanDerWaalsContact C-N 3.29Å; W103-D105 PolarHBondContact O-N 3.19Å; W103-I106 WeakPolarHBondContact O-CB 3.35Å; W103-I106 PolarHBondContact O-N 3.42Å; W103-I106 VanDerWaalsContact O-N 3.17Å; W103-F107 HydrophobicContact CB-CE2 3.86Å; W103-F107 HydrophobicContact CB-CZ 4.04Å; W103-F107 HydrophobicContact CD2-CZ 4.25Å; W103-F107 HydrophobicContact CE3-CE2 4.13Å; W103-F107 AromaticContact CE3-CZ 3.87Å; W103-F107 HydrophobicContact CE3-CZ 3.87Å; W103-F107 HydrophobicContact CG-CZ 4.37Å; W103-F107 WeakPolarHBondContact O-CD2 3.48Å; W103-F107 WeakPolarHBondContact O-CG 3.28Å; W103-F107 PolarHBondContact O-N 2.56Å; W103-L151 HydrophobicContact CB-CD1 4.04Å; W103-L151 HydrophobicContact CE3-CD1 4.07Å; W103-L151 HydrophobicContact CE3-CD2 3.98Å; W103-L151 HydrophobicContact CZ3-CD2 4.19Å; W103-P324 HydrophobicContact CH2-CB 3.6Å; W103-P324 HydrophobicContact CH2-CG 3.32Å; W103-P324 HydrophobicContact CZ2-CB 3.47Å; W103-P324 VanDerWaalsContact CZ2-CB 3.47Å; W103-P324 HydrophobicContact CZ2-CG 3.62Å; W103-P324 HydrophobicContact CZ3-CG 4.03Å; W103-G328 WeakPolarHBondContact CZ2-O 3.24Å; W103-G328 PolarHBondContact NE1-O 2.96Å; W103-I330 HydrophobicContact CB-CD1 4.35Å; W103-I330 HydrophobicContact CD2-CD1 3.91Å; W103-I330 HydrophobicContact CD2-CG1 4.19Å; W103-I330 HydrophobicContact CG-CD1 3.74Å; W103-I330 HydrophobicContact CG-CG1 4.35Å; W103-I330 HydrophobicContact CZ2-CG1 4.31Å
104	A	98.9	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-33.2	-179.9	0	0	0	0	0	112.3	P100 E101 E102 F107 K108 A154 V155	P100-A104 VanDerWaalsContact O-CB 3.3Å; P100-A104 WeakPolarHBondContact O-CB 3.17Å; P100-A104 PolarHBondContact O-N 3.36Å; E101-A104 PolarHBondContact O-N 2.99Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.38Å; A104-F107 PolarHBondContact O-N 3.31Å; A104-K108 WeakPolarHBondContact O-CB 3.42Å; A104-K108 PolarHBondContact O-N 2.9Å; A104-A154 HydrophobicContact CB-CB 3.87Å; A104-V155 HydrophobicContact CB-CG2 4.27Å
105	D	98.9	Very high	98.7	Very high	77 Å²	77	38.5 Å²	38.5	41%	0.412	19%	0.192	S	C	.	.	H	α-helix	trans	-67.1	-40.1	172.2	-70	-11.6	0	0	0	112	E101 E102 W103 K108 A109 R158	E101-D105 PolarHBondContact O-N 2.83Å; E102-D105 PolarHBondContact O-N 2.76Å; W103-D105 VanDerWaalsContact C-N 3.29Å; W103-D105 PolarHBondContact O-N 3.19Å; D105-K108 PolarHBondContact O-N 3Å; D105-A109 WeakPolarHBondContact O-CB 3.22Å; D105-A109 PolarHBondContact O-N 3.24Å; D105-R158 IonicContact OD1-CZ 2.75Å; D105-R158 IonicContact OD1-NE 3.49Å; D105-R158 PolarHBondContact OD1-NE 3.49Å; D105-R158 IonicContact OD1-NH2 2.89Å; D105-R158 PolarHBondContact OD1-NH2 2.92Å; D105-R158 IonicContact OD2-NH2 3.96Å
106	I	98.9	Very high	98.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-47.4	173.4	-68.6	164.7	0	0	0	110.4	E102 W103 K108 A109 S110 I330 E335 L338	E102-I106 HydrophobicContact CG-CD1 4.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.47Å; E102-I106 PolarHBondContact O-N 2.89Å; W103-I106 WeakPolarHBondContact O-CB 3.35Å; W103-I106 PolarHBondContact O-N 3.42Å; W103-I106 VanDerWaalsContact O-N 3.17Å; I106-K108 PolarHBondContact O-N 2.77Å; I106-A109 CarbonylContact O-C 3.54Å; I106-A109 PolarHBondContact O-N 2.9Å; I106-S110 PolarHBondContact O-N 2.74Å; I106-I330 HydrophobicContact CD1-CD1 4Å; I106-I330 HydrophobicContact CG2-CD1 4.39Å; I106-E335 HydrophobicContact CD1-CG 3.95Å; I106-E335 HydrophobicContact CG1-CG 3.96Å; I106-E335 HydrophobicContact CG2-CG 4.06Å; I106-L338 HydrophobicContact CG2-CB 4.29Å; I106-L338 HydrophobicContact CG2-CD1 3.76Å
107	F	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-37.6	-179.9	-55.6	-29.5	0	0	0	112.1	I41 V43 W103 A104 S110 A112 V115 L151 V155 L160 V322 I330 L338	I41-F107 HydrophobicContact CB-CD1 4.19Å; I41-F107 HydrophobicContact CG1-CB 4.42Å; I41-F107 HydrophobicContact CG1-CD1 4.09Å; I41-F107 HydrophobicContact CG1-CG 4.46Å; I41-F107 HydrophobicContact CG2-CD1 3.8Å; I41-F107 HydrophobicContact CG2-CE1 3.76Å; I41-F107 HydrophobicContact CG2-CZ 4.43Å; V43-F107 HydrophobicContact CG2-CE1 4.34Å; V43-F107 HydrophobicContact CG2-CE2 4.29Å; V43-F107 HydrophobicContact CG2-CZ 3.71Å; W103-F107 HydrophobicContact CB-CE2 3.86Å; W103-F107 HydrophobicContact CB-CZ 4.04Å; W103-F107 HydrophobicContact CD2-CZ 4.25Å; W103-F107 HydrophobicContact CE3-CE2 4.13Å; W103-F107 AromaticContact CE3-CZ 3.87Å; W103-F107 HydrophobicContact CE3-CZ 3.87Å; W103-F107 HydrophobicContact CG-CZ 4.37Å; W103-F107 WeakPolarHBondContact O-CD2 3.48Å; W103-F107 WeakPolarHBondContact O-CG 3.28Å; W103-F107 PolarHBondContact O-N 2.56Å; A104-F107 PolarHBondContact O-N 3.31Å; F107-S110 PolarHBondContact O-N 2.89Å; F107-S110 PolarHBondContact O-OG 2.74Å; F107-A112 PolarHBondContact O-N 3.38Å; F107-V115 HydrophobicContact CB-CG2 3.9Å; F107-V115 HydrophobicContact CD2-CB 4.47Å; F107-V115 HydrophobicContact CD2-CG1 3.9Å; F107-V115 HydrophobicContact CD2-CG2 3.73Å; F107-V115 HydrophobicContact CE2-CG1 3.91Å; F107-V115 HydrophobicContact CG-CG2 4.02Å; F107-L151 HydrophobicContact CE2-CD1 4.16Å; F107-L151 HydrophobicContact CE2-CD2 4.5Å; F107-V155 HydrophobicContact CD2-CG2 4.45Å; F107-L160 HydrophobicContact CB-CD1 4.22Å; F107-V322 HydrophobicContact CE1-CG2 4.48Å; F107-I330 HydrophobicContact CE1-CD1 3.73Å; F107-I330 HydrophobicContact CZ-CD1 3.95Å; F107-L338 HydrophobicContact CD1-CD1 4.22Å; F107-L338 HydrophobicContact CE1-CD1 4.36Å
108	K	98.9	Very high	98.8	Very high	89 Å²	89	26.8 Å²	26.8	39%	0.387	14%	0.138	S	C	.	.	H	α-helix	trans	-64.6	-45.7	172.9	-177	59.8	170	-151.4	0	111.2	A104 D105 I106 S110 G111 R158 L160	A104-K108 WeakPolarHBondContact O-CB 3.42Å; A104-K108 PolarHBondContact O-N 2.9Å; D105-K108 PolarHBondContact O-N 3Å; I106-K108 PolarHBondContact O-N 2.77Å; K108-S110 PolarHBondContact O-N 3.34Å; K108-G111 PolarHBondContact O-N 2.81Å; K108-G111 VanDerWaalsContact O-N 3.07Å; K108-R158 HydrophobicContact CB-CB 4.26Å; K108-R158 HydrophobicContact CB-CG 4.2Å; K108-R158 HydrophobicContact CD-CB 4.37Å; K108-R158 HydrophobicContact CG-CB 4.38Å; K108-R158 HydrophobicContact CG-CG 4.46Å; K108-R158 PolarHBondContact NZ-O 3.1Å; K108-L160 HydrophobicContact CB-CD1 4.36Å; K108-L160 HydrophobicContact CD-CD2 4.01Å; K108-L160 HydrophobicContact CD-CG 4.42Å
109	A	98.8	Very high	98.8	Very high	39 Å²	39	26.3 Å²	26.3	32%	0.322	14%	0.136	S	C	.	.	H	α-helix	trans	-65.5	-17.3	178.6	0	0	0	0	0	113	D105 I106 G111 R339 G342	D105-A109 WeakPolarHBondContact O-CB 3.22Å; D105-A109 PolarHBondContact O-N 3.24Å; I106-A109 CarbonylContact O-C 3.54Å; I106-A109 PolarHBondContact O-N 2.9Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.82Å; A109-R339 HydrophobicContact CB-CG 4.28Å; A109-R339 VanDerWaalsContact CB-NH1 3.3Å; A109-G342 VanDerWaalsContact O-CA 3.32Å; A109-G342 WeakPolarHBondContact O-CA 3.3Å
110	S	98.8	Very high	98.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.3	173.8	88.8	0	0	0	0	114.2	I106 F107 K108 A112 L338 G342	I106-S110 PolarHBondContact O-N 2.74Å; F107-S110 PolarHBondContact O-N 2.89Å; F107-S110 PolarHBondContact O-OG 2.74Å; K108-S110 PolarHBondContact O-N 3.34Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 2.81Å; S110-A112 PolarHBondContact OG-N 2.78Å; S110-L338 WeakPolarHBondContact CA-O 3.34Å; S110-L338 VanDerWaalsContact CB-O 3.29Å; S110-L338 WeakPolarHBondContact CB-O 3.47Å; S110-G342 WeakPolarHBondContact O-CA 3.07Å; S110-G342 PolarHBondContact O-N 2.76Å
111	G	98.7	Very high	98.8	Very high	13 Å²	13	23 Å²	23	13%	0.134	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	7.5	-173	0	0	0	0	0	113.9	K108 A109 Y353	K108-G111 PolarHBondContact O-N 2.81Å; K108-G111 VanDerWaalsContact O-N 3.07Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.82Å; G111-Y353 WeakPolarHBondContact CA-OH 3.28Å; G111-Y353 PolarHBondContact O-OH 2.94Å
112	A	98.9	Very high	98.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.			trans	-61.7	153.8	175.9	0	0	0	0	0	111.6	V39 I41 F107 S110 L160	V39-A112 WeakPolarHBondContact O-CA 3.47Å; I41-A112 HydrophobicContact CD1-CB 4.32Å; I41-A112 HydrophobicContact CG1-CB 3.71Å; F107-A112 PolarHBondContact O-N 3.38Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 2.81Å; S110-A112 PolarHBondContact OG-N 2.78Å; A112-L160 WeakPolarHBondContact O-CD2 3.49Å
113	K	98.9	Very high	98.8	Very high	73 Å²	73	14.9 Å²	14.9	32%	0.317	8%	0.079	S	C	.	.	S	Bend	trans	-114.4	-14	173.1	-58.6	-58.3	177.1	-170.4	0	112.2	A37 V39 H161 Y353	A37-K113 HydrophobicContact CB-CB 3.68Å; A37-K113 HydrophobicContact CB-CG 4.33Å; A37-K113 WeakPolarHBondContact O-CG 3.4Å; V39-K113 PolarHBondContact O-N 2.86Å; K113-H161 PolarHBondContact O-CD2 3.31Å; K113-H161 PolarHBondContact O-N 3.02Å; K113-Y353 HydrophobicContact CD-CE1 4.31Å; K113-Y353 VanDerWaalsContact CE-CE1 3.47Å; K113-Y353 HydrophobicContact CG-CD1 4.11Å; K113-Y353 HydrophobicContact CG-CE1 3.82Å
114	Y	98.9	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.4	173.7	65.8	-75.8	0	0	0	111.9	W33 Y34 A37 V39 G40 I41 V116 H161 V209 E277 N317 L319	W33-Y114 HydrophobicContact CZ3-CD1 4.5Å; W33-Y114 HydrophobicContact CZ3-CG 4.35Å; Y34-Y114 HydrophobicContact CE2-CE2 4.16Å; A37-Y114 HydrophobicContact CB-CD1 3.97Å; A37-Y114 HydrophobicContact CB-CE1 4.24Å; V39-Y114 VanDerWaalsContact C-CE1 3.45Å; V39-Y114 WeakPolarHBondContact O-CD1 3.27Å; V39-Y114 WeakPolarHBondContact O-CE1 3.44Å; G40-Y114 CarbonylContact C-O 3.59Å; G40-Y114 VanDerWaalsContact CA-CE1 3.42Å; G40-Y114 WeakPolarHBondContact CA-O 3.45Å; I41-Y114 PolarHBondContact N-O 2.76Å; Y114-V116 HydrophobicContact CD2-CG2 4.04Å; Y114-V116 HydrophobicContact CE2-CG2 4.29Å; Y114-H161 CarbonylContact C-O 3.51Å; Y114-H161 WeakPolarHBondContact CA-O 3.4Å; Y114-V209 HydrophobicContact CD2-CG2 4.24Å; Y114-E277 WeakPolarHBondContact CE2-OE2 3.43Å; Y114-E277 PolarHBondContact OH-OE2 2.83Å; Y114-N317 WeakPolarHBondContact OH-CB 3.45Å; Y114-L319 HydrophobicContact CE2-CD1 3.83Å
115	V	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	177.4	-178.9	0	0	0	0	108.7	I41 V43 F107 V155 L160 H161 G163	I41-V115 CarbonylContact O-C 3.41Å; I41-V115 VanDerWaalsContact O-CA 3.29Å; I41-V115 WeakPolarHBondContact O-CA 3.31Å; V43-V115 HydrophobicContact CG2-CG1 4.39Å; F107-V115 HydrophobicContact CB-CG2 3.9Å; F107-V115 HydrophobicContact CD2-CB 4.47Å; F107-V115 HydrophobicContact CD2-CG1 3.9Å; F107-V115 HydrophobicContact CD2-CG2 3.73Å; F107-V115 HydrophobicContact CE2-CG1 3.91Å; F107-V115 HydrophobicContact CG-CG2 4.02Å; V115-V155 HydrophobicContact CB-CG1 4.16Å; V115-V155 HydrophobicContact CB-CG2 4.24Å; V115-V155 HydrophobicContact CG1-CG2 4.45Å; V115-V155 HydrophobicContact CG2-CG1 4.08Å; V115-V155 HydrophobicContact CG2-CG2 4.17Å; V115-L160 HydrophobicContact CG2-CD1 4.22Å; V115-H161 PolarHBondContact N-O 2.91Å; V115-G163 WeakPolarHBondContact O-CA 3.38Å; V115-G163 PolarHBondContact O-N 2.68Å
116	V	98.9	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.1	175.4	-174.1	0	0	0	0	108.6	I41 F42 V43 Y114 G163 V209 W211 L319	I41-V116 PolarHBondContact O-N 2.99Å; F42-V116 CarbonylContact C-O 3.46Å; F42-V116 WeakPolarHBondContact CA-O 3.35Å; F42-V116 HydrophobicContact CD2-CB 3.82Å; F42-V116 HydrophobicContact CD2-CG1 3.87Å; F42-V116 VanDerWaalsContact CD2-O 3.24Å; F42-V116 WeakPolarHBondContact CD2-O 3.2Å; F42-V116 HydrophobicContact CE2-CB 4.09Å; F42-V116 HydrophobicContact CE2-CG1 3.6Å; F42-V116 HydrophobicContact CG-CB 4.35Å; F42-V116 HydrophobicContact CZ-CG1 4.2Å; V43-V116 PolarHBondContact N-O 3.25Å; Y114-V116 HydrophobicContact CD2-CG2 4.04Å; Y114-V116 HydrophobicContact CE2-CG2 4.29Å; V116-G163 WeakPolarHBondContact CA-O 3.34Å; V116-V209 HydrophobicContact CG2-CB 4.37Å; V116-V209 HydrophobicContact CG2-CG1 4.32Å; V116-W211 HydrophobicContact CG1-CB 4.07Å; V116-L319 HydrophobicContact CG2-CD1 4.27Å; V116-L319 HydrophobicContact CG2-CD2 4.35Å
117	L	98.9	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139	174.4	179.2	63.7	0	0	0	110.2	V43 S119 V148 L151 Y162 G163 L164 Y165	V43-L117 HydrophobicContact CB-CD1 3.79Å; V43-L117 HydrophobicContact CG1-CD1 3.79Å; L117-S119 PolarHBondContact O-N 3.02Å; L117-V148 HydrophobicContact CD2-CG2 4.24Å; L117-L151 HydrophobicContact CB-CD2 4.2Å; L117-L151 HydrophobicContact CD1-CD2 4.17Å; L117-L151 HydrophobicContact CD2-CB 4.45Å; L117-L151 HydrophobicContact CD2-CD2 3.87Å; L117-L151 HydrophobicContact CG-CD2 4.28Å; L117-Y162 HydrophobicContact CB-CE2 4.27Å; L117-Y162 WeakPolarHBondContact CD2-OH 3.41Å; L117-G163 PolarHBondContact N-O 2.75Å; L117-G163 VanDerWaalsContact N-O 3.09Å; L117-L164 HydrophobicContact CB-CD2 4.3Å; L117-L164 WeakPolarHBondContact O-CA 3.46Å; L117-Y165 PolarHBondContact O-N 3.47Å
118	T	98.8	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	99	163.9	50.3	0	0	0	0	110	F42 V43 H44 W45 N127 Y165	F42-T118 HydrophobicContact CE2-CG2 4.33Å; V43-T118 WeakPolarHBondContact O-CG2 3.47Å; V43-T118 PolarHBondContact O-N 3.36Å; V43-T118 PolarHBondContact O-OG1 2.95Å; V43-T118 VanDerWaalsContact O-OG1 3.13Å; H44-T118 HydrophobicContact CB-CG2 4.23Å; W45-T118 PolarHBondContact N-OG1 2.86Å; W45-T118 PolarHBondContact O-OG1 2.97Å; T118-N127 PolarHBondContact O-ND2 2.52Å; T118-Y165 HydrophobicContact CG2-CD1 3.67Å; T118-Y165 HydrophobicContact CG2-CE1 4.2Å; T118-Y165 HydrophobicContact CG2-CG 4.09Å
119	S	98.7	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-43.5	171.7	69	0	0	0	0	109.9	L117 T126 N127 W128 Y165	L117-S119 PolarHBondContact O-N 3.02Å; S119-T126 WeakPolarHBondContact O-CA 3.49Å; S119-N127 PolarHBondContact O-N 2.93Å; S119-W128 VanDerWaalsContact C-CZ3 3.49Å; S119-W128 VanDerWaalsContact CB-CZ3 3.48Å; S119-W128 VanDerWaalsContact O-CZ3 3.27Å; S119-W128 WeakPolarHBondContact O-CZ3 3.17Å; S119-Y165 WeakPolarHBondContact CB-O 3.46Å; S119-Y165 PolarHBondContact N-O 3.45Å; S119-Y165 PolarHBondContact OG-O 3.23Å
120	K	98.7	Very high	98.6	Very high	1 Å²	1	6.1 Å²	6.1	0%	0.004	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	128.8	175.8	-171.5	-179.4	70.8	175.3	0	110.1	T126 W128 Y165 S167 E170 E197	K120-T126 HydrophobicContact CB-CG2 4.1Å; K120-T126 HydrophobicContact CD-CG2 3.77Å; K120-T126 HydrophobicContact CG-CG2 3.96Å; K120-W128 HydrophobicContact CB-CH2 4.38Å; K120-W128 HydrophobicContact CB-CZ3 4.08Å; K120-Y165 WeakPolarHBondContact O-CD1 3.33Å; K120-Y165 WeakPolarHBondContact O-CE1 3.32Å; K120-S167 VanDerWaalsContact CE-O 3.31Å; K120-S167 WeakPolarHBondContact CE-O 3.3Å; K120-S167 PolarHBondContact O-N 2.88Å; K120-E170 WeakPolarHBondContact CD-OE1 3.41Å; K120-E170 WeakPolarHBondContact CE-OE1 3.07Å; K120-E170 IonicContact NZ-OE1 2.67Å; K120-E170 PolarHBondContact NZ-OE1 3.29Å; K120-E197 IonicContact NZ-OE2 3.8Å; K120-E197 PolarHBondContact NZ-OE2 2.94Å
121	H	98.8	Very high	98.3	Very high	5 Å²	5	10.5 Å²	10.5	2%	0.023	7%	0.065	C	C	.	.			trans	-101.1	-176	172	-166.6	-102.9	0	0	0	111.2	F48 E56 E123 G124 Y165	F48-H121 HydrophobicContact CE1-CB 3.71Å; F48-H121 AromaticContact CE1-CG 3.83Å; F48-H121 AromaticContact CE1-ND1 3.88Å; E56-H121 WeakPolarHBondContact CG-CE1 3.29Å; E56-H121 WeakPolarHBondContact CG-NE2 3.28Å; H121-E123 IonicContact CG-OE2 3.09Å; H121-E123 IonicContact ND1-OE2 2.99Å; H121-E123 PolarHBondContact ND1-OE2 2.87Å; H121-E123 PolarHBondContact O-N 3.47Å; H121-E123 VanDerWaalsContact O-N 3.17Å; H121-G124 PolarHBondContact O-N 2.9Å; H121-Y165 AromaticContact CD2-CE1 3.87Å
122	H	98.6	Very high	98.2	Very high	2 Å²	2	15 Å²	15	1%	0.009	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	-172.3	-53.2	-32.4	0	0	0	114.6	W57 G124 Y165 S167 Y169 E170 W171 D213 W216	W57-H122 AromaticContact CE2-CD2 3.8Å; W57-H122 AromaticContact CZ2-CD2 3.79Å; W57-H122 AromaticContact CZ2-NE2 3.79Å; W57-H122 AromaticContact NE1-CD2 3.76Å; W57-H122 AromaticContact NE1-NE2 3.97Å; H122-G124 PolarHBondContact O-N 3.25Å; H122-Y165 PolarHBondContact CE1-OH 3.28Å; H122-Y165 VanDerWaalsContact CE1-OH 3.29Å; H122-S167 PolarHBondContact CE1-OG 2.77Å; H122-S167 WeakPolarHBondContact ND1-CB 3.44Å; H122-S167 PolarHBondContact ND1-OG 3.4Å; H122-Y169 HydrophobicContact CB-CE1 4.31Å; H122-Y169 HydrophobicContact CB-CE2 4.35Å; H122-Y169 PolarHBondContact CD2-OH 3.34Å; H122-Y169 AromaticContact CE1-CE1 3.73Å; H122-Y169 AromaticContact CG-CE1 3.75Å; H122-Y169 AromaticContact CG-CZ 3.67Å; H122-Y169 AromaticContact ND1-CE1 3.38Å; H122-Y169 WeakPolarHBondContact ND1-CE1 3.5Å; H122-Y169 AromaticContact ND1-CZ 3.81Å; H122-E170 CarbonylContact O-C 3.44Å; H122-E170 WeakPolarHBondContact O-CA 3.47Å; H122-W171 HydrophobicContact CB-CD2 3.65Å; H122-W171 VanDerWaalsContact CB-CE2 3.42Å; H122-W171 HydrophobicContact CB-CE3 3.92Å; H122-W171 HydrophobicContact CB-CG 4.31Å; H122-W171 HydrophobicContact CB-CH2 3.66Å; H122-W171 HydrophobicContact CB-CZ2 3.45Å; H122-W171 VanDerWaalsContact CB-CZ2 3.45Å; H122-W171 HydrophobicContact CB-CZ3 3.92Å; H122-W171 AromaticContact CD2-CZ2 3.72Å; H122-W171 AromaticContact CG-CZ2 3.98Å; H122-W171 PolarHBondContact O-N 2.9Å; H122-D213 IonicContact CE1-OD2 3.84Å; H122-W216 AromaticContact CE1-CH2 3.99Å; H122-W216 AromaticContact NE2-CH2 3.77Å
123	E	97.8	Very high	98	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.5	171.4	73.9	-91.2	-168.5	0	0	113.7	F48 Y86 H121 F125 W136 W171 F172	F48-E123 VanDerWaalsContact CD1-CD 3.47Å; F48-E123 WeakPolarHBondContact CD1-OE1 3.32Å; F48-E123 VanDerWaalsContact CD1-OE2 3.31Å; F48-E123 WeakPolarHBondContact CD1-OE2 3.46Å; F48-E123 VanDerWaalsContact CE1-OE1 3.29Å; F48-E123 WeakPolarHBondContact CE1-OE1 3.43Å; Y86-E123 HydrophobicContact CE1-CB 3.74Å; Y86-E123 HydrophobicContact CE1-CG 3.93Å; H121-E123 IonicContact CG-OE2 3.09Å; H121-E123 IonicContact ND1-OE2 2.99Å; H121-E123 PolarHBondContact ND1-OE2 2.87Å; H121-E123 PolarHBondContact O-N 3.47Å; H121-E123 VanDerWaalsContact O-N 3.17Å; E123-F125 HydrophobicContact CG-CB 4.05Å; E123-F125 PolarHBondContact O-N 3.45Å; E123-W136 PolarHBondContact O-NE1 2.84Å; E123-W171 HydrophobicContact CB-CE3 3.98Å; E123-W171 HydrophobicContact CB-CZ3 3.98Å; E123-F172 HydrophobicContact CB-CE1 3.9Å; E123-F172 HydrophobicContact CB-CZ 3.98Å; E123-F172 WeakPolarHBondContact O-CZ 3.24Å
124	G	98.2	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.			trans	75.9	2	175.2	0	0	0	0	0	115.8	H121 H122 T126 W136	H121-G124 PolarHBondContact O-N 2.9Å; H122-G124 PolarHBondContact O-N 3.25Å; G124-T126 PolarHBondContact O-N 3.41Å; G124-W136 VanDerWaalsContact C-CD1 3.43Å; G124-W136 VanDerWaalsContact O-CD1 3.28Å
125	F	98.7	Very high	97.5	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	12%	0.123	C	C	.	.			trans	-72	126	175.3	-174.5	-90.2	0	0	0	109.7	V47 A90 F93 E123 W136 N137 S138	V47-F125 HydrophobicContact CG2-CB 3.96Å; V47-F125 HydrophobicContact CG2-CD1 3.71Å; V47-F125 HydrophobicContact CG2-CD2 3.47Å; V47-F125 VanDerWaalsContact CG2-CD2 3.47Å; V47-F125 HydrophobicContact CG2-CE1 3.97Å; V47-F125 HydrophobicContact CG2-CE2 3.74Å; V47-F125 HydrophobicContact CG2-CG 3.43Å; V47-F125 VanDerWaalsContact CG2-CG 3.43Å; V47-F125 HydrophobicContact CG2-CZ 3.97Å; A90-F125 HydrophobicContact CB-CD2 4.41Å; A90-F125 HydrophobicContact CB-CE2 4.01Å; F93-F125 AromaticContact CD1-CE1 3.98Å; F93-F125 HydrophobicContact CD1-CE1 3.98Å; F93-F125 HydrophobicContact CD1-CZ 4.19Å; F93-F125 HydrophobicContact CE1-CE1 4.12Å; E123-F125 HydrophobicContact CG-CB 4.05Å; E123-F125 PolarHBondContact O-N 3.45Å; F125-W136 HydrophobicContact CB-CZ2 4.19Å; F125-W136 AromaticContact CD2-CD2 3.94Å; F125-W136 HydrophobicContact CD2-CD2 3.94Å; F125-W136 HydrophobicContact CD2-CE3 4.2Å; F125-W136 HydrophobicContact CD2-CG 4.26Å; F125-W136 HydrophobicContact CD2-CZ2 4.39Å; F125-W136 VanDerWaalsContact N-NE1 3.14Å; F125-N137 VanDerWaalsContact CE2-C 3.5Å; F125-S138 VanDerWaalsContact CZ-N 3.29Å
126	T	98.8	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-95.4	130.1	179.2	58.8	0	0	0	0	111.1	S119 K120 G124 W128 S130 S133 W136 N137 S138	S119-T126 WeakPolarHBondContact O-CA 3.49Å; K120-T126 HydrophobicContact CB-CG2 4.1Å; K120-T126 HydrophobicContact CD-CG2 3.77Å; K120-T126 HydrophobicContact CG-CG2 3.96Å; G124-T126 PolarHBondContact O-N 3.41Å; T126-W128 HydrophobicContact CG2-CD2 4.46Å; T126-W128 HydrophobicContact CG2-CE3 4.05Å; T126-W128 HydrophobicContact CG2-CH2 3.44Å; T126-W128 VanDerWaalsContact CG2-CH2 3.44Å; T126-W128 HydrophobicContact CG2-CZ2 3.91Å; T126-W128 HydrophobicContact CG2-CZ3 3.52Å; T126-W128 PolarHBondContact O-N 3.34Å; T126-W128 PolarHBondContact OG1-O 3.42Å; T126-S130 WeakPolarHBondContact OG1-CB 3.35Å; T126-S133 WeakPolarHBondContact CG2-OG 3.46Å; T126-S133 PolarHBondContact OG1-OG 2.76Å; T126-W136 PolarHBondContact N-O 3.34Å; T126-N137 CarbonylContact O-C 3.58Å; T126-N137 WeakPolarHBondContact O-CA 3.38Å; T126-N137 WeakPolarHBondContact O-CB 3.49Å; T126-N137 WeakPolarHBondContact OG1-CB 3.35Å; T126-S138 PolarHBondContact O-N 3.42Å
127	N	98.8	Very high	97.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	13%	0.13	C	C	.	.	S	Bend	trans	-75.9	15.5	174.3	-78	-33.6	0	0	0	113.4	W45 T118 S119 S138 L147 V148	W45-N127 PolarHBondContact O-ND2 2.83Å; T118-N127 PolarHBondContact O-ND2 2.52Å; S119-N127 PolarHBondContact O-N 2.93Å; N127-S138 PolarHBondContact O-OG 3.34Å; N127-L147 HydrophobicContact CB-CB 4.31Å; N127-L147 HydrophobicContact CB-CD1 4.29Å; N127-L147 WeakPolarHBondContact O-CB 3.2Å; N127-L147 PolarHBondContact O-N 2.88Å; N127-V148 HydrophobicContact CB-CG2 4.05Å; N127-V148 PolarHBondContact O-N 2.6Å
128	W	98.6	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-142.4	161.9	173.5	81.7	98	0	0	0	110.2	S119 K120 T126 S130 N137 S138 D146 V148 E197 N200 I201 Y205	S119-W128 VanDerWaalsContact C-CZ3 3.49Å; S119-W128 VanDerWaalsContact CB-CZ3 3.48Å; S119-W128 VanDerWaalsContact O-CZ3 3.27Å; S119-W128 WeakPolarHBondContact O-CZ3 3.17Å; K120-W128 HydrophobicContact CB-CH2 4.38Å; K120-W128 HydrophobicContact CB-CZ3 4.08Å; T126-W128 HydrophobicContact CG2-CD2 4.46Å; T126-W128 HydrophobicContact CG2-CE3 4.05Å; T126-W128 HydrophobicContact CG2-CH2 3.44Å; T126-W128 VanDerWaalsContact CG2-CH2 3.44Å; T126-W128 HydrophobicContact CG2-CZ2 3.91Å; T126-W128 HydrophobicContact CG2-CZ3 3.52Å; T126-W128 PolarHBondContact O-N 3.34Å; T126-W128 PolarHBondContact OG1-O 3.42Å; W128-S130 VanDerWaalsContact C-N 3.28Å; W128-S130 PolarHBondContact O-N 3.26Å; W128-N137 VanDerWaalsContact O-CB 3.27Å; W128-N137 WeakPolarHBondContact O-CB 3.39Å; W128-S138 PolarHBondContact N-OG 3.36Å; W128-D146 WeakPolarHBondContact CB-OD1 3.25Å; W128-V148 HydrophobicContact CB-CB 3.98Å; W128-V148 HydrophobicContact CB-CG2 3.91Å; W128-V148 HydrophobicContact CE3-CG2 4.18Å; W128-E197 HydrophobicContact CH2-CB 4.45Å; W128-E197 HydrophobicContact CZ2-CB 4.14Å; W128-E197 HydrophobicContact CZ2-CG 4.19Å; W128-N200 PolarHBondContact NE1-OD1 3.17Å; W128-I201 HydrophobicContact CD2-CG2 4.03Å; W128-I201 HydrophobicContact CE3-CG2 4.22Å; W128-I201 HydrophobicContact CH2-CG2 3.59Å; W128-I201 HydrophobicContact CZ2-CG2 3.34Å; W128-I201 HydrophobicContact CZ3-CG2 4.01Å; W128-Y205 HydrophobicContact CB-CE2 4.1Å; W128-Y205 WeakPolarHBondContact CB-OH 3.11Å; W128-Y205 AromaticContact CD1-CE2 3.84Å; W128-Y205 VanDerWaalsContact CD1-OH 3.27Å; W128-Y205 HydrophobicContact CD2-CE2 4.41Å; W128-Y205 AromaticContact CG-CE2 3.87Å; W128-Y205 HydrophobicContact CG-CE2 3.87Å
129	G	98.1	Very high	97.4	Very high	20 Å²	20	29.8 Å²	29.8	21%	0.206	15%	0.145	C	C	.	.			trans	-70.4	77.4	176.3	0	0	0	0	0	112.5	P131 V139	G129-P131 WeakPolarHBondContact O-CD 3.29Å; G129-V139 VanDerWaalsContact N-CG2 3.33Å
130	S	96.7	Very high	97.3	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.028	16%	0.16	C	C	.	.			trans	-73.7	125.1	177.5	174.9	0	0	0	0	110.5	T126 W128 Y132 S133 E197	T126-S130 WeakPolarHBondContact OG1-CB 3.35Å; W128-S130 VanDerWaalsContact C-N 3.28Å; W128-S130 PolarHBondContact O-N 3.26Å; S130-Y132 PolarHBondContact O-N 3.25Å; S130-Y132 PolarHBondContact OG-N 2.81Å; S130-Y132 VanDerWaalsContact OG-N 3.13Å; S130-S133 WeakPolarHBondContact CB-OG 3.17Å; S130-S133 PolarHBondContact O-N 3.49Å; S130-S133 VanDerWaalsContact O-N 3.1Å; S130-S133 PolarHBondContact OG-N 2.9Å; S130-E197 WeakPolarHBondContact OG-CG 3.4Å; S130-E197 PolarHBondContact OG-OE1 3.37Å
131	P	93.6	Very high	97.3	Very high	92 Å²	92	33.6 Å²	33.6	60%	0.597	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.6	170.9	-22.1	33.7	0	0	0	113.8	G129	G129-P131 WeakPolarHBondContact O-CD 3.29Å
132	Y	95.6	Very high	97.2	Very high	109 Å²	109	34.1 Å²	34.1	43%	0.427	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	1	-177.7	-51.3	-82.1	0	0	0	112.5	S130 Q192 K193 P196 E197	S130-Y132 PolarHBondContact O-N 3.25Å; S130-Y132 PolarHBondContact OG-N 2.81Å; S130-Y132 VanDerWaalsContact OG-N 3.13Å; Y132-Q192 WeakPolarHBondContact CD1-O 3.14Å; Y132-K193 VanDerWaalsContact C-NZ 3.34Å; Y132-K193 WeakPolarHBondContact O-CD 3.32Å; Y132-K193 PolarHBondContact O-NZ 2.95Å; Y132-P196 HydrophobicContact CD1-CB 3.92Å; Y132-P196 HydrophobicContact CD1-CG 4.46Å; Y132-P196 HydrophobicContact CD2-CB 3.86Å; Y132-P196 HydrophobicContact CE1-CB 3.47Å; Y132-P196 VanDerWaalsContact CE1-CB 3.47Å; Y132-P196 HydrophobicContact CE1-CG 4.11Å; Y132-P196 HydrophobicContact CE2-CB 3.41Å; Y132-P196 VanDerWaalsContact CE2-CB 3.41Å; Y132-P196 HydrophobicContact CG-CB 4.11Å; Y132-E197 HydrophobicContact CD2-CG 3.92Å; Y132-E197 HydrophobicContact CG-CG 4.24Å
133	S	94.3	Very high	97.1	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.028	18%	0.178	C	C	.	.	S	Bend	trans	-121	51.1	177.1	-56	0	0	0	0	112	T126 S130 N135 W136 N137 K193 E197	T126-S133 WeakPolarHBondContact CG2-OG 3.46Å; T126-S133 PolarHBondContact OG1-OG 2.76Å; S130-S133 WeakPolarHBondContact CB-OG 3.17Å; S130-S133 PolarHBondContact O-N 3.49Å; S130-S133 VanDerWaalsContact O-N 3.1Å; S130-S133 PolarHBondContact OG-N 2.9Å; S133-N135 PolarHBondContact O-N 2.7Å; S133-N135 VanDerWaalsContact O-N 3.13Å; S133-W136 CarbonylContact O-C 3.56Å; S133-W136 PolarHBondContact O-N 3.17Å; S133-N137 PolarHBondContact O-ND2 2.96Å; S133-K193 PolarHBondContact OG-NZ 3.11Å; S133-E197 PolarHBondContact OG-OE1 3.17Å
134	W	92.4	Very high	97.1	Very high	217 Å²	217	41.7 Å²	41.7	82%	0.822	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	123.5	-175.8	-178.4	75.3	0	0	0	112.3	W136	W134-W136 PolarHBondContact O-N 3.06Å
135	N	95.2	Very high	97.1	Very high	74 Å²	74	45.5 Å²	45.5	40%	0.396	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	7.4	-179.3	-160.6	36.9	0	0	0	116.2	S133 D140	S133-N135 PolarHBondContact O-N 2.7Å; S133-N135 VanDerWaalsContact O-N 3.13Å; N135-D140 PolarHBondContact N-OD2 3.35Å
136	W	97.8	Very high	97.1	Very high	37 Å²	37	46.1 Å²	46.1	14%	0.14	23%	0.225	C	C	.	.	S	Bend	trans	-120.1	49.7	176.7	-163.2	-118.2	0	0	0	110.5	Y86 P87 A90 E123 G124 F125 T126 S133 W134 F172	Y86-W136 HydrophobicContact CD1-CH2 4.19Å; Y86-W136 HydrophobicContact CD1-CZ2 4.25Å; Y86-W136 HydrophobicContact CE1-CH2 4.4Å; Y86-W136 HydrophobicContact CE1-CZ2 4.21Å; P87-W136 HydrophobicContact CB-CH2 4.17Å; P87-W136 HydrophobicContact CB-CZ3 3.75Å; P87-W136 HydrophobicContact CG-CH2 4.37Å; P87-W136 HydrophobicContact CG-CZ3 4.3Å; A90-W136 HydrophobicContact CB-CE3 4.17Å; A90-W136 HydrophobicContact CB-CH2 4.13Å; A90-W136 HydrophobicContact CB-CZ3 3.52Å; E123-W136 PolarHBondContact O-NE1 2.84Å; G124-W136 VanDerWaalsContact C-CD1 3.43Å; G124-W136 VanDerWaalsContact O-CD1 3.28Å; F125-W136 HydrophobicContact CB-CZ2 4.19Å; F125-W136 AromaticContact CD2-CD2 3.94Å; F125-W136 HydrophobicContact CD2-CD2 3.94Å; F125-W136 HydrophobicContact CD2-CE3 4.2Å; F125-W136 HydrophobicContact CD2-CG 4.26Å; F125-W136 HydrophobicContact CD2-CZ2 4.39Å; F125-W136 VanDerWaalsContact N-NE1 3.14Å; T126-W136 PolarHBondContact N-O 3.34Å; S133-W136 CarbonylContact O-C 3.56Å; S133-W136 PolarHBondContact O-N 3.17Å; W134-W136 PolarHBondContact O-N 3.06Å; W136-F172 HydrophobicContact CZ2-CE2 4.32Å; W136-F172 AromaticContact CZ2-CZ 3.92Å; W136-F172 HydrophobicContact CZ2-CZ 3.92Å
137	N	98.6	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-154.1	164.7	-178.6	70.4	75.1	0	0	0	112.5	F125 T126 W128 S133 V139 D140 N141	F125-N137 VanDerWaalsContact CE2-C 3.5Å; T126-N137 CarbonylContact O-C 3.58Å; T126-N137 WeakPolarHBondContact O-CA 3.38Å; T126-N137 WeakPolarHBondContact O-CB 3.49Å; T126-N137 WeakPolarHBondContact OG1-CB 3.35Å; W128-N137 VanDerWaalsContact O-CB 3.27Å; W128-N137 WeakPolarHBondContact O-CB 3.39Å; S133-N137 PolarHBondContact O-ND2 2.96Å; N137-V139 VanDerWaalsContact C-N 3.29Å; N137-V139 PolarHBondContact O-N 3.39Å; N137-V139 WeakPolarHBondContact OD1-CA 2.96Å; N137-V139 WeakPolarHBondContact OD1-CB 3.35Å; N137-V139 PolarHBondContact OD1-N 3.1Å; N137-D140 VanDerWaalsContact ND2-CG 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3Å; N137-D140 PolarHBondContact O-N 3.05Å; N137-D140 PolarHBondContact OD1-N 3.4Å; N137-N141 PolarHBondContact O-N 3.32Å
138	S	98.6	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.2	-174.1	67.2	0	0	0	0	115.3	F125 T126 N127 W128 N141 K144 R145	F125-S138 VanDerWaalsContact CZ-N 3.29Å; T126-S138 PolarHBondContact O-N 3.42Å; N127-S138 PolarHBondContact O-OG 3.34Å; W128-S138 PolarHBondContact N-OG 3.36Å; S138-N141 CarbonylContact C-O 3.49Å; S138-N141 VanDerWaalsContact C-O 3.31Å; S138-N141 WeakPolarHBondContact CA-O 3.48Å; S138-N141 VanDerWaalsContact O-O 3.11Å; S138-K144 VanDerWaalsContact O-CA 3.31Å; S138-K144 WeakPolarHBondContact O-CA 3.47Å; S138-K144 PolarHBondContact O-N 2.91Å; S138-R145 CarbonylContact C-O 3.58Å; S138-R145 WeakPolarHBondContact CB-O 3.4Å; S138-R145 PolarHBondContact O-N 3.25Å; S138-R145 PolarHBondContact OG-O 2.88Å
139	V	98.4	Very high	97.1	Very high	52 Å²	52	49.6 Å²	49.6	32%	0.315	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-43.2	177.2	177.1	0	0	0	0	110.1	G129 N137 K144 R145 D146	G129-V139 VanDerWaalsContact N-CG2 3.33Å; N137-V139 VanDerWaalsContact C-N 3.29Å; N137-V139 PolarHBondContact O-N 3.39Å; N137-V139 WeakPolarHBondContact OD1-CA 2.96Å; N137-V139 WeakPolarHBondContact OD1-CB 3.35Å; N137-V139 PolarHBondContact OD1-N 3.1Å; V139-K144 WeakPolarHBondContact O-CA 3.32Å; V139-K144 VanDerWaalsContact O-CD 3.27Å; V139-K144 WeakPolarHBondContact O-CD 3.2Å; V139-R145 WeakPolarHBondContact CG2-O 3.34Å; V139-D146 HydrophobicContact CG2-CB 4.03Å
140	D	97.9	Very high	97.1	Very high	59 Å²	59	50.9 Å²	50.9	32%	0.316	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.6	179.3	-67.1	-15	0	0	0	112.5	N135 N137 K144	N135-D140 PolarHBondContact N-OD2 3.35Å; N137-D140 VanDerWaalsContact ND2-CG 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3Å; N137-D140 PolarHBondContact O-N 3.05Å; N137-D140 PolarHBondContact OD1-N 3.4Å; D140-K144 PolarHBondContact O-NZ 3.3Å
141	N	97.1	Very high	97.2	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.123	24%	0.242	C	C	.	.	S	Bend	trans	-143.1	153.3	-173.9	-154.7	-15.5	0	0	0	111.7	P91 N137 S138 P143	P91-N141 WeakPolarHBondContact CA-OD1 3.28Å; P91-N141 WeakPolarHBondContact CG-OD1 3.15Å; N137-N141 PolarHBondContact O-N 3.32Å; S138-N141 CarbonylContact C-O 3.49Å; S138-N141 VanDerWaalsContact C-O 3.31Å; S138-N141 WeakPolarHBondContact CA-O 3.48Å; S138-N141 VanDerWaalsContact O-O 3.11Å; N141-P143 WeakPolarHBondContact O-CD 3.47Å
142	G	96.6	Very high	97.5	Very high	15 Å²	15	46.3 Å²	46.3	16%	0.155	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	-109.1	-176.6	0	0	0	0	0	112.8	A90 F93 K144	A90-G142 WeakPolarHBondContact O-CA 3.03Å; F93-G142 CarbonylContact O-C 3.54Å; F93-G142 VanDerWaalsContact O-CA 3.24Å; F93-G142 WeakPolarHBondContact O-CA 3.45Å; G142-K144 VanDerWaalsContact C-N 3.29Å; G142-K144 PolarHBondContact O-N 3.34Å
143	P	97	Very high	97.6	Very high	24 Å²	24	45.4 Å²	45.4	16%	0.156	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.7	-167.2	-25.7	39.4	0	0	0	116.4	F93 A95 N141 R145 L147	F93-P143 HydrophobicContact CD1-CG 3.85Å; F93-P143 HydrophobicContact CE1-CG 4Å; F93-P143 WeakPolarHBondContact O-CD 3.43Å; F93-P143 VanDerWaalsContact O-CG 3.24Å; F93-P143 WeakPolarHBondContact O-CG 3.36Å; A95-P143 HydrophobicContact CB-CB 3.91Å; A95-P143 HydrophobicContact CB-CG 3.69Å; N141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-R145 HydrophobicContact CB-CB 4.01Å; P143-R145 PolarHBondContact O-N 3.42Å; P143-L147 HydrophobicContact CB-CD2 4.32Å; P143-L147 HydrophobicContact CG-CD1 4.26Å
144	K	97.9	Very high	97.9	Very high	140 Å²	140	45.2 Å²	45.2	61%	0.609	21%	0.214	S	C	*	.			trans	55.5	39.1	-170	-50.5	-58	-177.9	169.6	0	112.8	S138 V139 D140 G142	S138-K144 VanDerWaalsContact O-CA 3.31Å; S138-K144 WeakPolarHBondContact O-CA 3.47Å; S138-K144 PolarHBondContact O-N 2.91Å; V139-K144 WeakPolarHBondContact O-CA 3.32Å; V139-K144 VanDerWaalsContact O-CD 3.27Å; V139-K144 WeakPolarHBondContact O-CD 3.2Å; D140-K144 PolarHBondContact O-NZ 3.3Å; G142-K144 VanDerWaalsContact C-N 3.29Å; G142-K144 PolarHBondContact O-N 3.34Å
145	R	98.2	Very high	98.2	Very high	80 Å²	80	34.9 Å²	34.9	30%	0.302	18%	0.175	S	C	.	.	S	Bend	trans	-146	144.2	-168.5	-168.9	170.3	-175.7	-171.5	-3	111.8	F98 S138 V139 P143 L147 D150	F98-R145 PolarHBondContact O-NH1 3.23Å; F98-R145 VanDerWaalsContact O-NH1 3.16Å; S138-R145 CarbonylContact C-O 3.58Å; S138-R145 WeakPolarHBondContact CB-O 3.4Å; S138-R145 PolarHBondContact O-N 3.25Å; S138-R145 PolarHBondContact OG-O 2.88Å; V139-R145 WeakPolarHBondContact CG2-O 3.34Å; P143-R145 HydrophobicContact CB-CB 4.01Å; P143-R145 PolarHBondContact O-N 3.42Å; R145-L147 HydrophobicContact CB-CD2 4.11Å; R145-L147 HydrophobicContact CG-CD2 4.13Å; R145-L147 PolarHBondContact O-N 3.05Å; R145-D150 WeakPolarHBondContact CD-OD2 3.48Å; R145-D150 WeakPolarHBondContact CG-OD2 3.47Å; R145-D150 IonicContact CZ-OD1 2.77Å; R145-D150 IonicContact CZ-OD2 3.81Å; R145-D150 VanDerWaalsContact NE-CG 3.3Å; R145-D150 IonicContact NE-OD1 3.36Å; R145-D150 IonicContact NE-OD2 3.72Å; R145-D150 PolarHBondContact NE-OD2 3.36Å; R145-D150 IonicContact NH2-OD1 3.93Å; R145-D150 PolarHBondContact NH2-OD1 3.46Å; R145-D150 IonicContact NH2-OD2 3.75Å; R145-D150 PolarHBondContact NH2-OD2 3.48Å
146	D	98.7	Very high	98.3	Very high	16 Å²	16	35 Å²	35	9%	0.086	17%	0.17	C	C	.	.			trans	-88.2	88.2	174.6	-163.7	-41.4	0	0	0	109.7	W128 V139 V148 E149 D150 R204 Y205	W128-D146 WeakPolarHBondContact CB-OD1 3.25Å; V139-D146 HydrophobicContact CG2-CB 4.03Å; D146-V148 PolarHBondContact O-N 3.07Å; D146-V148 PolarHBondContact OD1-N 3.48Å; D146-E149 HydrophobicContact CB-CB 4.08Å; D146-E149 PolarHBondContact O-N 2.95Å; D146-E149 PolarHBondContact OD1-N 2.91Å; D146-D150 WeakPolarHBondContact O-CB 3.49Å; D146-D150 PolarHBondContact O-N 2.83Å; D146-D150 VanDerWaalsContact O-N 3.08Å; D146-D150 VanDerWaalsContact O-OD2 3.06Å; D146-R204 IonicContact OD2-CZ 3.85Å; D146-R204 IonicContact OD2-NH1 3.17Å; D146-R204 PolarHBondContact OD2-NH1 3.21Å; D146-R204 IonicContact OD2-NH2 3.81Å; D146-R204 PolarHBondContact OD2-NH2 2.94Å; D146-Y205 PolarHBondContact OD1-OH 3.49Å; D146-Y205 VanDerWaalsContact OD1-OH 3.13Å; D146-Y205 PolarHBondContact OD2-OH 2.88Å
147	L	98.8	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-27.3	-171.5	-52.1	171.1	0	0	0	112.1	W45 F93 A95 F98 N127 P143 R145 L151	W45-L147 HydrophobicContact CE3-CD1 4.2Å; W45-L147 HydrophobicContact CH2-CD1 3.9Å; W45-L147 HydrophobicContact CH2-CD2 4.08Å; W45-L147 HydrophobicContact CZ3-CB 4.17Å; W45-L147 HydrophobicContact CZ3-CD1 3.59Å; W45-L147 HydrophobicContact CZ3-CD2 4.07Å; W45-L147 HydrophobicContact CZ3-CG 4.15Å; F93-L147 HydrophobicContact CE1-CD1 3.72Å; F93-L147 HydrophobicContact CZ-CD1 4.04Å; A95-L147 HydrophobicContact CB-CD2 4.29Å; F98-L147 HydrophobicContact CD1-CD2 3.63Å; F98-L147 HydrophobicContact CE1-CB 4.48Å; F98-L147 HydrophobicContact CE1-CD2 3.79Å; N127-L147 HydrophobicContact CB-CB 4.31Å; N127-L147 HydrophobicContact CB-CD1 4.29Å; N127-L147 WeakPolarHBondContact O-CB 3.2Å; N127-L147 PolarHBondContact O-N 2.88Å; P143-L147 HydrophobicContact CB-CD2 4.32Å; P143-L147 HydrophobicContact CG-CD1 4.26Å; R145-L147 HydrophobicContact CB-CD2 4.11Å; R145-L147 HydrophobicContact CG-CD2 4.13Å; R145-L147 PolarHBondContact O-N 3.05Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 PolarHBondContact O-N 2.9Å; L147-L151 VanDerWaalsContact O-N 3.17Å
148	V	98.9	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-46.9	176.2	174.2	0	0	0	0	110.9	L117 N127 W128 D146 G152 Y162 L164 Y205	L117-V148 HydrophobicContact CD2-CG2 4.24Å; N127-V148 HydrophobicContact CB-CG2 4.05Å; N127-V148 PolarHBondContact O-N 2.6Å; W128-V148 HydrophobicContact CB-CB 3.98Å; W128-V148 HydrophobicContact CB-CG2 3.91Å; W128-V148 HydrophobicContact CE3-CG2 4.18Å; D146-V148 PolarHBondContact O-N 3.07Å; D146-V148 PolarHBondContact OD1-N 3.48Å; V148-G152 PolarHBondContact O-N 2.99Å; V148-Y162 HydrophobicContact CG1-CE1 4.34Å; V148-Y162 PolarHBondContact O-OH 2.59Å; V148-L164 HydrophobicContact CG1-CD1 3.9Å; V148-L164 HydrophobicContact CG1-CD2 3.71Å; V148-L164 HydrophobicContact CG1-CG 4.47Å; V148-L164 HydrophobicContact CG2-CD2 4.5Å; V148-Y205 HydrophobicContact CB-CD2 4.44Å; V148-Y205 HydrophobicContact CB-CE1 4.41Å; V148-Y205 HydrophobicContact CB-CE2 4.2Å; V148-Y205 HydrophobicContact CG1-CD1 3.86Å; V148-Y205 HydrophobicContact CG1-CD2 3.44Å; V148-Y205 VanDerWaalsContact CG1-CD2 3.44Å; V148-Y205 HydrophobicContact CG1-CE1 4.05Å; V148-Y205 HydrophobicContact CG1-CE2 3.66Å; V148-Y205 HydrophobicContact CG1-CG 3.55Å
149	E	98.8	Very high	98.3	Very high	75 Å²	75	45.9 Å²	45.9	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-52.3	177.5	-161.9	154	-124.2	0	0	111.2	D146 L151 G152 D153 R204 Y205	D146-E149 HydrophobicContact CB-CB 4.08Å; D146-E149 PolarHBondContact O-N 2.95Å; D146-E149 PolarHBondContact OD1-N 2.91Å; E149-L151 PolarHBondContact O-N 3.32Å; E149-G152 PolarHBondContact O-N 3.22Å; E149-G152 VanDerWaalsContact O-N 3.15Å; E149-D153 PolarHBondContact O-N 2.86Å; E149-R204 IonicContact OE1-NE 3.35Å; E149-R204 IonicContact OE1-NH2 2.76Å; E149-R204 IonicContact OE2-CZ 3.61Å; E149-R204 IonicContact OE2-NH2 2.7Å; E149-R204 PolarHBondContact OE2-NH2 3.41Å; E149-Y205 HydrophobicContact CB-CD1 4.29Å; E149-Y205 HydrophobicContact CB-CE1 3.73Å; E149-Y205 HydrophobicContact CG-CE1 4.2Å
150	D	98.8	Very high	98.4	Very high	48 Å²	48	43.6 Å²	43.6	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-56.4	-47.7	-177.7	-82.9	-65.1	0	0	0	112.4	F98 P100 R145 D146 A154	F98-D150 HydrophobicContact CE1-CB 4.08Å; P100-D150 HydrophobicContact CB-CB 4.31Å; P100-D150 WeakPolarHBondContact CB-O 3.33Å; P100-D150 HydrophobicContact CG-CB 4.18Å; R145-D150 WeakPolarHBondContact CD-OD2 3.48Å; R145-D150 WeakPolarHBondContact CG-OD2 3.47Å; R145-D150 IonicContact CZ-OD1 2.77Å; R145-D150 IonicContact CZ-OD2 3.81Å; R145-D150 VanDerWaalsContact NE-CG 3.3Å; R145-D150 IonicContact NE-OD1 3.36Å; R145-D150 IonicContact NE-OD2 3.72Å; R145-D150 PolarHBondContact NE-OD2 3.36Å; R145-D150 IonicContact NH2-OD1 3.93Å; R145-D150 PolarHBondContact NH2-OD1 3.46Å; R145-D150 IonicContact NH2-OD2 3.75Å; R145-D150 PolarHBondContact NH2-OD2 3.48Å; D146-D150 WeakPolarHBondContact O-CB 3.49Å; D146-D150 PolarHBondContact O-N 2.83Å; D146-D150 VanDerWaalsContact O-N 3.08Å; D146-D150 VanDerWaalsContact O-OD2 3.06Å; D150-A154 PolarHBondContact O-N 2.98Å
151	L	98.9	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71	-39.9	178.2	-173.1	59.7	0	0	0	111.6	F98 P100 W103 F107 L117 L147 E149 D153 A154 V155 Y162	F98-L151 HydrophobicContact CZ-CB 4.2Å; P100-L151 HydrophobicContact CB-CD1 4.43Å; W103-L151 HydrophobicContact CB-CD1 4.04Å; W103-L151 HydrophobicContact CE3-CD1 4.07Å; W103-L151 HydrophobicContact CE3-CD2 3.98Å; W103-L151 HydrophobicContact CZ3-CD2 4.19Å; F107-L151 HydrophobicContact CE2-CD1 4.16Å; F107-L151 HydrophobicContact CE2-CD2 4.5Å; L117-L151 HydrophobicContact CB-CD2 4.2Å; L117-L151 HydrophobicContact CD1-CD2 4.17Å; L117-L151 HydrophobicContact CD2-CB 4.45Å; L117-L151 HydrophobicContact CD2-CD2 3.87Å; L117-L151 HydrophobicContact CG-CD2 4.28Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 PolarHBondContact O-N 2.9Å; L147-L151 VanDerWaalsContact O-N 3.17Å; E149-L151 PolarHBondContact O-N 3.32Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 3.11Å; L151-A154 PolarHBondContact O-N 3.35Å; L151-V155 HydrophobicContact CD1-CG2 3.95Å; L151-V155 HydrophobicContact CG-CG2 4.02Å; L151-V155 WeakPolarHBondContact O-CB 3.44Å; L151-V155 VanDerWaalsContact O-CG2 3.22Å; L151-V155 WeakPolarHBondContact O-CG2 3.11Å; L151-V155 PolarHBondContact O-N 3.21Å; L151-Y162 HydrophobicContact CD2-CE2 4.34Å; L151-Y162 HydrophobicContact CG-CE2 4.21Å
152	G	98.8	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-43	-179.9	0	0	0	0	0	112.6	V148 E149 R156 Y162	V148-G152 PolarHBondContact O-N 2.99Å; E149-G152 PolarHBondContact O-N 3.22Å; E149-G152 VanDerWaalsContact O-N 3.15Å; G152-R156 WeakPolarHBondContact O-CB 3.01Å; G152-R156 VanDerWaalsContact O-CG 3.28Å; G152-R156 WeakPolarHBondContact O-CG 3.41Å; G152-R156 PolarHBondContact O-N 3.39Å; G152-R156 VanDerWaalsContact O-N 3.1Å; G152-R156 PolarHBondContact O-NH1 3.45Å; G152-Y162 VanDerWaalsContact CA-CE1 3.43Å
153	D	98.8	Very high	98.6	Very high	89 Å²	89	41.3 Å²	41.3	48%	0.476	21%	0.205	S	C	.	.	H	α-helix	trans	-67	-46.2	177.2	-75	-8.6	0	0	0	111.6	E149 L151 V155 R156 N157	E149-D153 PolarHBondContact O-N 2.86Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 3.11Å; D153-V155 PolarHBondContact O-N 3.5Å; D153-R156 PolarHBondContact O-N 2.9Å; D153-N157 VanDerWaalsContact O-CG 3.22Å; D153-N157 PolarHBondContact O-N 3.39Å; D153-N157 PolarHBondContact O-ND2 3.41Å
154	A	98.9	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-43.8	178.1	0	0	0	0	0	112.4	P100 E101 A104 D150 L151 N157 R158	P100-A154 HydrophobicContact CB-CB 3.79Å; P100-A154 VanDerWaalsContact O-CB 3.31Å; P100-A154 WeakPolarHBondContact O-CB 3.16Å; E101-A154 WeakPolarHBondContact OE1-CA 3.27Å; E101-A154 VanDerWaalsContact OE1-CB 3.26Å; E101-A154 WeakPolarHBondContact OE1-CB 3.47Å; A104-A154 HydrophobicContact CB-CB 3.87Å; D150-A154 PolarHBondContact O-N 2.98Å; L151-A154 PolarHBondContact O-N 3.35Å; A154-N157 PolarHBondContact O-N 2.94Å; A154-R158 WeakPolarHBondContact O-CD 3.35Å; A154-R158 PolarHBondContact O-NH1 2.97Å
155	V	98.8	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-46.2	177.8	167.7	0	0	0	0	111	A104 F107 V115 L151 D153 N157 R158 L160 Y162	A104-V155 HydrophobicContact CB-CG2 4.27Å; F107-V155 HydrophobicContact CD2-CG2 4.45Å; V115-V155 HydrophobicContact CB-CG1 4.16Å; V115-V155 HydrophobicContact CB-CG2 4.24Å; V115-V155 HydrophobicContact CG1-CG2 4.45Å; V115-V155 HydrophobicContact CG2-CG1 4.08Å; V115-V155 HydrophobicContact CG2-CG2 4.17Å; L151-V155 HydrophobicContact CD1-CG2 3.95Å; L151-V155 HydrophobicContact CG-CG2 4.02Å; L151-V155 WeakPolarHBondContact O-CB 3.44Å; L151-V155 VanDerWaalsContact O-CG2 3.22Å; L151-V155 WeakPolarHBondContact O-CG2 3.11Å; L151-V155 PolarHBondContact O-N 3.21Å; D153-V155 PolarHBondContact O-N 3.5Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 PolarHBondContact O-N 3.41Å; V155-R158 PolarHBondContact O-N 3.16Å; V155-L160 HydrophobicContact CG1-CB 3.55Å; V155-L160 HydrophobicContact CG1-CD1 4.39Å; V155-L160 PolarHBondContact O-N 2.92Å; V155-Y162 HydrophobicContact CB-CD2 4.16Å; V155-Y162 HydrophobicContact CG1-CD2 4.05Å; V155-Y162 HydrophobicContact CG1-CG 4.47Å; V155-Y162 HydrophobicContact CG2-CD2 4.26Å
156	R	98.6	Very high	98.8	Very high	78 Å²	78	29.8 Å²	29.8	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-63.6	-36.2	178	-74.3	179.2	-173.3	102	8.2	112.8	G152 D153 R158 S159 Y205 R206	G152-R156 WeakPolarHBondContact O-CB 3.01Å; G152-R156 VanDerWaalsContact O-CG 3.28Å; G152-R156 WeakPolarHBondContact O-CG 3.41Å; G152-R156 PolarHBondContact O-N 3.39Å; G152-R156 VanDerWaalsContact O-N 3.1Å; G152-R156 PolarHBondContact O-NH1 3.45Å; D153-R156 PolarHBondContact O-N 2.9Å; R156-R158 PolarHBondContact O-N 3.34Å; R156-R158 VanDerWaalsContact O-N 3.11Å; R156-S159 WeakPolarHBondContact O-CA 3.25Å; R156-S159 PolarHBondContact O-N 2.83Å; R156-Y205 PolarHBondContact NH2-O 2.87Å; R156-R206 PolarHBondContact NH2-O 2.88Å
157	N	98.6	Very high	98.7	Very high	119 Å²	119	29 Å²	29	64%	0.636	15%	0.15	S	C	*	.	H	α-helix	trans	-61.5	-17.7	175.1	-71.5	-20.2	0	0	0	113.1	D153 A154 V155	D153-N157 VanDerWaalsContact O-CG 3.22Å; D153-N157 PolarHBondContact O-N 3.39Å; D153-N157 PolarHBondContact O-ND2 3.41Å; A154-N157 PolarHBondContact O-N 2.94Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 PolarHBondContact O-N 3.41Å
158	R	98.6	Very high	98.7	Very high	40 Å²	40	29 Å²	29	15%	0.151	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	12.9	173	-74.7	80.2	176.8	148.2	9	113.5	E101 D105 K108 A154 V155 R156 L160	E101-R158 PolarHBondContact O-NH2 2.86Å; E101-R158 IonicContact OE1-NH1 3.37Å; E101-R158 PolarHBondContact OE1-NH1 2.97Å; E101-R158 IonicContact OE2-CZ 2.83Å; E101-R158 IonicContact OE2-NH1 3.73Å; E101-R158 PolarHBondContact OE2-NH1 2.73Å; E101-R158 IonicContact OE2-NH2 2.77Å; E101-R158 PolarHBondContact OE2-NH2 2.93Å; D105-R158 IonicContact OD1-CZ 2.75Å; D105-R158 IonicContact OD1-NE 3.49Å; D105-R158 PolarHBondContact OD1-NE 3.49Å; D105-R158 IonicContact OD1-NH2 2.89Å; D105-R158 PolarHBondContact OD1-NH2 2.92Å; D105-R158 IonicContact OD2-NH2 3.96Å; K108-R158 HydrophobicContact CB-CB 4.26Å; K108-R158 HydrophobicContact CB-CG 4.2Å; K108-R158 HydrophobicContact CD-CB 4.37Å; K108-R158 HydrophobicContact CG-CB 4.38Å; K108-R158 HydrophobicContact CG-CG 4.46Å; K108-R158 PolarHBondContact NZ-O 3.1Å; A154-R158 WeakPolarHBondContact O-CD 3.35Å; A154-R158 PolarHBondContact O-NH1 2.97Å; V155-R158 PolarHBondContact O-N 3.16Å; R156-R158 PolarHBondContact O-N 3.34Å; R156-R158 VanDerWaalsContact O-N 3.11Å; R158-L160 HydrophobicContact CB-CD1 4.29Å; R158-L160 HydrophobicContact CB-CG 4.14Å; R158-L160 PolarHBondContact O-N 3.2Å
159	S	98	Very high	98.7	Very high	105 Å²	105	29.2 Å²	29.2	73%	0.734	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	39.5	-174.8	-48.2	0	0	0	0	112.4	R156	R156-S159 WeakPolarHBondContact O-CA 3.25Å; R156-S159 PolarHBondContact O-N 2.83Å
160	L	98.8	Very high	98.6	Very high	5 Å²	5	26 Å²	26	3%	0.026	14%	0.136	C	C	.	.			trans	-102.8	143.2	172.3	-60.5	179.1	0	0	0	108.8	F107 K108 A112 V115 V155 R158	F107-L160 HydrophobicContact CB-CD1 4.22Å; K108-L160 HydrophobicContact CB-CD1 4.36Å; K108-L160 HydrophobicContact CD-CD2 4.01Å; K108-L160 HydrophobicContact CD-CG 4.42Å; A112-L160 WeakPolarHBondContact O-CD2 3.49Å; V115-L160 HydrophobicContact CG2-CD1 4.22Å; V155-L160 HydrophobicContact CG1-CB 3.55Å; V155-L160 HydrophobicContact CG1-CD1 4.39Å; V155-L160 PolarHBondContact O-N 2.92Å; R158-L160 HydrophobicContact CB-CD1 4.29Å; R158-L160 HydrophobicContact CB-CG 4.14Å; R158-L160 PolarHBondContact O-N 3.2Å
161	H	98.9	Very high	98.6	Very high	48 Å²	48	24.3 Å²	24.3	22%	0.222	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.8	171.2	-63.4	-80.4	0	0	0	109.7	W33 K113 Y114 V115 E208	W33-H161 AromaticContact CD2-CD2 3.79Å; W33-H161 AromaticContact CD2-CE1 3.61Å; W33-H161 AromaticContact CD2-CG 3.92Å; W33-H161 AromaticContact CD2-ND1 3.83Å; W33-H161 AromaticContact CD2-NE2 3.6Å; W33-H161 HydrophobicContact CE3-CB 4.15Å; W33-H161 AromaticContact CE3-CD2 3.16Å; W33-H161 AromaticContact CE3-CE1 3.82Å; W33-H161 AromaticContact CE3-CG 3.49Å; W33-H161 VanDerWaalsContact CE3-CG 3.49Å; W33-H161 AromaticContact CE3-ND1 3.9Å; W33-H161 AromaticContact CE3-NE2 3.41Å; W33-H161 AromaticContact CG-CE1 3.68Å; W33-H161 AromaticContact CG-NE2 3.76Å; W33-H161 HydrophobicContact CH2-CB 3.86Å; W33-H161 HydrophobicContact CZ3-CB 3.67Å; W33-H161 AromaticContact CZ3-CD2 3.55Å; W33-H161 AromaticContact CZ3-CG 3.55Å; K113-H161 PolarHBondContact O-CD2 3.31Å; K113-H161 PolarHBondContact O-N 3.02Å; Y114-H161 CarbonylContact C-O 3.51Å; Y114-H161 WeakPolarHBondContact CA-O 3.4Å; V115-H161 PolarHBondContact N-O 2.91Å; H161-E208 WeakPolarHBondContact CA-OE2 3.32Å; H161-E208 HydrophobicContact CB-CB 4.44Å; H161-E208 WeakPolarHBondContact CB-OE2 3.21Å; H161-E208 IonicContact CE1-OE1 2.61Å; H161-E208 PolarHBondContact CE1-OE1 2.93Å; H161-E208 IonicContact CE1-OE2 2.85Å; H161-E208 IonicContact CG-OE2 3.56Å; H161-E208 IonicContact ND1-OE1 2.74Å; H161-E208 PolarHBondContact ND1-OE1 2.83Å; H161-E208 IonicContact ND1-OE2 2.86Å; H161-E208 PolarHBondContact ND1-OE2 3.09Å
162	Y	98.9	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.7	-179	-174.9	-119.3	0	0	0	110.7	L117 V148 L151 G152 V155 L164 P207 E208	L117-Y162 HydrophobicContact CB-CE2 4.27Å; L117-Y162 WeakPolarHBondContact CD2-OH 3.41Å; V148-Y162 HydrophobicContact CG1-CE1 4.34Å; V148-Y162 PolarHBondContact O-OH 2.59Å; L151-Y162 HydrophobicContact CD2-CE2 4.34Å; L151-Y162 HydrophobicContact CG-CE2 4.21Å; G152-Y162 VanDerWaalsContact CA-CE1 3.43Å; V155-Y162 HydrophobicContact CB-CD2 4.16Å; V155-Y162 HydrophobicContact CG1-CD2 4.05Å; V155-Y162 HydrophobicContact CG1-CG 4.47Å; V155-Y162 HydrophobicContact CG2-CD2 4.26Å; Y162-L164 HydrophobicContact CE1-CD2 3.71Å; Y162-L164 HydrophobicContact CE1-CG 4.25Å; Y162-L164 WeakPolarHBondContact OH-CD2 3.47Å; Y162-P207 CarbonylContact O-C 3.57Å; Y162-P207 VanDerWaalsContact O-CA 3.25Å; Y162-P207 WeakPolarHBondContact O-CA 3.17Å; Y162-E208 PolarHBondContact O-N 3.44Å
163	G	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159.6	-177.7	0	0	0	0	0	111.8	V115 V116 L117 V209	V115-G163 WeakPolarHBondContact O-CA 3.38Å; V115-G163 PolarHBondContact O-N 2.68Å; V116-G163 WeakPolarHBondContact CA-O 3.34Å; L117-G163 PolarHBondContact N-O 2.75Å; L117-G163 VanDerWaalsContact N-O 3.09Å; G163-V209 CarbonylContact C-O 3.5Å; G163-V209 WeakPolarHBondContact CA-O 3.28Å
164	L	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130	177.7	-64.1	176.1	0	0	0	110.2	L117 V148 Y162 I201 Y205 P207 V209 I210 W211	L117-L164 HydrophobicContact CB-CD2 4.3Å; L117-L164 WeakPolarHBondContact O-CA 3.46Å; V148-L164 HydrophobicContact CG1-CD1 3.9Å; V148-L164 HydrophobicContact CG1-CD2 3.71Å; V148-L164 HydrophobicContact CG1-CG 4.47Å; V148-L164 HydrophobicContact CG2-CD2 4.5Å; Y162-L164 HydrophobicContact CE1-CD2 3.71Å; Y162-L164 HydrophobicContact CE1-CG 4.25Å; Y162-L164 WeakPolarHBondContact OH-CD2 3.47Å; L164-I201 HydrophobicContact CB-CD1 4.49Å; L164-I201 HydrophobicContact CD1-CB 3.94Å; L164-I201 HydrophobicContact CD1-CD1 4.28Å; L164-I201 HydrophobicContact CD1-CG1 4.45Å; L164-Y205 HydrophobicContact CD1-CD2 4.11Å; L164-Y205 HydrophobicContact CD1-CG 4.49Å; L164-P207 HydrophobicContact CB-CB 4.33Å; L164-P207 HydrophobicContact CD1-CB 4.17Å; L164-P207 HydrophobicContact CD1-CG 4.16Å; L164-P207 HydrophobicContact CG-CB 3.98Å; L164-P207 HydrophobicContact CG-CG 4.44Å; L164-V209 PolarHBondContact N-O 2.94Å; L164-I210 WeakPolarHBondContact O-CA 3.47Å; L164-W211 PolarHBondContact O-N 2.93Å
165	Y	98.9	Very high	98.3	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.4	162.1	167.6	-79.3	0	0	0	109.7	F42 L117 T118 S119 K120 H121 H122 W211 D213	F42-Y165 HydrophobicContact CE2-CD2 4.11Å; F42-Y165 HydrophobicContact CE2-CG 4.04Å; F42-Y165 AromaticContact CZ-CD2 3.46Å; F42-Y165 HydrophobicContact CZ-CD2 3.46Å; F42-Y165 VanDerWaalsContact CZ-CD2 3.46Å; F42-Y165 HydrophobicContact CZ-CE2 4.22Å; F42-Y165 AromaticContact CZ-CG 3.87Å; F42-Y165 HydrophobicContact CZ-CG 3.87Å; L117-Y165 PolarHBondContact O-N 3.47Å; T118-Y165 HydrophobicContact CG2-CD1 3.67Å; T118-Y165 HydrophobicContact CG2-CE1 4.2Å; T118-Y165 HydrophobicContact CG2-CG 4.09Å; S119-Y165 WeakPolarHBondContact CB-O 3.46Å; S119-Y165 PolarHBondContact N-O 3.45Å; S119-Y165 PolarHBondContact OG-O 3.23Å; K120-Y165 WeakPolarHBondContact O-CD1 3.33Å; K120-Y165 WeakPolarHBondContact O-CE1 3.32Å; H121-Y165 AromaticContact CD2-CE1 3.87Å; H122-Y165 PolarHBondContact CE1-OH 3.28Å; H122-Y165 VanDerWaalsContact CE1-OH 3.29Å; Y165-W211 CarbonylContact C-O 3.51Å; Y165-W211 WeakPolarHBondContact CA-O 3.29Å; Y165-W211 HydrophobicContact CD2-CB 4.46Å; Y165-W211 HydrophobicContact CD2-CD2 4.11Å; Y165-W211 AromaticContact CD2-CE3 3.33Å; Y165-W211 HydrophobicContact CD2-CE3 3.33Å; Y165-W211 AromaticContact CD2-CZ3 3.88Å; Y165-W211 HydrophobicContact CD2-CZ3 3.88Å; Y165-W211 AromaticContact CE2-CE3 3.62Å; Y165-W211 HydrophobicContact CE2-CE3 3.62Å; Y165-W211 AromaticContact CE2-CZ3 3.66Å; Y165-W211 HydrophobicContact CE2-CZ3 3.66Å; Y165-D213 HydrophobicContact CD2-CB 4.25Å; Y165-D213 HydrophobicContact CE2-CB 3.26Å; Y165-D213 WeakPolarHBondContact CE2-OD2 3.37Å; Y165-D213 VanDerWaalsContact CZ-CB 3.44Å; Y165-D213 WeakPolarHBondContact OH-CB 3.44Å; Y165-D213 PolarHBondContact OH-OD2 2.92Å
166	N	98.6	Very high	98.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.5	173.8	-177.6	86	0	0	0	110.9	L198 I201 W211 S212 D213	N166-L198 HydrophobicContact CB-CD2 4.04Å; N166-L198 WeakPolarHBondContact ND2-CD2 3.46Å; N166-I201 HydrophobicContact CB-CD1 4.2Å; N166-W211 PolarHBondContact N-O 2.83Å; N166-S212 WeakPolarHBondContact O-CA 3.18Å; N166-D213 PolarHBondContact O-N 2.88Å
167	S	98.6	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.1	171.9	-173.5	0	0	0	0	112	K120 H122 Y169 D213	K120-S167 VanDerWaalsContact CE-O 3.31Å; K120-S167 WeakPolarHBondContact CE-O 3.3Å; K120-S167 PolarHBondContact O-N 2.88Å; H122-S167 PolarHBondContact CE1-OG 2.77Å; H122-S167 WeakPolarHBondContact ND1-CB 3.44Å; H122-S167 PolarHBondContact ND1-OG 3.4Å; S167-Y169 VanDerWaalsContact C-N 3.32Å; S167-Y169 PolarHBondContact OG-N 3.32Å; S167-Y169 PolarHBondContact OG-O 3.35Å; S167-Y169 VanDerWaalsContact OG-O 3.14Å; S167-D213 CarbonylContact C-O 3.58Å; S167-D213 WeakPolarHBondContact CA-O 3.33Å
168	L	98.5	Very high	98.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-71.3	-24.2	176.8	-61	-167.6	0	0	0	112.7	F189 L194 L198 D213 D215 W223 W248	L168-F189 WeakPolarHBondContact O-CE1 3.41Å; L168-L194 HydrophobicContact CB-CD2 4.3Å; L168-L194 HydrophobicContact CD2-CD1 4.07Å; L168-L194 HydrophobicContact CD2-CD2 4.23Å; L168-L194 WeakPolarHBondContact O-CD2 3.42Å; L168-L198 HydrophobicContact CD2-CD1 4.44Å; L168-D213 WeakPolarHBondContact CB-O 3.47Å; L168-D213 WeakPolarHBondContact CG-O 3.18Å; L168-D213 PolarHBondContact N-O 2.94Å; L168-D215 HydrophobicContact CD1-CB 3.73Å; L168-W223 HydrophobicContact CB-CD2 4.18Å; L168-W223 HydrophobicContact CB-CE3 3.97Å; L168-W223 HydrophobicContact CB-CH2 4.21Å; L168-W223 HydrophobicContact CB-CZ2 4.42Å; L168-W223 HydrophobicContact CB-CZ3 3.98Å; L168-W223 HydrophobicContact CD1-CB 4.43Å; L168-W223 HydrophobicContact CD1-CD2 4.07Å; L168-W223 HydrophobicContact CD1-CG 4Å; L168-W223 WeakPolarHBondContact O-CZ3 3.4Å; L168-W248 HydrophobicContact CD2-CZ3 4.4Å
169	Y	97.7	Very high	98.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	16%	0.16	C	C	.	.			trans	-122.7	167.8	179.9	84.6	-78.4	0	0	0	112.3	H122 S167 W171 Y176 G214 W216	H122-Y169 HydrophobicContact CB-CE1 4.31Å; H122-Y169 HydrophobicContact CB-CE2 4.35Å; H122-Y169 PolarHBondContact CD2-OH 3.34Å; H122-Y169 AromaticContact CE1-CE1 3.73Å; H122-Y169 AromaticContact CG-CE1 3.75Å; H122-Y169 AromaticContact CG-CZ 3.67Å; H122-Y169 AromaticContact ND1-CE1 3.38Å; H122-Y169 WeakPolarHBondContact ND1-CE1 3.5Å; H122-Y169 AromaticContact ND1-CZ 3.81Å; S167-Y169 VanDerWaalsContact C-N 3.32Å; S167-Y169 PolarHBondContact OG-N 3.32Å; S167-Y169 PolarHBondContact OG-O 3.35Å; S167-Y169 VanDerWaalsContact OG-O 3.14Å; Y169-W171 AromaticContact CE2-CD1 3.39Å; Y169-W171 HydrophobicContact CE2-CG 4.05Å; Y169-W171 AromaticContact CE2-NE1 3.73Å; Y169-W171 AromaticContact CZ-CD1 3.93Å; Y169-W171 AromaticContact CZ-NE1 3.75Å; Y169-W171 PolarHBondContact OH-NE1 3.23Å; Y169-Y176 HydrophobicContact CD2-CD1 4.35Å; Y169-Y176 AromaticContact CD2-CE1 3.76Å; Y169-Y176 HydrophobicContact CD2-CE1 3.76Å; Y169-Y176 HydrophobicContact CG-CE1 4.24Å; Y169-G214 VanDerWaalsContact CD1-O 3.23Å; Y169-G214 WeakPolarHBondContact CD1-O 3.32Å; Y169-G214 VanDerWaalsContact CE1-CA 3.47Å; Y169-W216 AromaticContact CE1-CH2 3.77Å; Y169-W216 HydrophobicContact CE1-CH2 3.77Å; Y169-W216 AromaticContact CE1-CZ2 3.57Å; Y169-W216 HydrophobicContact CE1-CZ2 3.57Å; Y169-W216 AromaticContact CZ-CZ2 3.86Å
170	E	97.9	Very high	98.2	Very high	8 Å²	8	28 Å²	28	4%	0.037	14%	0.141	C	C	.	.			trans	-133.6	123	176.3	-69.7	176.4	-160.5	0	0	109.5	K120 H122 F172 N173 Y176 F189 K193	K120-E170 WeakPolarHBondContact CD-OE1 3.41Å; K120-E170 WeakPolarHBondContact CE-OE1 3.07Å; K120-E170 IonicContact NZ-OE1 2.67Å; K120-E170 PolarHBondContact NZ-OE1 3.29Å; H122-E170 CarbonylContact O-C 3.44Å; H122-E170 WeakPolarHBondContact O-CA 3.47Å; E170-F172 PolarHBondContact O-N 3.23Å; E170-F172 VanDerWaalsContact O-N 3.12Å; E170-N173 HydrophobicContact CB-CB 3.52Å; E170-N173 HydrophobicContact CG-CB 4.45Å; E170-N173 PolarHBondContact O-N 3.35Å; E170-N173 WeakPolarHBondContact OE2-CB 3.23Å; E170-N173 PolarHBondContact OE2-ND2 3.03Å; E170-Y176 WeakPolarHBondContact O-CD1 3.47Å; E170-F189 HydrophobicContact CB-CE2 4.15Å; E170-F189 HydrophobicContact CB-CZ 4.25Å; E170-F189 HydrophobicContact CG-CE2 4.08Å; E170-F189 HydrophobicContact CG-CZ 3.95Å; E170-K193 WeakPolarHBondContact OE1-CE 2.95Å; E170-K193 IonicContact OE1-NZ 3.86Å; E170-K193 WeakPolarHBondContact OE2-CE 3.47Å
171	W	97.7	Very high	98.2	Very high	11 Å²	11	37 Å²	37	4%	0.042	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.3	-170.9	-80.6	-48.3	0	0	0	114.4	W57 W59 W60 H122 E123 Y169	W57-W171 HydrophobicContact CB-CH2 4.44Å; W57-W171 HydrophobicContact CB-CZ2 4.46Å; W57-W171 AromaticContact CD2-CZ2 3.85Å; W57-W171 HydrophobicContact CD2-CZ2 3.85Å; W57-W171 HydrophobicContact CE3-CZ2 4.03Å; W57-W171 HydrophobicContact CG-CH2 4.3Å; W57-W171 HydrophobicContact CG-CZ2 4.05Å; W59-W171 HydrophobicContact CB-CE3 3.9Å; W59-W171 HydrophobicContact CB-CZ3 3.87Å; W59-W171 HydrophobicContact CD2-CB 4.39Å; W59-W171 HydrophobicContact CD2-CE3 4.13Å; W59-W171 HydrophobicContact CE3-CB 3.54Å; W59-W171 AromaticContact CE3-CD2 3.63Å; W59-W171 HydrophobicContact CE3-CD2 3.63Å; W59-W171 AromaticContact CE3-CE3 3.66Å; W59-W171 HydrophobicContact CE3-CE3 3.66Å; W59-W171 AromaticContact CE3-CG 3.6Å; W59-W171 HydrophobicContact CE3-CG 3.6Å; W59-W171 HydrophobicContact CG-CE3 4.24Å; W59-W171 HydrophobicContact CH2-CB 4.02Å; W59-W171 HydrophobicContact CZ3-CB 3.35Å; W59-W171 HydrophobicContact CZ3-CD2 4.22Å; W59-W171 AromaticContact CZ3-CG 3.68Å; W59-W171 HydrophobicContact CZ3-CG 3.68Å; W60-W171 HydrophobicContact CB-CD2 4.47Å; W60-W171 HydrophobicContact CB-CH2 4.4Å; W60-W171 HydrophobicContact CB-CZ2 3.81Å; W60-W171 AromaticContact CD2-NE1 3.99Å; W60-W171 AromaticContact CE3-CD1 3.44Å; W60-W171 VanDerWaalsContact CE3-CD1 3.44Å; W60-W171 HydrophobicContact CE3-CG 4.27Å; W60-W171 AromaticContact CE3-NE1 3.53Å; W60-W171 AromaticContact CZ3-CD1 3.94Å; H122-W171 HydrophobicContact CB-CD2 3.65Å; H122-W171 VanDerWaalsContact CB-CE2 3.42Å; H122-W171 HydrophobicContact CB-CE3 3.92Å; H122-W171 HydrophobicContact CB-CG 4.31Å; H122-W171 HydrophobicContact CB-CH2 3.66Å; H122-W171 HydrophobicContact CB-CZ2 3.45Å; H122-W171 VanDerWaalsContact CB-CZ2 3.45Å; H122-W171 HydrophobicContact CB-CZ3 3.92Å; H122-W171 AromaticContact CD2-CZ2 3.72Å; H122-W171 AromaticContact CG-CZ2 3.98Å; H122-W171 PolarHBondContact O-N 2.9Å; E123-W171 HydrophobicContact CB-CE3 3.98Å; E123-W171 HydrophobicContact CB-CZ3 3.98Å; Y169-W171 AromaticContact CE2-CD1 3.39Å; Y169-W171 HydrophobicContact CE2-CG 4.05Å; Y169-W171 AromaticContact CE2-NE1 3.73Å; Y169-W171 AromaticContact CZ-CD1 3.93Å; Y169-W171 AromaticContact CZ-NE1 3.75Å; Y169-W171 PolarHBondContact OH-NE1 3.23Å
172	F	95.7	Very high	98.1	Very high	60 Å²	60	37.1 Å²	37.1	26%	0.263	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	16.7	-171.4	51.1	-99.4	0	0	0	113.4	W59 Y86 E123 W136 E170 P174	W59-F172 AromaticContact CD1-CE1 3.97Å; W59-F172 AromaticContact CD2-CD1 3.62Å; W59-F172 HydrophobicContact CD2-CD1 3.62Å; W59-F172 AromaticContact CD2-CE1 3.89Å; W59-F172 HydrophobicContact CD2-CE1 3.89Å; W59-F172 AromaticContact CE2-CD1 3.33Å; W59-F172 AromaticContact CE2-CE1 3.88Å; W59-F172 HydrophobicContact CE3-CD1 4.09Å; W59-F172 HydrophobicContact CG-CD1 4.16Å; W59-F172 AromaticContact CG-CE1 3.94Å; W59-F172 HydrophobicContact CG-CE1 3.94Å; W59-F172 HydrophobicContact CH2-CB 4.07Å; W59-F172 HydrophobicContact CH2-CD1 4.03Å; W59-F172 HydrophobicContact CZ2-CB 3.79Å; W59-F172 AromaticContact CZ2-CD1 3.54Å; W59-F172 HydrophobicContact CZ2-CD1 3.54Å; W59-F172 HydrophobicContact CZ2-CG 4.05Å; W59-F172 HydrophobicContact CZ3-CD1 4.31Å; W59-F172 AromaticContact NE1-CD1 3.72Å; W59-F172 AromaticContact NE1-CE1 3.9Å; Y86-F172 HydrophobicContact CD1-CE1 4.33Å; Y86-F172 HydrophobicContact CD1-CZ 4.24Å; E123-F172 HydrophobicContact CB-CE1 3.9Å; E123-F172 HydrophobicContact CB-CZ 3.98Å; E123-F172 WeakPolarHBondContact O-CZ 3.24Å; W136-F172 HydrophobicContact CZ2-CE2 4.32Å; W136-F172 AromaticContact CZ2-CZ 3.92Å; W136-F172 HydrophobicContact CZ2-CZ 3.92Å; E170-F172 PolarHBondContact O-N 3.23Å; E170-F172 VanDerWaalsContact O-N 3.12Å; F172-P174 WeakPolarHBondContact O-CD 3.41Å
173	N	97.5	Very high	98.1	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	21%	0.206	C	C	.	.			trans	-70.6	125.1	173.8	-174.1	-59.3	0	0	0	110.1	E170 L175 Y176 L177 F189	E170-N173 HydrophobicContact CB-CB 3.52Å; E170-N173 HydrophobicContact CG-CB 4.45Å; E170-N173 PolarHBondContact O-N 3.35Å; E170-N173 WeakPolarHBondContact OE2-CB 3.23Å; E170-N173 PolarHBondContact OE2-ND2 3.03Å; N173-L175 VanDerWaalsContact C-N 3.31Å; N173-L175 PolarHBondContact O-N 3.01Å; N173-L175 WeakPolarHBondContact OD1-CB 3.3Å; N173-L175 PolarHBondContact OD1-N 2.98Å; N173-Y176 PolarHBondContact O-N 2.98Å; N173-Y176 VanDerWaalsContact O-N 3.1Å; N173-Y176 PolarHBondContact OD1-N 2.8Å; N173-L177 WeakPolarHBondContact O-CG 3.48Å; N173-L177 PolarHBondContact O-N 2.92Å; N173-F189 HydrophobicContact CB-CD2 4.32Å; N173-F189 HydrophobicContact CB-CE2 4.03Å
174	P	97.3	Very high	98	Very high	97 Å²	97	41.5 Å²	41.5	63%	0.63	22%	0.215	S	C	*	.	H	α-helix	trans	-57.8	-38.7	-177.4	-27.1	35.5	0	0	0	114.3	F172 Y176 L177 E178	F172-P174 WeakPolarHBondContact O-CD 3.41Å; P174-Y176 VanDerWaalsContact C-N 3.35Å; P174-L177 PolarHBondContact O-N 2.87Å; P174-E178 WeakPolarHBondContact O-CB 3.47Å; P174-E178 PolarHBondContact O-N 3.08Å
175	L	98.1	Very high	97.9	Very high	45 Å²	45	50.3 Å²	50.3	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-41.4	178.3	-60.4	176.7	0	0	0	110.7	N173 E178 D179 Q188 F189 Q192	N173-L175 VanDerWaalsContact C-N 3.31Å; N173-L175 PolarHBondContact O-N 3.01Å; N173-L175 WeakPolarHBondContact OD1-CB 3.3Å; N173-L175 PolarHBondContact OD1-N 2.98Å; L175-E178 PolarHBondContact O-N 2.85Å; L175-D179 PolarHBondContact O-N 3.48Å; L175-Q188 HydrophobicContact CD2-CB 4.43Å; L175-F189 HydrophobicContact CB-CB 3.81Å; L175-F189 HydrophobicContact CB-CD2 4.19Å; L175-Q192 HydrophobicContact CD1-CB 4.05Å
176	Y	98.4	Very high	97.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-45.4	177.9	-177.7	-109.9	0	0	0	111.2	Y169 E170 N173 P174 E178 D179 K180 F184 F189 E217 Y222 W223	Y169-Y176 HydrophobicContact CD2-CD1 4.35Å; Y169-Y176 AromaticContact CD2-CE1 3.76Å; Y169-Y176 HydrophobicContact CD2-CE1 3.76Å; Y169-Y176 HydrophobicContact CG-CE1 4.24Å; E170-Y176 WeakPolarHBondContact O-CD1 3.47Å; N173-Y176 PolarHBondContact O-N 2.98Å; N173-Y176 VanDerWaalsContact O-N 3.1Å; N173-Y176 PolarHBondContact OD1-N 2.8Å; P174-Y176 VanDerWaalsContact C-N 3.35Å; Y176-E178 VanDerWaalsContact C-N 3.28Å; Y176-E178 PolarHBondContact O-N 3.49Å; Y176-D179 PolarHBondContact O-N 3.06Å; Y176-K180 HydrophobicContact CE1-CD 4.01Å; Y176-K180 VanDerWaalsContact O-CB 3.24Å; Y176-K180 WeakPolarHBondContact O-CB 3.02Å; Y176-K180 PolarHBondContact O-N 3.36Å; Y176-F184 AromaticContact CE2-CE1 3.87Å; Y176-F184 HydrophobicContact CE2-CE1 3.87Å; Y176-F189 AromaticContact CD2-CD1 3.83Å; Y176-F189 HydrophobicContact CD2-CD1 3.83Å; Y176-F189 HydrophobicContact CD2-CE1 4.12Å; Y176-F189 HydrophobicContact CD2-CG 4.13Å; Y176-F189 HydrophobicContact CG-CG 4.48Å; Y176-E217 WeakPolarHBondContact OH-CB 3.29Å; Y176-E217 PolarHBondContact OH-OE2 2.69Å; Y176-Y222 HydrophobicContact CE2-CE1 4.4Å; Y176-W223 HydrophobicContact CD2-CH2 4.49Å; Y176-W223 AromaticContact CE2-CH2 3.63Å; Y176-W223 HydrophobicContact CE2-CH2 3.63Å; Y176-W223 HydrophobicContact CE2-CZ3 4.21Å
177	L	98.1	Very high	97.8	Very high	82 Å²	82	56 Å²	56	43%	0.429	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-35	178.3	-68.6	178.4	0	0	0	112.1	N173 P174 K181	N173-L177 WeakPolarHBondContact O-CG 3.48Å; N173-L177 PolarHBondContact O-N 2.92Å; P174-L177 PolarHBondContact O-N 2.87Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.28Å
178	E	98.4	Very high	97.8	Very high	122 Å²	122	60 Å²	60	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-69.4	-47.6	175.6	-176	162.7	-152	0	0	112.2	P174 L175 Y176 K180 K181 N182	P174-E178 WeakPolarHBondContact O-CB 3.47Å; P174-E178 PolarHBondContact O-N 3.08Å; L175-E178 PolarHBondContact O-N 2.85Å; Y176-E178 VanDerWaalsContact C-N 3.28Å; Y176-E178 PolarHBondContact O-N 3.49Å; E178-K180 VanDerWaalsContact C-N 3.35Å; E178-K180 PolarHBondContact O-N 3.37Å; E178-K181 PolarHBondContact O-N 3.08Å; E178-N182 PolarHBondContact O-N 3.45Å; E178-N182 VanDerWaalsContact O-N 3.09Å; E178-N182 PolarHBondContact O-ND2 3.18Å
179	D	98.6	Very high	97.8	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-46.4	173.6	-76.5	-19.1	0	0	0	110.4	L175 Y176 K181 N182 G183 F184 T186 Q188 F189 Y222	L175-D179 PolarHBondContact O-N 3.48Å; Y176-D179 PolarHBondContact O-N 3.06Å; D179-K181 PolarHBondContact O-N 2.97Å; D179-N182 PolarHBondContact O-N 3.33Å; D179-N182 PolarHBondContact O-OD1 2.93Å; D179-G183 PolarHBondContact O-N 2.91Å; D179-F184 WeakPolarHBondContact O-CA 3.42Å; D179-F184 PolarHBondContact O-N 3.33Å; D179-T186 VanDerWaalsContact OD1-C 3.31Å; D179-T186 WeakPolarHBondContact OD1-CB 3.38Å; D179-T186 PolarHBondContact OD1-OG1 3.06Å; D179-Q188 PolarHBondContact OD1-N 2.01Å; D179-Q188 PolarHBondContact OD2-N 3.34Å; D179-F189 WeakPolarHBondContact OD2-CB 3.29Å; D179-F189 PolarHBondContact OD2-N 3.18Å; D179-Y222 HydrophobicContact CB-CE2 3.87Å; D179-Y222 WeakPolarHBondContact CB-OH 3.48Å; D179-Y222 PolarHBondContact OD2-OH 3.02Å
180	K	98.1	Very high	97.9	Very high	78 Å²	78	59.8 Å²	59.8	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-45.4	176.9	-176.9	172.4	-175.8	171.2	0	112.3	Y176 E178 N182 G183 F184 E217	Y176-K180 HydrophobicContact CE1-CD 4.01Å; Y176-K180 VanDerWaalsContact O-CB 3.24Å; Y176-K180 WeakPolarHBondContact O-CB 3.02Å; Y176-K180 PolarHBondContact O-N 3.36Å; E178-K180 VanDerWaalsContact C-N 3.35Å; E178-K180 PolarHBondContact O-N 3.37Å; K180-N182 PolarHBondContact O-N 3.07Å; K180-G183 PolarHBondContact O-N 3.22Å; K180-F184 HydrophobicContact CB-CE1 3.78Å; K180-F184 HydrophobicContact CB-CZ 3.86Å; K180-F184 HydrophobicContact CD-CZ 4.35Å; K180-F184 HydrophobicContact CG-CE1 4.2Å; K180-F184 HydrophobicContact CG-CE2 4.39Å; K180-F184 HydrophobicContact CG-CZ 3.73Å; K180-E217 WeakPolarHBondContact CD-OE2 3.29Å; K180-E217 VanDerWaalsContact CE-OE2 3.23Å; K180-E217 WeakPolarHBondContact CE-OE2 3.36Å; K180-E217 IonicContact NZ-OE1 3.53Å; K180-E217 PolarHBondContact NZ-OE1 3.05Å; K180-E217 IonicContact NZ-OE2 3.24Å; K180-E217 PolarHBondContact NZ-OE2 3.23Å
181	K	98.1	Very high	97.9	Very high	193 Å²	193	64.6 Å²	64.6	84%	0.839	33%	0.325	S	S	*	.	H	α-helix	trans	-60.8	-32.6	178.9	178.9	179.8	176.6	-174.3	0	112.2	L177 E178 D179 G183	L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.28Å; E178-K181 PolarHBondContact O-N 3.08Å; D179-K181 PolarHBondContact O-N 2.97Å; K181-G183 VanDerWaalsContact C-N 3.28Å
182	N	97.5	Very high	97.9	Very high	51 Å²	51	69 Å²	69	27%	0.273	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.2	177.1	76.7	43.5	0	0	0	114.2	E178 D179 K180 F184 K185 T186	E178-N182 PolarHBondContact O-N 3.45Å; E178-N182 VanDerWaalsContact O-N 3.09Å; E178-N182 PolarHBondContact O-ND2 3.18Å; D179-N182 PolarHBondContact O-N 3.33Å; D179-N182 PolarHBondContact O-OD1 2.93Å; K180-N182 PolarHBondContact O-N 3.07Å; N182-F184 PolarHBondContact OD1-N 2.78Å; N182-K185 WeakPolarHBondContact O-CD 3.27Å; N182-K185 WeakPolarHBondContact O-CG 3.48Å; N182-K185 PolarHBondContact OD1-N 2.83Å; N182-T186 PolarHBondContact ND2-OG1 3Å; N182-T186 PolarHBondContact OD1-N 2.99Å
183	G	97.8	Very high	98	Very high	49 Å²	49	66.6 Å²	66.6	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	35.4	-179.8	0	0	0	0	0	113	D179 K180 K181 K185	D179-G183 PolarHBondContact O-N 2.91Å; K180-G183 PolarHBondContact O-N 3.22Å; K181-G183 VanDerWaalsContact C-N 3.28Å; G183-K185 PolarHBondContact O-N 2.78Å
184	F	98.2	Very high	98.1	Very high	42 Å²	42	65.5 Å²	65.5	18%	0.184	33%	0.33	C	S	.	.	S	Bend	trans	58.9	31.7	177.8	-52.6	-69.5	0	0	0	113.7	Y176 D179 K180 N182 E217 A218 Y222	Y176-F184 AromaticContact CE2-CE1 3.87Å; Y176-F184 HydrophobicContact CE2-CE1 3.87Å; D179-F184 WeakPolarHBondContact O-CA 3.42Å; D179-F184 PolarHBondContact O-N 3.33Å; K180-F184 HydrophobicContact CB-CE1 3.78Å; K180-F184 HydrophobicContact CB-CZ 3.86Å; K180-F184 HydrophobicContact CD-CZ 4.35Å; K180-F184 HydrophobicContact CG-CE1 4.2Å; K180-F184 HydrophobicContact CG-CE2 4.39Å; K180-F184 HydrophobicContact CG-CZ 3.73Å; N182-F184 PolarHBondContact OD1-N 2.78Å; F184-E217 HydrophobicContact CE2-CB 4.48Å; F184-E217 WeakPolarHBondContact CE2-O 3.41Å; F184-E217 HydrophobicContact CZ-CB 4.01Å; F184-A218 HydrophobicContact CB-CB 4.48Å; F184-A218 HydrophobicContact CD1-CB 3.91Å; F184-A218 HydrophobicContact CD2-CB 3.85Å; F184-A218 HydrophobicContact CE1-CB 4.01Å; F184-A218 HydrophobicContact CE2-CB 3.97Å; F184-A218 HydrophobicContact CG-CB 3.82Å; F184-A218 HydrophobicContact CZ-CB 4.02Å; F184-Y222 HydrophobicContact CB-CD2 3.69Å; F184-Y222 HydrophobicContact CB-CE2 4.17Å; F184-Y222 HydrophobicContact CB-CG 3.9Å; F184-Y222 AromaticContact CD1-CD1 3.97Å; F184-Y222 HydrophobicContact CD1-CD1 3.97Å; F184-Y222 HydrophobicContact CD1-CD2 4.01Å; F184-Y222 AromaticContact CD1-CE1 3.65Å; F184-Y222 HydrophobicContact CD1-CE1 3.65Å; F184-Y222 AromaticContact CD1-CE2 3.75Å; F184-Y222 HydrophobicContact CD1-CE2 3.75Å; F184-Y222 HydrophobicContact CD1-CG 4.11Å; F184-Y222 AromaticContact CD1-CZ 3.55Å; F184-Y222 HydrophobicContact CE1-CE1 4.02Å; F184-Y222 HydrophobicContact CG-CD1 4.45Å; F184-Y222 HydrophobicContact CG-CD2 4.28Å; F184-Y222 HydrophobicContact CG-CE2 4.44Å; F184-Y222 HydrophobicContact CG-CG 4.29Å
185	K	97.3	Very high	98.1	Very high	185 Å²	185	61.2 Å²	61.2	80%	0.804	30%	0.302	S	S	*	.			trans	-81.8	-19.8	177.1	-67.3	179	-175	174.4	0	112.6	N182 G183	N182-K185 WeakPolarHBondContact O-CD 3.27Å; N182-K185 WeakPolarHBondContact O-CG 3.48Å; N182-K185 PolarHBondContact OD1-N 2.83Å; G183-K185 PolarHBondContact O-N 2.78Å
186	T	97.6	Very high	98.1	Very high	53 Å²	53	60.3 Å²	60.3	33%	0.325	30%	0.298	S	S	.	.			trans	-113.5	164.5	167.6	57.2	0	0	0	0	109.8	D179 N182 Y222	D179-T186 VanDerWaalsContact OD1-C 3.31Å; D179-T186 WeakPolarHBondContact OD1-CB 3.38Å; D179-T186 PolarHBondContact OD1-OG1 3.06Å; N182-T186 PolarHBondContact ND2-OG1 3Å; N182-T186 PolarHBondContact OD1-N 2.99Å; T186-Y222 WeakPolarHBondContact O-CD2 3.22Å; T186-Y222 WeakPolarHBondContact O-CE2 3.49Å
187	Q	97.8	Very high	98.1	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	30%	0.298	S	S	.	.			trans	-127.6	36.8	-177.3	-72.6	178.5	-65.5	0	0	110.5	V190 M191 T221 Y222	Q187-V190 HydrophobicContact CB-CB 4.08Å; Q187-V190 PolarHBondContact O-N 3.32Å; Q187-M191 HydrophobicContact CB-CG 4.3Å; Q187-M191 WeakPolarHBondContact O-CB 3.23Å; Q187-M191 VanDerWaalsContact O-CG 3.29Å; Q187-M191 WeakPolarHBondContact O-CG 3.46Å; Q187-M191 PolarHBondContact O-N 2.99Å; Q187-T221 PolarHBondContact NE2-O 3.13Å; Q187-Y222 HydrophobicContact CG-CD2 3.76Å; Q187-Y222 HydrophobicContact CG-CE2 4.2Å; Q187-Y222 PolarHBondContact NE2-O 2.95Å
188	Q	98.4	Very high	98.2	Very high	84 Å²	84	56.4 Å²	56.4	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-44	-175.4	-64.7	-57.2	-32	0	0	111.2	L175 D179 V190 Q192	L175-Q188 HydrophobicContact CD2-CB 4.43Å; D179-Q188 PolarHBondContact OD1-N 2.01Å; D179-Q188 PolarHBondContact OD2-N 3.34Å; Q188-V190 VanDerWaalsContact C-N 3.34Å; Q188-V190 PolarHBondContact O-N 2.67Å; Q188-Q192 VanDerWaalsContact O-CB 3.24Å; Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 VanDerWaalsContact O-CG 3.31Å; Q188-Q192 WeakPolarHBondContact O-CG 3.36Å; Q188-Q192 PolarHBondContact O-N 2.92Å
189	F	98.6	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-43.9	174.3	175.4	-98.9	0	0	0	111.4	L168 E170 N173 L175 Y176 D179 M191 K193 L194 W223	L168-F189 WeakPolarHBondContact O-CE1 3.41Å; E170-F189 HydrophobicContact CB-CE2 4.15Å; E170-F189 HydrophobicContact CB-CZ 4.25Å; E170-F189 HydrophobicContact CG-CE2 4.08Å; E170-F189 HydrophobicContact CG-CZ 3.95Å; N173-F189 HydrophobicContact CB-CD2 4.32Å; N173-F189 HydrophobicContact CB-CE2 4.03Å; L175-F189 HydrophobicContact CB-CB 3.81Å; L175-F189 HydrophobicContact CB-CD2 4.19Å; Y176-F189 AromaticContact CD2-CD1 3.83Å; Y176-F189 HydrophobicContact CD2-CD1 3.83Å; Y176-F189 HydrophobicContact CD2-CE1 4.12Å; Y176-F189 HydrophobicContact CD2-CG 4.13Å; Y176-F189 HydrophobicContact CG-CG 4.48Å; D179-F189 WeakPolarHBondContact OD2-CB 3.29Å; D179-F189 PolarHBondContact OD2-N 3.18Å; F189-M191 PolarHBondContact O-N 3.46Å; F189-K193 HydrophobicContact CD2-CB 3.92Å; F189-K193 HydrophobicContact CD2-CG 3.93Å; F189-K193 HydrophobicContact CE2-CB 3.99Å; F189-K193 HydrophobicContact CE2-CG 3.49Å; F189-K193 VanDerWaalsContact CE2-CG 3.49Å; F189-K193 HydrophobicContact CZ-CG 4.08Å; F189-K193 WeakPolarHBondContact O-CA 3.46Å; F189-K193 VanDerWaalsContact O-CB 3.23Å; F189-K193 WeakPolarHBondContact O-CB 3.33Å; F189-K193 PolarHBondContact O-N 3.33Å; F189-L194 HydrophobicContact CD1-CB 4.3Å; F189-L194 HydrophobicContact CE1-CB 3.84Å; F189-L194 HydrophobicContact CE1-CD2 4.49Å; F189-L194 HydrophobicContact CZ-CB 4.41Å; F189-L194 PolarHBondContact O-N 2.72Å; F189-W223 HydrophobicContact CE1-CZ3 4.32Å
190	V	98.6	Very high	98.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-62.4	-46.7	-178	173.6	0	0	0	0	110.9	Q187 Q188 L195 Y222 W223 N224	Q187-V190 HydrophobicContact CB-CB 4.08Å; Q187-V190 PolarHBondContact O-N 3.32Å; Q188-V190 VanDerWaalsContact C-N 3.34Å; Q188-V190 PolarHBondContact O-N 2.67Å; V190-L195 HydrophobicContact CG1-CD1 3.75Å; V190-L195 HydrophobicContact CG1-CG 3.78Å; V190-L195 WeakPolarHBondContact O-CB 3.18Å; V190-L195 PolarHBondContact O-N 2.86Å; V190-Y222 HydrophobicContact CG2-CD1 4.17Å; V190-Y222 HydrophobicContact CG2-CD2 4.31Å; V190-Y222 HydrophobicContact CG2-CE1 3.78Å; V190-Y222 HydrophobicContact CG2-CE2 3.87Å; V190-Y222 HydrophobicContact CG2-CG 4.45Å; V190-Y222 WeakPolarHBondContact CG2-O 3.02Å; V190-W223 HydrophobicContact CG2-CE3 4.21Å; V190-N224 HydrophobicContact CG1-CB 4.18Å
191	M	98.3	Very high	98.2	Very high	109 Å²	109	52.2 Å²	52.2	54%	0.537	26%	0.259	S	S	.	.	I	π-helix	trans	-78.7	-33.2	-174.8	-65.6	-58.2	-65.1	0	0	113.8	Q187 F189 L195 P196	Q187-M191 HydrophobicContact CB-CG 4.3Å; Q187-M191 WeakPolarHBondContact O-CB 3.23Å; Q187-M191 VanDerWaalsContact O-CG 3.29Å; Q187-M191 WeakPolarHBondContact O-CG 3.46Å; Q187-M191 PolarHBondContact O-N 2.99Å; F189-M191 PolarHBondContact O-N 3.46Å; M191-L195 HydrophobicContact SD-CD1 4.04Å; M191-P196 VanDerWaalsContact O-CG 3.22Å; M191-P196 WeakPolarHBondContact O-CG 3.45Å
192	Q	97.9	Very high	98.2	Very high	104 Å²	104	43 Å²	43	49%	0.486	22%	0.219	S	C	.	.	I	π-helix	trans	-97.4	-19	-175.3	-58.4	-173	38.7	0	0	113.5	Y132 L175 Q188	Y132-Q192 WeakPolarHBondContact CD1-O 3.14Å; L175-Q192 HydrophobicContact CD1-CB 4.05Å; Q188-Q192 VanDerWaalsContact O-CB 3.24Å; Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 VanDerWaalsContact O-CG 3.31Å; Q188-Q192 WeakPolarHBondContact O-CG 3.36Å; Q188-Q192 PolarHBondContact O-N 2.92Å
193	K	97.9	Very high	98.3	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.039	23%	0.23	C	C	.	.	I	π-helix	trans	-127.8	-66.5	-172.2	177.9	61.5	173.1	-179.6	0	112.6	Y132 S133 E170 F189 E197	Y132-K193 VanDerWaalsContact C-NZ 3.34Å; Y132-K193 WeakPolarHBondContact O-CD 3.32Å; Y132-K193 PolarHBondContact O-NZ 2.95Å; S133-K193 PolarHBondContact OG-NZ 3.11Å; E170-K193 WeakPolarHBondContact OE1-CE 2.95Å; E170-K193 IonicContact OE1-NZ 3.86Å; E170-K193 WeakPolarHBondContact OE2-CE 3.47Å; F189-K193 HydrophobicContact CD2-CB 3.92Å; F189-K193 HydrophobicContact CD2-CG 3.93Å; F189-K193 HydrophobicContact CE2-CB 3.99Å; F189-K193 HydrophobicContact CE2-CG 3.49Å; F189-K193 VanDerWaalsContact CE2-CG 3.49Å; F189-K193 HydrophobicContact CZ-CG 4.08Å; F189-K193 WeakPolarHBondContact O-CA 3.46Å; F189-K193 VanDerWaalsContact O-CB 3.23Å; F189-K193 WeakPolarHBondContact O-CB 3.33Å; F189-K193 PolarHBondContact O-N 3.33Å; K193-E197 VanDerWaalsContact CE-OE1 3.29Å; K193-E197 WeakPolarHBondContact CE-OE1 3.35Å; K193-E197 WeakPolarHBondContact CE-OE2 3.48Å; K193-E197 IonicContact NZ-OE1 3.03Å; K193-E197 PolarHBondContact NZ-OE1 3.08Å; K193-E197 IonicContact NZ-OE2 3.21Å; K193-E197 WeakPolarHBondContact O-CB 3.35Å; K193-E197 VanDerWaalsContact O-CG 3.25Å; K193-E197 WeakPolarHBondContact O-CG 3.19Å; K193-E197 PolarHBondContact O-N 3.06Å
194	L	98.5	Very high	98.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.223	C	C	.	.	I	π-helix	trans	-64.9	-58	-169.8	174.4	63.5	0	0	0	113.6	L168 F189 E197 L198 W223	L168-L194 HydrophobicContact CB-CD2 4.3Å; L168-L194 HydrophobicContact CD2-CD1 4.07Å; L168-L194 HydrophobicContact CD2-CD2 4.23Å; L168-L194 WeakPolarHBondContact O-CD2 3.42Å; F189-L194 HydrophobicContact CD1-CB 4.3Å; F189-L194 HydrophobicContact CE1-CB 3.84Å; F189-L194 HydrophobicContact CE1-CD2 4.49Å; F189-L194 HydrophobicContact CZ-CB 4.41Å; F189-L194 PolarHBondContact O-N 2.72Å; L194-E197 PolarHBondContact O-N 3.33Å; L194-L198 HydrophobicContact CD1-CD1 3.97Å; L194-L198 HydrophobicContact CD1-CG 4.15Å; L194-L198 HydrophobicContact CG-CD1 4.08Å; L194-L198 WeakPolarHBondContact O-CG 3.07Å; L194-L198 PolarHBondContact O-N 3.39Å; L194-W223 HydrophobicContact CD2-CE3 3.57Å; L194-W223 HydrophobicContact CD2-CZ3 4.04Å
195	L	98.6	Very high	98.3	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-47.4	-175.1	-73.7	177.7	0	0	0	111.9	V190 M191 E197 L198 Y199 N224 F228	V190-L195 HydrophobicContact CG1-CD1 3.75Å; V190-L195 HydrophobicContact CG1-CG 3.78Å; V190-L195 WeakPolarHBondContact O-CB 3.18Å; V190-L195 PolarHBondContact O-N 2.86Å; M191-L195 HydrophobicContact SD-CD1 4.04Å; L195-E197 PolarHBondContact O-N 3.15Å; L195-L198 HydrophobicContact CD2-CD1 4.42Å; L195-L198 PolarHBondContact O-N 3Å; L195-L198 VanDerWaalsContact O-N 3.07Å; L195-Y199 HydrophobicContact CB-CD2 4.27Å; L195-Y199 HydrophobicContact CB-CE2 4Å; L195-Y199 HydrophobicContact CD2-CE2 4.48Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 3.28Å; L195-N224 HydrophobicContact CD1-CB 3.99Å; L195-F228 HydrophobicContact CD2-CB 3.94Å; L195-F228 HydrophobicContact CD2-CD2 4.48Å; L195-F228 HydrophobicContact CD2-CG 4.41Å
196	P	98.4	Very high	98.4	Very high	25 Å²	25	43.7 Å²	43.7	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-35.1	178	-24.4	34.5	0	0	0	113.5	Y132 M191 N200	Y132-P196 HydrophobicContact CD1-CB 3.92Å; Y132-P196 HydrophobicContact CD1-CG 4.46Å; Y132-P196 HydrophobicContact CD2-CB 3.86Å; Y132-P196 HydrophobicContact CE1-CB 3.47Å; Y132-P196 VanDerWaalsContact CE1-CB 3.47Å; Y132-P196 HydrophobicContact CE1-CG 4.11Å; Y132-P196 HydrophobicContact CE2-CB 3.41Å; Y132-P196 VanDerWaalsContact CE2-CB 3.41Å; Y132-P196 HydrophobicContact CG-CB 4.11Å; M191-P196 VanDerWaalsContact O-CG 3.22Å; M191-P196 WeakPolarHBondContact O-CG 3.45Å; P196-N200 VanDerWaalsContact O-CB 3.25Å; P196-N200 WeakPolarHBondContact O-CB 3.09Å; P196-N200 PolarHBondContact O-N 3.48Å
197	E	98.3	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-46	172.5	-73.9	-176.4	155.9	0	0	112.6	K120 W128 S130 Y132 S133 K193 L194 L195 Y199 N200 I201	K120-E197 IonicContact NZ-OE2 3.8Å; K120-E197 PolarHBondContact NZ-OE2 2.94Å; W128-E197 HydrophobicContact CH2-CB 4.45Å; W128-E197 HydrophobicContact CZ2-CB 4.14Å; W128-E197 HydrophobicContact CZ2-CG 4.19Å; S130-E197 WeakPolarHBondContact OG-CG 3.4Å; S130-E197 PolarHBondContact OG-OE1 3.37Å; Y132-E197 HydrophobicContact CD2-CG 3.92Å; Y132-E197 HydrophobicContact CG-CG 4.24Å; S133-E197 PolarHBondContact OG-OE1 3.17Å; K193-E197 VanDerWaalsContact CE-OE1 3.29Å; K193-E197 WeakPolarHBondContact CE-OE1 3.35Å; K193-E197 WeakPolarHBondContact CE-OE2 3.48Å; K193-E197 IonicContact NZ-OE1 3.03Å; K193-E197 PolarHBondContact NZ-OE1 3.08Å; K193-E197 IonicContact NZ-OE2 3.21Å; K193-E197 WeakPolarHBondContact O-CB 3.35Å; K193-E197 VanDerWaalsContact O-CG 3.25Å; K193-E197 WeakPolarHBondContact O-CG 3.19Å; K193-E197 PolarHBondContact O-N 3.06Å; L194-E197 PolarHBondContact O-N 3.33Å; L195-E197 PolarHBondContact O-N 3.15Å; E197-Y199 PolarHBondContact O-N 2.98Å; E197-N200 WeakPolarHBondContact O-CB 3.31Å; E197-N200 PolarHBondContact O-N 3.47Å; E197-N200 VanDerWaalsContact O-N 3.1Å; E197-I201 PolarHBondContact O-N 2.96Å
198	L	98.6	Very high	98.5	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-44.9	176.8	-74.5	176.3	0	0	0	111.9	N166 L168 L194 L195 N200 I201 V202 F228	N166-L198 HydrophobicContact CB-CD2 4.04Å; N166-L198 WeakPolarHBondContact ND2-CD2 3.46Å; L168-L198 HydrophobicContact CD2-CD1 4.44Å; L194-L198 HydrophobicContact CD1-CD1 3.97Å; L194-L198 HydrophobicContact CD1-CG 4.15Å; L194-L198 HydrophobicContact CG-CD1 4.08Å; L194-L198 WeakPolarHBondContact O-CG 3.07Å; L194-L198 PolarHBondContact O-N 3.39Å; L195-L198 HydrophobicContact CD2-CD1 4.42Å; L195-L198 PolarHBondContact O-N 3Å; L195-L198 VanDerWaalsContact O-N 3.07Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 2.9Å; L198-I201 HydrophobicContact CD2-CD1 4.15Å; L198-I201 WeakPolarHBondContact O-CG1 3.48Å; L198-V202 WeakPolarHBondContact O-CB 3.46Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.47Å; L198-V202 PolarHBondContact O-N 2.95Å; L198-V202 VanDerWaalsContact O-N 3.16Å; L198-F228 HydrophobicContact CB-CD2 4.15Å; L198-F228 HydrophobicContact CB-CE2 3.6Å; L198-F228 HydrophobicContact CB-CZ 3.84Å; L198-F228 HydrophobicContact CD1-CD1 4.4Å; L198-F228 HydrophobicContact CD1-CE1 4.38Å; L198-F228 HydrophobicContact CD1-CG 4.49Å; L198-F228 HydrophobicContact CD1-CZ 4.44Å
199	Y	98.7	Very high	98.5	Very high	70 Å²	70	35.3 Å²	35.3	28%	0.275	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-43.3	173.3	-71.8	-71.2	0	0	0	111.3	L195 E197 V202 V203 F228 W231	L195-Y199 HydrophobicContact CB-CD2 4.27Å; L195-Y199 HydrophobicContact CB-CE2 4Å; L195-Y199 HydrophobicContact CD2-CE2 4.48Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 3.28Å; E197-Y199 PolarHBondContact O-N 2.98Å; Y199-V202 PolarHBondContact O-N 3.5Å; Y199-V203 WeakPolarHBondContact O-CB 3.36Å; Y199-V203 VanDerWaalsContact O-CG2 3.28Å; Y199-V203 WeakPolarHBondContact O-CG2 3.37Å; Y199-V203 PolarHBondContact O-N 3.15Å; Y199-F228 HydrophobicContact CD1-CD2 4.44Å; Y199-F228 HydrophobicContact CD1-CE2 4.45Å; Y199-F228 HydrophobicContact CE1-CD2 4.11Å; Y199-F228 HydrophobicContact CE2-CD2 4.44Å; Y199-W231 AromaticContact CD1-CD2 3.65Å; Y199-W231 HydrophobicContact CD1-CD2 3.65Å; Y199-W231 AromaticContact CD1-CE2 3.7Å; Y199-W231 AromaticContact CD1-CE3 3.54Å; Y199-W231 HydrophobicContact CD1-CE3 3.54Å; Y199-W231 HydrophobicContact CD1-CG 4.41Å; Y199-W231 AromaticContact CD1-CH2 3.59Å; Y199-W231 HydrophobicContact CD1-CH2 3.59Å; Y199-W231 AromaticContact CD1-CZ2 3.7Å; Y199-W231 HydrophobicContact CD1-CZ2 3.7Å; Y199-W231 AromaticContact CD1-CZ3 3.51Å; Y199-W231 HydrophobicContact CD1-CZ3 3.51Å; Y199-W231 HydrophobicContact CE1-CB 4.19Å; Y199-W231 AromaticContact CE1-CD2 3.29Å; Y199-W231 HydrophobicContact CE1-CD2 3.29Å; Y199-W231 AromaticContact CE1-CE2 3.73Å; Y199-W231 AromaticContact CE1-CE3 3.38Å; Y199-W231 HydrophobicContact CE1-CE3 3.38Å; Y199-W231 AromaticContact CE1-CG 3.64Å; Y199-W231 HydrophobicContact CE1-CG 3.64Å; Y199-W231 HydrophobicContact CE1-CH2 4.28Å; Y199-W231 HydrophobicContact CE1-CZ2 4.22Å; Y199-W231 AromaticContact CE1-CZ3 3.88Å; Y199-W231 HydrophobicContact CE1-CZ3 3.88Å
200	N	98.2	Very high	98.5	Very high	42 Å²	42	35.3 Å²	35.3	23%	0.225	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-49.4	-179.5	-177.4	-109.5	0	0	0	112.2	W128 P196 E197 L198 V202 V203 R204	W128-N200 PolarHBondContact NE1-OD1 3.17Å; P196-N200 VanDerWaalsContact O-CB 3.25Å; P196-N200 WeakPolarHBondContact O-CB 3.09Å; P196-N200 PolarHBondContact O-N 3.48Å; E197-N200 WeakPolarHBondContact O-CB 3.31Å; E197-N200 PolarHBondContact O-N 3.47Å; E197-N200 VanDerWaalsContact O-N 3.1Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 2.9Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 3.22Å; N200-V203 PolarHBondContact O-N 3.27Å; N200-R204 WeakPolarHBondContact O-CB 3.22Å; N200-R204 PolarHBondContact O-N 3.06Å
201	I	98.4	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-35.7	-179.4	66.2	176.1	0	0	0	111.8	W128 L164 N166 E197 L198 Y205 I210	W128-I201 HydrophobicContact CD2-CG2 4.03Å; W128-I201 HydrophobicContact CE3-CG2 4.22Å; W128-I201 HydrophobicContact CH2-CG2 3.59Å; W128-I201 HydrophobicContact CZ2-CG2 3.34Å; W128-I201 HydrophobicContact CZ3-CG2 4.01Å; L164-I201 HydrophobicContact CB-CD1 4.49Å; L164-I201 HydrophobicContact CD1-CB 3.94Å; L164-I201 HydrophobicContact CD1-CD1 4.28Å; L164-I201 HydrophobicContact CD1-CG1 4.45Å; N166-I201 HydrophobicContact CB-CD1 4.2Å; E197-I201 PolarHBondContact O-N 2.96Å; L198-I201 HydrophobicContact CD2-CD1 4.15Å; L198-I201 WeakPolarHBondContact O-CG1 3.48Å; I201-Y205 HydrophobicContact CB-CD2 3.97Å; I201-Y205 HydrophobicContact CB-CE2 4.48Å; I201-Y205 HydrophobicContact CG2-CD2 4.17Å; I201-Y205 HydrophobicContact CG2-CE2 4.2Å; I201-Y205 WeakPolarHBondContact O-CA 3.3Å; I201-Y205 WeakPolarHBondContact O-CB 3.17Å; I201-Y205 PolarHBondContact O-N 3.44Å; I201-I210 HydrophobicContact CD1-CD1 4.37Å
202	V	98.9	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-48.2	177.4	171.8	0	0	0	0	111	L198 Y199 N200 R206 I210 F228 W231 L232 V238	L198-V202 WeakPolarHBondContact O-CB 3.46Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.47Å; L198-V202 PolarHBondContact O-N 2.95Å; L198-V202 VanDerWaalsContact O-N 3.16Å; Y199-V202 PolarHBondContact O-N 3.5Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 3.22Å; V202-R206 VanDerWaalsContact O-CA 3.31Å; V202-R206 WeakPolarHBondContact O-CA 3.47Å; V202-R206 PolarHBondContact O-N 2.86Å; V202-I210 HydrophobicContact CG2-CD1 3.87Å; V202-I210 HydrophobicContact CG2-CG1 4.2Å; V202-F228 HydrophobicContact CG2-CE2 4.47Å; V202-F228 HydrophobicContact CG2-CZ 4.02Å; V202-W231 HydrophobicContact CB-CH2 3.86Å; V202-W231 HydrophobicContact CB-CZ3 3.95Å; V202-W231 HydrophobicContact CG1-CH2 3.51Å; V202-W231 HydrophobicContact CG1-CZ3 3.68Å; V202-W231 HydrophobicContact CG2-CZ3 4.29Å; V202-L232 HydrophobicContact CG1-CD1 3.77Å; V202-L232 HydrophobicContact CG2-CD1 3.94Å; V202-V238 HydrophobicContact CG1-CG2 3.88Å
203	V	98.6	Very high	98.6	Very high	83 Å²	83	26.1 Å²	26.1	50%	0.503	12%	0.118	S	C	.	.	H	α-helix	trans	-68.3	-44.7	-177.4	171.6	0	0	0	0	111.5	Y199 N200 W231	Y199-V203 WeakPolarHBondContact O-CB 3.36Å; Y199-V203 VanDerWaalsContact O-CG2 3.28Å; Y199-V203 WeakPolarHBondContact O-CG2 3.37Å; Y199-V203 PolarHBondContact O-N 3.15Å; N200-V203 PolarHBondContact O-N 3.27Å; V203-W231 HydrophobicContact CG2-CH2 4.03Å; V203-W231 HydrophobicContact CG2-CZ2 4Å
204	R	98.2	Very high	98.5	Very high	97 Å²	97	25.7 Å²	25.7	37%	0.366	12%	0.116	S	C	.	.	H	α-helix	trans	-75.9	-52.1	-175.5	-173.1	172.1	175.3	-165.1	-6.8	111.7	D146 E149 N200	D146-R204 IonicContact OD2-CZ 3.85Å; D146-R204 IonicContact OD2-NH1 3.17Å; D146-R204 PolarHBondContact OD2-NH1 3.21Å; D146-R204 IonicContact OD2-NH2 3.81Å; D146-R204 PolarHBondContact OD2-NH2 2.94Å; E149-R204 IonicContact OE1-NE 3.35Å; E149-R204 IonicContact OE1-NH2 2.76Å; E149-R204 IonicContact OE2-CZ 3.61Å; E149-R204 IonicContact OE2-NH2 2.7Å; E149-R204 PolarHBondContact OE2-NH2 3.41Å; N200-R204 WeakPolarHBondContact O-CB 3.22Å; N200-R204 PolarHBondContact O-N 3.06Å
205	Y	98.8	Very high	98.4	Very high	6 Å²	6	26.1 Å²	26.1	2%	0.024	12%	0.119	C	C	.	.	H	α-helix	trans	-98.2	-8.3	-169.5	-53.3	-59.6	0	0	0	113.8	W128 D146 V148 E149 R156 L164 I201	W128-Y205 HydrophobicContact CB-CE2 4.1Å; W128-Y205 WeakPolarHBondContact CB-OH 3.11Å; W128-Y205 AromaticContact CD1-CE2 3.84Å; W128-Y205 VanDerWaalsContact CD1-OH 3.27Å; W128-Y205 HydrophobicContact CD2-CE2 4.41Å; W128-Y205 AromaticContact CG-CE2 3.87Å; W128-Y205 HydrophobicContact CG-CE2 3.87Å; D146-Y205 PolarHBondContact OD1-OH 3.49Å; D146-Y205 VanDerWaalsContact OD1-OH 3.13Å; D146-Y205 PolarHBondContact OD2-OH 2.88Å; V148-Y205 HydrophobicContact CB-CD2 4.44Å; V148-Y205 HydrophobicContact CB-CE1 4.41Å; V148-Y205 HydrophobicContact CB-CE2 4.2Å; V148-Y205 HydrophobicContact CG1-CD1 3.86Å; V148-Y205 HydrophobicContact CG1-CD2 3.44Å; V148-Y205 VanDerWaalsContact CG1-CD2 3.44Å; V148-Y205 HydrophobicContact CG1-CE1 4.05Å; V148-Y205 HydrophobicContact CG1-CE2 3.66Å; V148-Y205 HydrophobicContact CG1-CG 3.55Å; E149-Y205 HydrophobicContact CB-CD1 4.29Å; E149-Y205 HydrophobicContact CB-CE1 3.73Å; E149-Y205 HydrophobicContact CG-CE1 4.2Å; R156-Y205 PolarHBondContact NH2-O 2.87Å; L164-Y205 HydrophobicContact CD1-CD2 4.11Å; L164-Y205 HydrophobicContact CD1-CG 4.49Å; I201-Y205 HydrophobicContact CB-CD2 3.97Å; I201-Y205 HydrophobicContact CB-CE2 4.48Å; I201-Y205 HydrophobicContact CG2-CD2 4.17Å; I201-Y205 HydrophobicContact CG2-CE2 4.2Å; I201-Y205 WeakPolarHBondContact O-CA 3.3Å; I201-Y205 WeakPolarHBondContact O-CB 3.17Å; I201-Y205 PolarHBondContact O-N 3.44Å
206	R	98.8	Very high	98.3	Very high	154 Å²	154	30.5 Å²	30.5	58%	0.581	14%	0.135	S	C	*	.			trans	44.2	56.2	178	-56.6	-177.7	-170.2	136.8	2.4	113.4	R156 V202 P237 V238	R156-R206 PolarHBondContact NH2-O 2.88Å; V202-R206 VanDerWaalsContact O-CA 3.31Å; V202-R206 WeakPolarHBondContact O-CA 3.47Å; V202-R206 PolarHBondContact O-N 2.86Å; R206-P237 HydrophobicContact CG-CB 4.23Å; R206-P237 HydrophobicContact CG-CG 4.04Å; R206-V238 VanDerWaalsContact CA-CG1 3.48Å; R206-V238 HydrophobicContact CB-CG1 3.58Å; R206-V238 HydrophobicContact CG-CG1 4.31Å
207	P	98.8	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.138	C	C	.	.			trans	-71.4	143.8	176.4	33.3	-36.1	0	0	0	111	Y162 L164 I210	Y162-P207 CarbonylContact O-C 3.57Å; Y162-P207 VanDerWaalsContact O-CA 3.25Å; Y162-P207 WeakPolarHBondContact O-CA 3.17Å; L164-P207 HydrophobicContact CB-CB 4.33Å; L164-P207 HydrophobicContact CD1-CB 4.17Å; L164-P207 HydrophobicContact CD1-CG 4.16Å; L164-P207 HydrophobicContact CG-CB 3.98Å; L164-P207 HydrophobicContact CG-CG 4.44Å; P207-I210 HydrophobicContact CB-CD1 4.06Å; P207-I210 HydrophobicContact CG-CD1 3.27Å; P207-I210 HydrophobicContact CG-CG1 4.2Å
208	E	98.7	Very high	98.2	Very high	31 Å²	31	31.7 Å²	31.7	15%	0.145	14%	0.138	C	C	.	.	S	Bend	trans	-95.8	-9.4	177.5	-60	179.5	91	0	0	111.8	W33 H161 Y162 T241 V242 V243	W33-E208 HydrophobicContact CH2-CB 4.35Å; W33-E208 HydrophobicContact CZ2-CB 3.82Å; W33-E208 WeakPolarHBondContact CZ2-O 3.45Å; H161-E208 WeakPolarHBondContact CA-OE2 3.32Å; H161-E208 HydrophobicContact CB-CB 4.44Å; H161-E208 WeakPolarHBondContact CB-OE2 3.21Å; H161-E208 IonicContact CE1-OE1 2.61Å; H161-E208 PolarHBondContact CE1-OE1 2.93Å; H161-E208 IonicContact CE1-OE2 2.85Å; H161-E208 IonicContact CG-OE2 3.56Å; H161-E208 IonicContact ND1-OE1 2.74Å; H161-E208 PolarHBondContact ND1-OE1 2.83Å; H161-E208 IonicContact ND1-OE2 2.86Å; H161-E208 PolarHBondContact ND1-OE2 3.09Å; Y162-E208 PolarHBondContact O-N 3.44Å; E208-T241 WeakPolarHBondContact OE1-CB 3.5Å; E208-V242 CarbonylContact O-C 3.5Å; E208-V242 VanDerWaalsContact O-CA 3.28Å; E208-V242 WeakPolarHBondContact O-CA 3.38Å; E208-V243 WeakPolarHBondContact O-CG2 3.46Å; E208-V243 PolarHBondContact O-N 2.85Å
209	V	98.9	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.6	165.2	-173.7	0	0	0	0	108.3	W33 Y34 Y114 V116 G163 L164 W211 V243 F259	W33-V209 HydrophobicContact CH2-CG2 3.7Å; W33-V209 HydrophobicContact CZ2-CG2 4.28Å; Y34-V209 HydrophobicContact CE2-CG2 4.42Å; Y114-V209 HydrophobicContact CD2-CG2 4.24Å; V116-V209 HydrophobicContact CG2-CB 4.37Å; V116-V209 HydrophobicContact CG2-CG1 4.32Å; G163-V209 CarbonylContact C-O 3.5Å; G163-V209 WeakPolarHBondContact CA-O 3.28Å; L164-V209 PolarHBondContact N-O 2.94Å; V209-W211 HydrophobicContact CG1-CB 4.37Å; V209-V243 WeakPolarHBondContact CA-O 3.33Å; V209-V243 HydrophobicContact CB-CG2 4.24Å; V209-V243 HydrophobicContact CG1-CG2 4.19Å; V209-V243 HydrophobicContact CG2-CG2 3.78Å; V209-F259 HydrophobicContact CG1-CE1 4.42Å; V209-F259 HydrophobicContact CG1-CZ 4.25Å
210	I	98.8	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109	161.9	-61.6	-65.2	0	0	0	107.7	L164 I201 V202 P207 L232 V242 V243 T244 W248	L164-I210 WeakPolarHBondContact O-CA 3.47Å; I201-I210 HydrophobicContact CD1-CD1 4.37Å; V202-I210 HydrophobicContact CG2-CD1 3.87Å; V202-I210 HydrophobicContact CG2-CG1 4.2Å; P207-I210 HydrophobicContact CB-CD1 4.06Å; P207-I210 HydrophobicContact CG-CD1 3.27Å; P207-I210 HydrophobicContact CG-CG1 4.2Å; I210-L232 HydrophobicContact CG1-CD2 4.47Å; I210-V242 HydrophobicContact CG1-CG2 4.18Å; I210-V243 PolarHBondContact N-O 3.25Å; I210-T244 HydrophobicContact CB-CG2 4.19Å; I210-T244 WeakPolarHBondContact O-CA 3.4Å; I210-W248 HydrophobicContact CG2-CH2 3.62Å; I210-W248 HydrophobicContact CG2-CZ2 3.85Å
211	W	98.8	Very high	98.1	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	98.2	-179.2	-151	110.1	0	0	0	108.6	F42 V116 L164 Y165 N166 V209 D213 N245 N261 E277 C279	F42-W211 HydrophobicContact CE1-CD2 4.31Å; F42-W211 HydrophobicContact CE1-CZ2 4.45Å; F42-W211 HydrophobicContact CZ-CD2 4.29Å; F42-W211 HydrophobicContact CZ-CE3 4.48Å; F42-W211 HydrophobicContact CZ-CG 4.49Å; V116-W211 HydrophobicContact CG1-CB 4.07Å; L164-W211 PolarHBondContact O-N 2.93Å; Y165-W211 CarbonylContact C-O 3.51Å; Y165-W211 WeakPolarHBondContact CA-O 3.29Å; Y165-W211 HydrophobicContact CD2-CB 4.46Å; Y165-W211 HydrophobicContact CD2-CD2 4.11Å; Y165-W211 AromaticContact CD2-CE3 3.33Å; Y165-W211 HydrophobicContact CD2-CE3 3.33Å; Y165-W211 AromaticContact CD2-CZ3 3.88Å; Y165-W211 HydrophobicContact CD2-CZ3 3.88Å; Y165-W211 AromaticContact CE2-CE3 3.62Å; Y165-W211 HydrophobicContact CE2-CE3 3.62Å; Y165-W211 AromaticContact CE2-CZ3 3.66Å; Y165-W211 HydrophobicContact CE2-CZ3 3.66Å; N166-W211 PolarHBondContact N-O 2.83Å; V209-W211 HydrophobicContact CG1-CB 4.37Å; W211-D213 HydrophobicContact CE3-CB 4.24Å; W211-D213 HydrophobicContact CZ3-CB 3.77Å; W211-N245 HydrophobicContact CD2-CB 4.48Å; W211-N245 VanDerWaalsContact CD2-ND2 3.27Å; W211-N261 HydrophobicContact CZ2-CB 4.32Å; W211-E277 PolarHBondContact NE1-OE1 3.24Å; W211-C279 HydrophobicContact CZ2-CB 4.31Å
212	S	98.4	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	156.9	179.8	58.7	0	0	0	0	111.6	N166 N245 R247 W248	N166-S212 WeakPolarHBondContact O-CA 3.18Å; S212-N245 PolarHBondContact N-OD1 3.03Å; S212-N245 PolarHBondContact O-ND2 2.88Å; S212-N245 PolarHBondContact OG-OD1 3.41Å; S212-R247 WeakPolarHBondContact CB-O 3.42Å; S212-R247 VanDerWaalsContact O-CB 3.27Å; S212-R247 WeakPolarHBondContact O-CB 3.25Å; S212-R247 VanDerWaalsContact OG-C 3.31Å; S212-R247 PolarHBondContact OG-O 2.79Å; S212-W248 WeakPolarHBondContact OG-CZ2 3.41Å; S212-W248 PolarHBondContact OG-NE1 2.75Å
213	D	98.4	Very high	98.1	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	168.7	178.2	-159.9	13.5	0	0	0	111.3	H122 Y165 N166 S167 L168 W211 D215 R247	H122-D213 IonicContact CE1-OD2 3.84Å; Y165-D213 HydrophobicContact CD2-CB 4.25Å; Y165-D213 HydrophobicContact CE2-CB 3.26Å; Y165-D213 WeakPolarHBondContact CE2-OD2 3.37Å; Y165-D213 VanDerWaalsContact CZ-CB 3.44Å; Y165-D213 WeakPolarHBondContact OH-CB 3.44Å; Y165-D213 PolarHBondContact OH-OD2 2.92Å; N166-D213 PolarHBondContact O-N 2.88Å; S167-D213 CarbonylContact C-O 3.58Å; S167-D213 WeakPolarHBondContact CA-O 3.33Å; L168-D213 WeakPolarHBondContact CB-O 3.47Å; L168-D213 WeakPolarHBondContact CG-O 3.18Å; L168-D213 PolarHBondContact N-O 2.94Å; W211-D213 HydrophobicContact CE3-CB 4.24Å; W211-D213 HydrophobicContact CZ3-CB 3.77Å; D213-D215 VanDerWaalsContact C-N 3.31Å; D213-R247 VanDerWaalsContact OD1-CD 3.32Å; D213-R247 WeakPolarHBondContact OD1-CD 3.35Å; D213-R247 IonicContact OD1-CZ 2.71Å; D213-R247 IonicContact OD1-NE 2.79Å; D213-R247 IonicContact OD1-NH1 3.03Å; D213-R247 PolarHBondContact OD1-NH1 3.14Å; D213-R247 IonicContact OD2-NH1 2.7Å
214	G	96.9	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.			trans	78.7	21.1	179.8	0	0	0	0	0	113.6	Y169	Y169-G214 VanDerWaalsContact CD1-O 3.23Å; Y169-G214 WeakPolarHBondContact CD1-O 3.32Å; Y169-G214 VanDerWaalsContact CE1-CA 3.47Å
215	D	96.3	Very high	98.1	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	14%	0.135	C	C	.	.			trans	-83.9	-15.5	-172	67.7	-53.4	0	0	0	113.7	L168 D213 E217 A218 W223 R247 W248 G249 Q250	L168-D215 HydrophobicContact CD1-CB 3.73Å; D213-D215 VanDerWaalsContact C-N 3.31Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.45Å; D215-A218 PolarHBondContact O-N 3.3Å; D215-W223 PolarHBondContact O-NE1 2.94Å; D215-W223 VanDerWaalsContact O-NE1 3.12Å; D215-R247 WeakPolarHBondContact CB-O 3.24Å; D215-R247 VanDerWaalsContact OD2-C 3.25Å; D215-R247 WeakPolarHBondContact OD2-CA 2.8Å; D215-W248 PolarHBondContact OD2-N 3.28Å; D215-G249 PolarHBondContact OD2-N 3.03Å; D215-G249 VanDerWaalsContact OD2-N 3.13Å; D215-G249 VanDerWaalsContact OD2-O 3.04Å; D215-Q250 PolarHBondContact O-N 3.13Å
216	W	96.4	Very high	98.1	Very high	100 Å²	100	28.9 Å²	28.9	38%	0.379	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.3	-168.3	59.3	80	0	0	0	115.6	W57 H122 Y169	W57-W216 HydrophobicContact CH2-CH2 4.18Å; W57-W216 AromaticContact CH2-CZ2 3.96Å; W57-W216 HydrophobicContact CH2-CZ2 3.96Å; W57-W216 HydrophobicContact CZ2-CH2 4Å; W57-W216 HydrophobicContact CZ2-CZ2 4.25Å; H122-W216 AromaticContact CE1-CH2 3.99Å; H122-W216 AromaticContact NE2-CH2 3.77Å; Y169-W216 AromaticContact CE1-CH2 3.77Å; Y169-W216 HydrophobicContact CE1-CH2 3.77Å; Y169-W216 AromaticContact CE1-CZ2 3.57Å; Y169-W216 HydrophobicContact CE1-CZ2 3.57Å; Y169-W216 AromaticContact CZ-CZ2 3.86Å
217	E	97	Very high	98.1	Very high	49 Å²	49	26.5 Å²	26.5	23%	0.229	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.1	-176.2	-61.4	-156.1	146.1	0	0	113.7	Y176 K180 F184 D215	Y176-E217 WeakPolarHBondContact OH-CB 3.29Å; Y176-E217 PolarHBondContact OH-OE2 2.69Å; K180-E217 WeakPolarHBondContact CD-OE2 3.29Å; K180-E217 VanDerWaalsContact CE-OE2 3.23Å; K180-E217 WeakPolarHBondContact CE-OE2 3.36Å; K180-E217 IonicContact NZ-OE1 3.53Å; K180-E217 PolarHBondContact NZ-OE1 3.05Å; K180-E217 IonicContact NZ-OE2 3.24Å; K180-E217 PolarHBondContact NZ-OE2 3.23Å; F184-E217 HydrophobicContact CE2-CB 4.48Å; F184-E217 WeakPolarHBondContact CE2-O 3.41Å; F184-E217 HydrophobicContact CZ-CB 4.01Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.45Å
218	A	98	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-147	154.2	-173.5	0	0	0	0	0	112.3	F184 D215 Y222 W223 Q250	F184-A218 HydrophobicContact CB-CB 4.48Å; F184-A218 HydrophobicContact CD1-CB 3.91Å; F184-A218 HydrophobicContact CD2-CB 3.85Å; F184-A218 HydrophobicContact CE1-CB 4.01Å; F184-A218 HydrophobicContact CE2-CB 3.97Å; F184-A218 HydrophobicContact CG-CB 3.82Å; F184-A218 HydrophobicContact CZ-CB 4.02Å; D215-A218 PolarHBondContact O-N 3.3Å; A218-Y222 HydrophobicContact CB-CD1 3.29Å; A218-Y222 HydrophobicContact CB-CE1 3.95Å; A218-Y222 HydrophobicContact CB-CG 3.9Å; A218-W223 HydrophobicContact CB-CZ2 3.83Å; A218-W223 PolarHBondContact O-NE1 3.36Å; A218-Q250 WeakPolarHBondContact O-CB 3.5Å; A218-Q250 PolarHBondContact O-N 3.33Å
219	P	97.9	Very high	98.1	Very high	45 Å²	45	25.1 Å²	25.1	29%	0.292	13%	0.128	S	C	.	.			trans	-69.6	160.3	179.3	30.2	-36.4	0	0	0	112.1	T221 Y222 W223	P219-T221 WeakPolarHBondContact CG-OG1 3.48Å; P219-T221 PolarHBondContact O-N 3.07Å; P219-T221 VanDerWaalsContact O-N 3.1Å; P219-Y222 PolarHBondContact O-N 3Å; P219-W223 PolarHBondContact O-N 2.82Å
220	D	97.9	Very high	98.1	Very high	31 Å²	31	25.4 Å²	25.4	17%	0.166	13%	0.131	C	C	.	.	H	α-helix	trans	-54.1	-28.6	174.5	65.5	-45.8	0	0	0	113.5	W22 W223 N224 S225 W248 T252	W22-D220 HydrophobicContact CZ2-CB 3.87Å; W22-D220 PolarHBondContact NE1-OD2 3.3Å; D220-W223 PolarHBondContact O-N 3.44Å; D220-N224 WeakPolarHBondContact O-CA 3.18Å; D220-N224 PolarHBondContact O-N 3.49Å; D220-S225 PolarHBondContact O-N 3.43Å; D220-W248 WeakPolarHBondContact CA-O 3.06Å; D220-T252 HydrophobicContact CB-CG2 4.18Å
221	T	98.1	Very high	98.1	Very high	97 Å²	97	28 Å²	28	60%	0.595	14%	0.141	S	C	*	.	H	α-helix	trans	-66.3	-38.2	174.1	50.6	0	0	0	0	113.2	Q187 P219 N224	Q187-T221 PolarHBondContact NE2-O 3.13Å; P219-T221 WeakPolarHBondContact CG-OG1 3.48Å; P219-T221 PolarHBondContact O-N 3.07Å; P219-T221 VanDerWaalsContact O-N 3.1Å; T221-N224 PolarHBondContact O-N 2.92Å
222	Y	98.6	Very high	98.1	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-70.5	-42.4	172.9	164.7	-99	0	0	0	110.8	Y176 D179 F184 T186 Q187 V190 A218 P219 N224	Y176-Y222 HydrophobicContact CE2-CE1 4.4Å; D179-Y222 HydrophobicContact CB-CE2 3.87Å; D179-Y222 WeakPolarHBondContact CB-OH 3.48Å; D179-Y222 PolarHBondContact OD2-OH 3.02Å; F184-Y222 HydrophobicContact CB-CD2 3.69Å; F184-Y222 HydrophobicContact CB-CE2 4.17Å; F184-Y222 HydrophobicContact CB-CG 3.9Å; F184-Y222 AromaticContact CD1-CD1 3.97Å; F184-Y222 HydrophobicContact CD1-CD1 3.97Å; F184-Y222 HydrophobicContact CD1-CD2 4.01Å; F184-Y222 AromaticContact CD1-CE1 3.65Å; F184-Y222 HydrophobicContact CD1-CE1 3.65Å; F184-Y222 AromaticContact CD1-CE2 3.75Å; F184-Y222 HydrophobicContact CD1-CE2 3.75Å; F184-Y222 HydrophobicContact CD1-CG 4.11Å; F184-Y222 AromaticContact CD1-CZ 3.55Å; F184-Y222 HydrophobicContact CE1-CE1 4.02Å; F184-Y222 HydrophobicContact CG-CD1 4.45Å; F184-Y222 HydrophobicContact CG-CD2 4.28Å; F184-Y222 HydrophobicContact CG-CE2 4.44Å; F184-Y222 HydrophobicContact CG-CG 4.29Å; T186-Y222 WeakPolarHBondContact O-CD2 3.22Å; T186-Y222 WeakPolarHBondContact O-CE2 3.49Å; Q187-Y222 HydrophobicContact CG-CD2 3.76Å; Q187-Y222 HydrophobicContact CG-CE2 4.2Å; Q187-Y222 PolarHBondContact NE2-O 2.95Å; V190-Y222 HydrophobicContact CG2-CD1 4.17Å; V190-Y222 HydrophobicContact CG2-CD2 4.31Å; V190-Y222 HydrophobicContact CG2-CE1 3.78Å; V190-Y222 HydrophobicContact CG2-CE2 3.87Å; V190-Y222 HydrophobicContact CG2-CG 4.45Å; V190-Y222 WeakPolarHBondContact CG2-O 3.02Å; A218-Y222 HydrophobicContact CB-CD1 3.29Å; A218-Y222 HydrophobicContact CB-CE1 3.95Å; A218-Y222 HydrophobicContact CB-CG 3.9Å; P219-Y222 PolarHBondContact O-N 3Å; Y222-N224 PolarHBondContact O-N 2.88Å
223	W	98.4	Very high	98.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-15.4	176.4	-59.3	121.1	0	0	0	113.6	L168 Y176 F189 V190 L194 D215 A218 P219 D220 S225	L168-W223 HydrophobicContact CB-CD2 4.18Å; L168-W223 HydrophobicContact CB-CE3 3.97Å; L168-W223 HydrophobicContact CB-CH2 4.21Å; L168-W223 HydrophobicContact CB-CZ2 4.42Å; L168-W223 HydrophobicContact CB-CZ3 3.98Å; L168-W223 HydrophobicContact CD1-CB 4.43Å; L168-W223 HydrophobicContact CD1-CD2 4.07Å; L168-W223 HydrophobicContact CD1-CG 4Å; L168-W223 WeakPolarHBondContact O-CZ3 3.4Å; Y176-W223 HydrophobicContact CD2-CH2 4.49Å; Y176-W223 AromaticContact CE2-CH2 3.63Å; Y176-W223 HydrophobicContact CE2-CH2 3.63Å; Y176-W223 HydrophobicContact CE2-CZ3 4.21Å; F189-W223 HydrophobicContact CE1-CZ3 4.32Å; V190-W223 HydrophobicContact CG2-CE3 4.21Å; L194-W223 HydrophobicContact CD2-CE3 3.57Å; L194-W223 HydrophobicContact CD2-CZ3 4.04Å; D215-W223 PolarHBondContact O-NE1 2.94Å; D215-W223 VanDerWaalsContact O-NE1 3.12Å; A218-W223 HydrophobicContact CB-CZ2 3.83Å; A218-W223 PolarHBondContact O-NE1 3.36Å; P219-W223 PolarHBondContact O-N 2.82Å; D220-W223 PolarHBondContact O-N 3.44Å; W223-S225 WeakPolarHBondContact CB-OG 3.46Å; W223-S225 PolarHBondContact O-N 3.3Å
224	N	98.3	Very high	98.1	Very high	41 Å²	41	28.7 Å²	28.7	22%	0.219	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.7	-171.6	-162.8	25.5	0	0	0	112.4	V190 L195 D220 T221 Y222 T226 Q227 F228	V190-N224 HydrophobicContact CG1-CB 4.18Å; L195-N224 HydrophobicContact CD1-CB 3.99Å; D220-N224 WeakPolarHBondContact O-CA 3.18Å; D220-N224 PolarHBondContact O-N 3.49Å; T221-N224 PolarHBondContact O-N 2.92Å; Y222-N224 PolarHBondContact O-N 2.88Å; N224-T226 PolarHBondContact O-N 3.47Å; N224-Q227 PolarHBondContact O-N 2.93Å; N224-Q227 VanDerWaalsContact OD1-CB 3.29Å; N224-Q227 WeakPolarHBondContact OD1-CB 3.49Å; N224-Q227 WeakPolarHBondContact OD1-CG 3.22Å; N224-F228 PolarHBondContact O-N 2.92Å
225	S	98.6	Very high	98.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-42.5	-169.7	-62.4	0	0	0	0	112.6	D220 W223 Q227 F228 L229 W248	D220-S225 PolarHBondContact O-N 3.43Å; W223-S225 WeakPolarHBondContact CB-OG 3.46Å; W223-S225 PolarHBondContact O-N 3.3Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 3.44Å; S225-F228 PolarHBondContact O-N 3.43Å; S225-L229 WeakPolarHBondContact O-CB 3.3Å; S225-L229 VanDerWaalsContact O-CG 3.27Å; S225-L229 WeakPolarHBondContact O-CG 3.45Å; S225-L229 PolarHBondContact O-N 2.6Å; S225-W248 WeakPolarHBondContact CB-O 3.26Å; S225-W248 PolarHBondContact OG-O 2.85Å
226	T	98.6	Very high	98.3	Very high	19 Å²	19	32 Å²	32	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-33.1	-177.7	55.5	0	0	0	0	112.6	A20 W22 L25 N224 A230	A20-T226 PolarHBondContact O-OG1 3.33Å; W22-T226 HydrophobicContact CD2-CG2 3.93Å; W22-T226 VanDerWaalsContact CE2-CG2 3.49Å; W22-T226 HydrophobicContact CE3-CG2 4.44Å; W22-T226 HydrophobicContact CG-CG2 4.38Å; W22-T226 HydrophobicContact CH2-CG2 4.23Å; W22-T226 HydrophobicContact CZ2-CG2 3.68Å; L25-T226 HydrophobicContact CD1-CG2 3.99Å; N224-T226 PolarHBondContact O-N 3.47Å; T226-A230 VanDerWaalsContact O-CB 3.28Å; T226-A230 WeakPolarHBondContact O-CB 3.22Å; T226-A230 PolarHBondContact O-N 2.81Å
227	Q	98.6	Very high	98.4	Very high	103 Å²	103	30.7 Å²	30.7	48%	0.481	17%	0.166	S	C	.	.	H	α-helix	trans	-70.1	-44.5	174.4	-69.6	-71.2	16.6	0	0	111.6	A20 N224 S225 A230 W231	A20-Q227 VanDerWaalsContact CB-CD 3.41Å; A20-Q227 HydrophobicContact CB-CG 4.01Å; N224-Q227 PolarHBondContact O-N 2.93Å; N224-Q227 VanDerWaalsContact OD1-CB 3.29Å; N224-Q227 WeakPolarHBondContact OD1-CB 3.49Å; N224-Q227 WeakPolarHBondContact OD1-CG 3.22Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 3.44Å; Q227-A230 PolarHBondContact O-N 3.5Å; Q227-W231 PolarHBondContact O-N 3.06Å
228	F	98.8	Very high	98.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-47.1	174.9	172.3	-103.3	0	0	0	111.5	L195 L198 Y199 V202 N224 S225 A230 W231 L232 W248	L195-F228 HydrophobicContact CD2-CB 3.94Å; L195-F228 HydrophobicContact CD2-CD2 4.48Å; L195-F228 HydrophobicContact CD2-CG 4.41Å; L198-F228 HydrophobicContact CB-CD2 4.15Å; L198-F228 HydrophobicContact CB-CE2 3.6Å; L198-F228 HydrophobicContact CB-CZ 3.84Å; L198-F228 HydrophobicContact CD1-CD1 4.4Å; L198-F228 HydrophobicContact CD1-CE1 4.38Å; L198-F228 HydrophobicContact CD1-CG 4.49Å; L198-F228 HydrophobicContact CD1-CZ 4.44Å; Y199-F228 HydrophobicContact CD1-CD2 4.44Å; Y199-F228 HydrophobicContact CD1-CE2 4.45Å; Y199-F228 HydrophobicContact CE1-CD2 4.11Å; Y199-F228 HydrophobicContact CE2-CD2 4.44Å; V202-F228 HydrophobicContact CG2-CE2 4.47Å; V202-F228 HydrophobicContact CG2-CZ 4.02Å; N224-F228 PolarHBondContact O-N 2.92Å; S225-F228 PolarHBondContact O-N 3.43Å; F228-A230 PolarHBondContact O-N 2.85Å; F228-W231 HydrophobicContact CD2-CE3 4.17Å; F228-W231 HydrophobicContact CD2-CZ3 4.45Å; F228-W231 AromaticContact CE2-CE3 3.96Å; F228-W231 HydrophobicContact CE2-CE3 3.96Å; F228-W231 AromaticContact CE2-CZ3 3.8Å; F228-W231 HydrophobicContact CE2-CZ3 3.8Å; F228-W231 HydrophobicContact CZ-CZ3 4.46Å; F228-W231 PolarHBondContact O-N 2.97Å; F228-L232 HydrophobicContact CE1-CD2 4.13Å; F228-L232 HydrophobicContact CZ-CD2 4.5Å; F228-L232 WeakPolarHBondContact O-CB 3.29Å; F228-L232 PolarHBondContact O-N 2.59Å; F228-W248 AromaticContact CD1-CH2 3.96Å; F228-W248 HydrophobicContact CD1-CH2 3.96Å; F228-W248 AromaticContact CD1-CZ3 3.75Å; F228-W248 HydrophobicContact CD1-CZ3 3.75Å; F228-W248 AromaticContact CE1-CH2 3.67Å; F228-W248 HydrophobicContact CE1-CH2 3.67Å; F228-W248 AromaticContact CE1-CZ3 3.92Å; F228-W248 HydrophobicContact CE1-CZ3 3.92Å
229	L	98.8	Very high	98.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-38.4	178.7	-68	175.2	0	0	0	112.2	W22 L25 S225 L232 Y233 T244 W248	W22-L229 HydrophobicContact CH2-CD1 3.67Å; W22-L229 HydrophobicContact CZ3-CD1 3.59Å; L25-L229 HydrophobicContact CD1-CB 3.94Å; L25-L229 HydrophobicContact CD1-CD1 4.29Å; L25-L229 HydrophobicContact CD2-CB 4.01Å; S225-L229 WeakPolarHBondContact O-CB 3.3Å; S225-L229 VanDerWaalsContact O-CG 3.27Å; S225-L229 WeakPolarHBondContact O-CG 3.45Å; S225-L229 PolarHBondContact O-N 2.6Å; L229-L232 HydrophobicContact CD2-CD2 4.12Å; L229-L232 WeakPolarHBondContact O-CB 3.4Å; L229-L232 PolarHBondContact O-N 2.83Å; L229-Y233 HydrophobicContact CB-CE2 4.27Å; L229-Y233 WeakPolarHBondContact O-CB 3.46Å; L229-Y233 VanDerWaalsContact O-CD2 3.3Å; L229-Y233 WeakPolarHBondContact O-CD2 3.49Å; L229-Y233 VanDerWaalsContact O-CG 3.26Å; L229-Y233 PolarHBondContact O-N 2.72Å; L229-T244 HydrophobicContact CD2-CG2 3.7Å; L229-W248 HydrophobicContact CD1-CD2 4.19Å; L229-W248 HydrophobicContact CD1-CG 4.15Å; L229-W248 HydrophobicContact CD2-CD2 4.27Å; L229-W248 HydrophobicContact CD2-CH2 4.21Å; L229-W248 HydrophobicContact CD2-CZ2 3.91Å; L229-W248 HydrophobicContact CG-CD2 4.45Å
230	A	98.8	Very high	98.4	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-43.4	174.3	0	0	0	0	0	111.6	A20 L25 T226 Q227 F228 N234	A20-A230 HydrophobicContact CB-CB 4.03Å; L25-A230 HydrophobicContact CD2-CB 4.21Å; T226-A230 VanDerWaalsContact O-CB 3.28Å; T226-A230 WeakPolarHBondContact O-CB 3.22Å; T226-A230 PolarHBondContact O-N 2.81Å; Q227-A230 PolarHBondContact O-N 3.5Å; F228-A230 PolarHBondContact O-N 2.85Å; A230-N234 VanDerWaalsContact O-CB 3.28Å; A230-N234 WeakPolarHBondContact O-CB 3.27Å; A230-N234 VanDerWaalsContact O-CG 3.27Å; A230-N234 PolarHBondContact O-N 3.2Å; A230-N234 VanDerWaalsContact O-N 3.13Å; A230-N234 PolarHBondContact O-ND2 3.42Å
231	W	98.8	Very high	98.4	Very high	54 Å²	54	37.5 Å²	37.5	21%	0.205	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-45.1	171.9	168.7	85.8	0	0	0	111.7	Y199 V202 V203 Q227 F228 Y233 N234 D235 S236	Y199-W231 AromaticContact CD1-CD2 3.65Å; Y199-W231 HydrophobicContact CD1-CD2 3.65Å; Y199-W231 AromaticContact CD1-CE2 3.7Å; Y199-W231 AromaticContact CD1-CE3 3.54Å; Y199-W231 HydrophobicContact CD1-CE3 3.54Å; Y199-W231 HydrophobicContact CD1-CG 4.41Å; Y199-W231 AromaticContact CD1-CH2 3.59Å; Y199-W231 HydrophobicContact CD1-CH2 3.59Å; Y199-W231 AromaticContact CD1-CZ2 3.7Å; Y199-W231 HydrophobicContact CD1-CZ2 3.7Å; Y199-W231 AromaticContact CD1-CZ3 3.51Å; Y199-W231 HydrophobicContact CD1-CZ3 3.51Å; Y199-W231 HydrophobicContact CE1-CB 4.19Å; Y199-W231 AromaticContact CE1-CD2 3.29Å; Y199-W231 HydrophobicContact CE1-CD2 3.29Å; Y199-W231 AromaticContact CE1-CE2 3.73Å; Y199-W231 AromaticContact CE1-CE3 3.38Å; Y199-W231 HydrophobicContact CE1-CE3 3.38Å; Y199-W231 AromaticContact CE1-CG 3.64Å; Y199-W231 HydrophobicContact CE1-CG 3.64Å; Y199-W231 HydrophobicContact CE1-CH2 4.28Å; Y199-W231 HydrophobicContact CE1-CZ2 4.22Å; Y199-W231 AromaticContact CE1-CZ3 3.88Å; Y199-W231 HydrophobicContact CE1-CZ3 3.88Å; V202-W231 HydrophobicContact CB-CH2 3.86Å; V202-W231 HydrophobicContact CB-CZ3 3.95Å; V202-W231 HydrophobicContact CG1-CH2 3.51Å; V202-W231 HydrophobicContact CG1-CZ3 3.68Å; V202-W231 HydrophobicContact CG2-CZ3 4.29Å; V203-W231 HydrophobicContact CG2-CH2 4.03Å; V203-W231 HydrophobicContact CG2-CZ2 4Å; Q227-W231 PolarHBondContact O-N 3.06Å; F228-W231 HydrophobicContact CD2-CE3 4.17Å; F228-W231 HydrophobicContact CD2-CZ3 4.45Å; F228-W231 AromaticContact CE2-CE3 3.96Å; F228-W231 HydrophobicContact CE2-CE3 3.96Å; F228-W231 AromaticContact CE2-CZ3 3.8Å; F228-W231 HydrophobicContact CE2-CZ3 3.8Å; F228-W231 HydrophobicContact CZ-CZ3 4.46Å; F228-W231 PolarHBondContact O-N 2.97Å; W231-Y233 PolarHBondContact O-N 3.32Å; W231-N234 PolarHBondContact O-N 2.89Å; W231-D235 PolarHBondContact O-N 3.22Å; W231-S236 PolarHBondContact O-N 2.63Å
232	L	98.8	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.2	-43.2	-178.6	-176.7	64.1	0	0	0	111	V202 I210 F228 L229 S236 V238 K239 V242 T244	V202-L232 HydrophobicContact CG1-CD1 3.77Å; V202-L232 HydrophobicContact CG2-CD1 3.94Å; I210-L232 HydrophobicContact CG1-CD2 4.47Å; F228-L232 HydrophobicContact CE1-CD2 4.13Å; F228-L232 HydrophobicContact CZ-CD2 4.5Å; F228-L232 WeakPolarHBondContact O-CB 3.29Å; F228-L232 PolarHBondContact O-N 2.59Å; L229-L232 HydrophobicContact CD2-CD2 4.12Å; L229-L232 WeakPolarHBondContact O-CB 3.4Å; L229-L232 PolarHBondContact O-N 2.83Å; L232-S236 VanDerWaalsContact O-CB 3.3Å; L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-OG 2.79Å; L232-V238 HydrophobicContact CD1-CG2 4.05Å; L232-K239 WeakPolarHBondContact O-CA 3.47Å; L232-K239 WeakPolarHBondContact O-CB 3.16Å; L232-V242 HydrophobicContact CD1-CG1 4.11Å; L232-V242 HydrophobicContact CD1-CG2 4.23Å; L232-V242 HydrophobicContact CD2-CG1 4.17Å; L232-V242 HydrophobicContact CD2-CG2 4.04Å; L232-V242 HydrophobicContact CG-CG1 3.81Å; L232-V242 HydrophobicContact CG-CG2 4.34Å; L232-T244 HydrophobicContact CD2-CG2 3.63Å
233	Y	98.4	Very high	98.4	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.055	17%	0.17	C	C	.	.	H	α-helix	trans	-86.4	-15.6	-177.3	-58.9	-26.9	0	0	0	115	Y18 L25 L229 W231 V242 T244	Y18-Y233 VanDerWaalsContact CD2-CB 3.49Å; L25-Y233 HydrophobicContact CD2-CD2 3.74Å; L25-Y233 HydrophobicContact CD2-CE2 4.05Å; L229-Y233 HydrophobicContact CB-CE2 4.27Å; L229-Y233 WeakPolarHBondContact O-CB 3.46Å; L229-Y233 VanDerWaalsContact O-CD2 3.3Å; L229-Y233 WeakPolarHBondContact O-CD2 3.49Å; L229-Y233 VanDerWaalsContact O-CG 3.26Å; L229-Y233 PolarHBondContact O-N 2.72Å; W231-Y233 PolarHBondContact O-N 3.32Å; Y233-V242 HydrophobicContact CD1-CG1 4.03Å; Y233-V242 HydrophobicContact CE1-CG1 4.09Å; Y233-T244 HydrophobicContact CE1-CG2 4.39Å; Y233-T244 PolarHBondContact OH-OG1 2.94Å
234	N	98.3	Very high	98.4	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-103.7	-43.5	-179.1	-72.3	-49.6	0	0	0	113.4	R17 Y18 A230 W231 K239	R17-N234 VanDerWaalsContact CA-OD1 3.31Å; R17-N234 WeakPolarHBondContact CA-OD1 3.34Å; Y18-N234 PolarHBondContact N-ND2 3.38Å; Y18-N234 PolarHBondContact N-OD1 3.45Å; Y18-N234 PolarHBondContact O-ND2 2.92Å; A230-N234 VanDerWaalsContact O-CB 3.28Å; A230-N234 WeakPolarHBondContact O-CB 3.27Å; A230-N234 VanDerWaalsContact O-CG 3.27Å; A230-N234 PolarHBondContact O-N 3.2Å; A230-N234 VanDerWaalsContact O-N 3.13Å; A230-N234 PolarHBondContact O-ND2 3.42Å; W231-N234 PolarHBondContact O-N 2.89Å; N234-K239 WeakPolarHBondContact O-CD 3.2Å; N234-K239 PolarHBondContact O-NZ 2.95Å
235	D	98.1	Very high	98.4	Very high	79 Å²	79	30.6 Å²	30.6	42%	0.422	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-14.6	-160	-54.2	-52.2	0	0	0	113.6	R17 W231	R17-D235 IonicContact CZ-OD1 2.66Å; R17-D235 IonicContact CZ-OD2 3.43Å; R17-D235 IonicContact NH1-OD1 3.98Å; R17-D235 PolarHBondContact NH1-OD1 3.21Å; R17-D235 IonicContact NH2-OD1 3.41Å; R17-D235 PolarHBondContact NH2-OD1 3.11Å; R17-D235 IonicContact NH2-OD2 2.59Å; R17-D235 PolarHBondContact NH2-OD2 3.13Å; W231-D235 PolarHBondContact O-N 3.22Å
236	S	98.6	Very high	98.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-67.4	158	178.5	88	0	0	0	0	112.6	W231 L232 V238 K239	W231-S236 PolarHBondContact O-N 2.63Å; L232-S236 VanDerWaalsContact O-CB 3.3Å; L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-OG 2.79Å; S236-V238 PolarHBondContact O-N 3.39Å; S236-V238 VanDerWaalsContact O-N 3.12Å; S236-V238 WeakPolarHBondContact OG-CG2 3.2Å; S236-V238 PolarHBondContact OG-N 3.18Å; S236-K239 WeakPolarHBondContact O-CG 3.49Å; S236-K239 PolarHBondContact O-N 2.99Å; S236-K239 PolarHBondContact OG-N 3.1Å
237	P	98.6	Very high	98.4	Very high	72 Å²	72	30.3 Å²	30.3	47%	0.468	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.1	176.4	29.1	-36.8	0	0	0	114.2	R206	R206-P237 HydrophobicContact CG-CB 4.23Å; R206-P237 HydrophobicContact CG-CG 4.04Å
238	V	98.5	Very high	98.4	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.036	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	10.9	-177.3	-65.4	0	0	0	0	112.7	V202 R206 L232 S236 D240 T241 V242	V202-V238 HydrophobicContact CG1-CG2 3.88Å; R206-V238 VanDerWaalsContact CA-CG1 3.48Å; R206-V238 HydrophobicContact CB-CG1 3.58Å; R206-V238 HydrophobicContact CG-CG1 4.31Å; L232-V238 HydrophobicContact CD1-CG2 4.05Å; S236-V238 PolarHBondContact O-N 3.39Å; S236-V238 VanDerWaalsContact O-N 3.12Å; S236-V238 WeakPolarHBondContact OG-CG2 3.2Å; S236-V238 PolarHBondContact OG-N 3.18Å; V238-D240 PolarHBondContact O-N 2.74Å; V238-T241 PolarHBondContact O-N 3.39Å; V238-T241 PolarHBondContact O-OG1 2.71Å; V238-V242 HydrophobicContact CB-CB 4.07Å; V238-V242 HydrophobicContact CG2-CB 3.76Å; V238-V242 HydrophobicContact CG2-CG1 4.11Å; V238-V242 HydrophobicContact CG2-CG2 4.17Å; V238-V242 WeakPolarHBondContact O-CB 3.47Å; V238-V242 VanDerWaalsContact O-CG1 3.26Å; V238-V242 WeakPolarHBondContact O-CG1 3.15Å; V238-V242 PolarHBondContact O-N 3.49Å
239	K	97.9	Very high	98.4	Very high	83 Å²	83	25.4 Å²	25.4	36%	0.361	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-30.9	-175.4	63.6	-177.7	-177.2	178.1	0	115	R28 L232 N234 S236	R28-K239 PolarHBondContact NH2-O 3.34Å; L232-K239 WeakPolarHBondContact O-CA 3.47Å; L232-K239 WeakPolarHBondContact O-CB 3.16Å; N234-K239 WeakPolarHBondContact O-CD 3.2Å; N234-K239 PolarHBondContact O-NZ 2.95Å; S236-K239 WeakPolarHBondContact O-CG 3.49Å; S236-K239 PolarHBondContact O-N 2.99Å; S236-K239 PolarHBondContact OG-N 3.1Å
240	D	96.5	Very high	98.3	Very high	132 Å²	132	31.3 Å²	31.3	71%	0.706	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.6	-177.3	-59.2	-47.3	0	0	0	113.1	V238	V238-D240 PolarHBondContact O-N 2.74Å
241	T	97.8	Very high	98.1	Very high	46 Å²	46	33.8 Å²	33.8	28%	0.282	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-25.7	-174.1	57.7	0	0	0	0	113.7	W33 E208 V238	W33-T241 PolarHBondContact NE1-O 2.66Å; E208-T241 WeakPolarHBondContact OE1-CB 3.5Å; V238-T241 PolarHBondContact O-N 3.39Å; V238-T241 PolarHBondContact O-OG1 2.71Å
242	V	98.7	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.			trans	-66.5	141.9	-170.7	68.3	0	0	0	0	113.2	R28 E208 I210 L232 Y233 V238	R28-V242 VanDerWaalsContact CZ-O 3.26Å; R28-V242 PolarHBondContact NH1-O 3.1Å; R28-V242 PolarHBondContact NH2-O 2.93Å; E208-V242 CarbonylContact O-C 3.5Å; E208-V242 VanDerWaalsContact O-CA 3.28Å; E208-V242 WeakPolarHBondContact O-CA 3.38Å; I210-V242 HydrophobicContact CG1-CG2 4.18Å; L232-V242 HydrophobicContact CD1-CG1 4.11Å; L232-V242 HydrophobicContact CD1-CG2 4.23Å; L232-V242 HydrophobicContact CD2-CG1 4.17Å; L232-V242 HydrophobicContact CD2-CG2 4.04Å; L232-V242 HydrophobicContact CG-CG1 3.81Å; L232-V242 HydrophobicContact CG-CG2 4.34Å; Y233-V242 HydrophobicContact CD1-CG1 4.03Å; Y233-V242 HydrophobicContact CE1-CG1 4.09Å; V238-V242 HydrophobicContact CB-CB 4.07Å; V238-V242 HydrophobicContact CG2-CB 3.76Å; V238-V242 HydrophobicContact CG2-CG1 4.11Å; V238-V242 HydrophobicContact CG2-CG2 4.17Å; V238-V242 WeakPolarHBondContact O-CB 3.47Å; V238-V242 VanDerWaalsContact O-CG1 3.26Å; V238-V242 WeakPolarHBondContact O-CG1 3.15Å; V238-V242 PolarHBondContact O-N 3.49Å
243	V	98.6	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.5	167.3	-64.4	0	0	0	0	110.9	L30 P31 W33 Y34 E208 V209 I210 F259	L30-V243 HydrophobicContact CD1-CG1 3.73Å; P31-V243 HydrophobicContact CB-CG1 4.41Å; P31-V243 HydrophobicContact CG-CG1 3.79Å; W33-V243 HydrophobicContact CH2-CG2 4.45Å; W33-V243 HydrophobicContact CZ2-CG2 4.13Å; Y34-V243 HydrophobicContact CD1-CG1 4.48Å; Y34-V243 HydrophobicContact CD1-CG2 4.48Å; Y34-V243 HydrophobicContact CD2-CG2 3.59Å; Y34-V243 HydrophobicContact CE2-CG2 3.87Å; Y34-V243 HydrophobicContact CG-CB 4.48Å; Y34-V243 HydrophobicContact CG-CG1 4.1Å; Y34-V243 HydrophobicContact CG-CG2 3.92Å; E208-V243 WeakPolarHBondContact O-CG2 3.46Å; E208-V243 PolarHBondContact O-N 2.85Å; V209-V243 WeakPolarHBondContact CA-O 3.33Å; V209-V243 HydrophobicContact CB-CG2 4.24Å; V209-V243 HydrophobicContact CG1-CG2 4.19Å; V209-V243 HydrophobicContact CG2-CG2 3.78Å; I210-V243 PolarHBondContact N-O 3.25Å; V243-F259 HydrophobicContact CB-CD1 4.22Å; V243-F259 HydrophobicContact CB-CE1 4.08Å; V243-F259 HydrophobicContact CG2-CD1 4.31Å; V243-F259 HydrophobicContact CG2-CE1 3.82Å
244	T	98.7	Very high	97.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.1	174.7	71.2	0	0	0	0	110.6	I210 L229 L232 Y233 W248 G258 F259	I210-T244 HydrophobicContact CB-CG2 4.19Å; I210-T244 WeakPolarHBondContact O-CA 3.4Å; L229-T244 HydrophobicContact CD2-CG2 3.7Å; L232-T244 HydrophobicContact CD2-CG2 3.63Å; Y233-T244 HydrophobicContact CE1-CG2 4.39Å; Y233-T244 PolarHBondContact OH-OG1 2.94Å; T244-W248 HydrophobicContact CG2-CZ2 3.81Å; T244-G258 WeakPolarHBondContact O-CA 3.47Å; T244-G258 PolarHBondContact O-N 2.93Å; T244-F259 VanDerWaalsContact O-CD1 3.3Å; T244-F259 WeakPolarHBondContact O-CD1 3.36Å; T244-F259 WeakPolarHBondContact O-CE1 2.87Å; T244-F259 PolarHBondContact O-N 2.84Å
245	N	98.7	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.			trans	-75.1	-167.2	171.5	69.1	-24.7	0	0	0	111.5	W211 S212 W248 F259 N261	W211-N245 HydrophobicContact CD2-CB 4.48Å; W211-N245 VanDerWaalsContact CD2-ND2 3.27Å; S212-N245 PolarHBondContact N-OD1 3.03Å; S212-N245 PolarHBondContact O-ND2 2.88Å; S212-N245 PolarHBondContact OG-OD1 3.41Å; N245-W248 PolarHBondContact O-NE1 3.31Å; N245-F259 CarbonylContact C-O 3.23Å; N245-F259 WeakPolarHBondContact CA-O 3.41Å; N245-F259 HydrophobicContact CB-CD2 4.17Å; N245-F259 HydrophobicContact CB-CE1 4.32Å; N245-F259 HydrophobicContact CB-CE2 3.51Å; N245-F259 HydrophobicContact CB-CZ 3.59Å; N245-N261 VanDerWaalsContact CB-OD1 3.3Å; N245-N261 WeakPolarHBondContact CB-OD1 3.47Å
246	D	98.2	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-103	13.7	-172.9	63.2	-21.6	0	0	0	115.4	T252 A253 C254 H256 F259 Y260 N261 C262	D246-T252 CarbonylContact O-C 3.53Å; D246-T252 VanDerWaalsContact O-C 3.23Å; D246-T252 PolarHBondContact O-OG1 2.66Å; D246-A253 WeakPolarHBondContact O-CA 3.44Å; D246-A253 PolarHBondContact O-N 2.86Å; D246-C254 PolarHBondContact OD2-N 3.46Å; D246-H256 WeakPolarHBondContact CA-O 3.27Å; D246-H256 WeakPolarHBondContact CB-O 3.32Å; D246-F259 PolarHBondContact N-O 3.21Å; D246-Y260 HydrophobicContact CB-CD1 3.95Å; D246-Y260 WeakPolarHBondContact OD2-CA 3.43Å; D246-N261 VanDerWaalsContact CG-N 3.28Å; D246-N261 PolarHBondContact OD1-N 3.39Å; D246-N261 PolarHBondContact OD2-N 3.5Å; D246-C262 PolarHBondContact OD1-N 3.16Å; D246-C262 WeakPolarHBondContact OD2-CA 3.45Å; D246-C262 PolarHBondContact OD2-N 3.08Å
247	R	98.4	Very high	97.8	Very high	16 Å²	16	37.5 Å²	37.5	6%	0.06	22%	0.216	C	C	.	.			trans	-105.3	63.7	-173.8	-64	-169.1	-176	-162.6	1.1	112.6	S212 D213 D215 D264	S212-R247 WeakPolarHBondContact CB-O 3.42Å; S212-R247 VanDerWaalsContact O-CB 3.27Å; S212-R247 WeakPolarHBondContact O-CB 3.25Å; S212-R247 VanDerWaalsContact OG-C 3.31Å; S212-R247 PolarHBondContact OG-O 2.79Å; D213-R247 VanDerWaalsContact OD1-CD 3.32Å; D213-R247 WeakPolarHBondContact OD1-CD 3.35Å; D213-R247 IonicContact OD1-CZ 2.71Å; D213-R247 IonicContact OD1-NE 2.79Å; D213-R247 IonicContact OD1-NH1 3.03Å; D213-R247 PolarHBondContact OD1-NH1 3.14Å; D213-R247 IonicContact OD2-NH1 2.7Å; D215-R247 WeakPolarHBondContact CB-O 3.24Å; D215-R247 VanDerWaalsContact OD2-C 3.25Å; D215-R247 WeakPolarHBondContact OD2-CA 2.8Å; R247-D264 IonicContact CZ-OD1 2.8Å; R247-D264 IonicContact NH1-OD1 3.44Å; R247-D264 PolarHBondContact NH1-OD1 3.19Å; R247-D264 IonicContact NH2-OD1 2.73Å; R247-D264 PolarHBondContact NH2-OD1 3.13Å
248	W	98.4	Very high	97.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	20%	0.201	C	C	.	.	S	Bend	trans	-115.5	4.7	-173.2	-69.9	97.5	0	0	0	113.6	W22 L168 I210 S212 D215 D220 S225 F228 L229 T244 N245 T252	W22-W248 HydrophobicContact CH2-CB 3.81Å; W22-W248 HydrophobicContact CH2-CG 4.4Å; W22-W248 HydrophobicContact CZ2-CB 4.38Å; L168-W248 HydrophobicContact CD2-CZ3 4.4Å; I210-W248 HydrophobicContact CG2-CH2 3.62Å; I210-W248 HydrophobicContact CG2-CZ2 3.85Å; S212-W248 WeakPolarHBondContact OG-CZ2 3.41Å; S212-W248 PolarHBondContact OG-NE1 2.75Å; D215-W248 PolarHBondContact OD2-N 3.28Å; D220-W248 WeakPolarHBondContact CA-O 3.06Å; S225-W248 WeakPolarHBondContact CB-O 3.26Å; S225-W248 PolarHBondContact OG-O 2.85Å; F228-W248 AromaticContact CD1-CH2 3.96Å; F228-W248 HydrophobicContact CD1-CH2 3.96Å; F228-W248 AromaticContact CD1-CZ3 3.75Å; F228-W248 HydrophobicContact CD1-CZ3 3.75Å; F228-W248 AromaticContact CE1-CH2 3.67Å; F228-W248 HydrophobicContact CE1-CH2 3.67Å; F228-W248 AromaticContact CE1-CZ3 3.92Å; F228-W248 HydrophobicContact CE1-CZ3 3.92Å; L229-W248 HydrophobicContact CD1-CD2 4.19Å; L229-W248 HydrophobicContact CD1-CG 4.15Å; L229-W248 HydrophobicContact CD2-CD2 4.27Å; L229-W248 HydrophobicContact CD2-CH2 4.21Å; L229-W248 HydrophobicContact CD2-CZ2 3.91Å; L229-W248 HydrophobicContact CG-CD2 4.45Å; T244-W248 HydrophobicContact CG2-CZ2 3.81Å; N245-W248 PolarHBondContact O-NE1 3.31Å; W248-T252 PolarHBondContact N-OG1 3.1Å
249	G	98.1	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	164.9	165.9	171	0	0	0	0	0	111.8	D215 G251 T252	D215-G249 PolarHBondContact OD2-N 3.03Å; D215-G249 VanDerWaalsContact OD2-N 3.13Å; D215-G249 VanDerWaalsContact OD2-O 3.04Å; G249-G251 PolarHBondContact O-N 2.92Å; G249-T252 PolarHBondContact N-OG1 3.49Å; G249-T252 VanDerWaalsContact N-OG1 3.11Å; G249-T252 WeakPolarHBondContact O-CB 3.36Å; G249-T252 WeakPolarHBondContact O-CG2 3.37Å; G249-T252 PolarHBondContact O-N 2.74Å; G249-T252 PolarHBondContact O-OG1 3.02Å
250	Q	97.3	Very high	97.7	Very high	125 Å²	125	32.7 Å²	32.7	58%	0.584	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	119	173.6	-171.6	-178	38.7	0	0	111	D215 A218	D215-Q250 PolarHBondContact O-N 3.13Å; A218-Q250 WeakPolarHBondContact O-CB 3.5Å; A218-Q250 PolarHBondContact O-N 3.33Å
251	G	95.8	Very high	97.6	Very high	58 Å²	58	26.5 Å²	26.5	60%	0.598	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	11	179.6	0	0	0	0	0	115.7	G249	G249-G251 PolarHBondContact O-N 2.92Å
252	T	97.6	Very high	97.5	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	15%	0.15	C	C	.	.			trans	-87.9	-25.6	173.5	67	0	0	0	0	113.7	W22 D220 D246 W248 G249 K255 H256	W22-T252 HydrophobicContact CH2-CG2 4.39Å; W22-T252 HydrophobicContact CZ2-CG2 3.79Å; D220-T252 HydrophobicContact CB-CG2 4.18Å; D246-T252 CarbonylContact O-C 3.53Å; D246-T252 VanDerWaalsContact O-C 3.23Å; D246-T252 PolarHBondContact O-OG1 2.66Å; W248-T252 PolarHBondContact N-OG1 3.1Å; G249-T252 PolarHBondContact N-OG1 3.49Å; G249-T252 VanDerWaalsContact N-OG1 3.11Å; G249-T252 WeakPolarHBondContact O-CB 3.36Å; G249-T252 WeakPolarHBondContact O-CG2 3.37Å; G249-T252 PolarHBondContact O-N 2.74Å; G249-T252 PolarHBondContact O-OG1 3.02Å; T252-K255 WeakPolarHBondContact O-CA 3.47Å; T252-K255 WeakPolarHBondContact O-CB 3.47Å; T252-K255 PolarHBondContact O-N 3.1Å; T252-H256 PolarHBondContact O-N 3.25Å
253	A	97	Very high	97.3	Very high	39 Å²	39	31.2 Å²	31.2	32%	0.322	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	140.2	-179.5	0	0	0	0	0	112.3	D246 K255	D246-A253 WeakPolarHBondContact O-CA 3.44Å; D246-A253 PolarHBondContact O-N 2.86Å; A253-K255 PolarHBondContact O-N 2.83Å; A253-K255 VanDerWaalsContact O-N 3.13Å
254	C	96.3	Very high	97	Very high	63 Å²	63	35.2 Å²	35.2	43%	0.426	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	14.2	-169.8	-51.2	0	0	0	0	115.9	D246 Y260 C262	D246-C254 PolarHBondContact OD2-N 3.46Å; C254-Y260 WeakPolarHBondContact O-CE2 3.48Å; C254-C262 VanDerWaalsContact CA-SG 3.54Å; C254-C262 HydrophobicContact CB-CB 4.29Å; C254-C262 WeakPolarHBondContact CB-SG 3.33Å; C254-C262 WeakPolarHBondContact SG-CA 3.45Å; C254-C262 WeakPolarHBondContact SG-CB 3.38Å; C254-C262 CovalentContact SG-SG 2.01Å; C254-C262 PolarHBondContact SG-SG 3.21Å
255	K	97.3	Very high	96.8	Very high	121 Å²	121	38.9 Å²	38.9	53%	0.526	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-38.2	-170.6	-168.4	-174.5	172.1	-162.3	0	113.6	T252 A253 Y260	T252-K255 WeakPolarHBondContact O-CA 3.47Å; T252-K255 WeakPolarHBondContact O-CB 3.47Å; T252-K255 PolarHBondContact O-N 3.1Å; A253-K255 PolarHBondContact O-N 2.83Å; A253-K255 VanDerWaalsContact O-N 3.13Å; K255-Y260 PolarHBondContact O-OH 2.86Å; K255-Y260 VanDerWaalsContact O-OH 3.11Å
256	H	97.9	Very high	96.7	Very high	16 Å²	16	41.5 Å²	41.5	7%	0.074	23%	0.225	C	C	.	.	S	Bend	trans	-132.9	163	-174.4	-61.5	-50.5	0	0	0	110.9	W22 D26 D246 T252	W22-H256 WeakPolarHBondContact CB-CE1 3.47Å; W22-H256 WeakPolarHBondContact CB-ND1 3.37Å; W22-H256 AromaticContact CD1-CD2 3.91Å; W22-H256 AromaticContact CD1-CE1 3.91Å; W22-H256 AromaticContact CD1-NE2 3.65Å; W22-H256 HydrophobicContact CD2-CB 3.87Å; W22-H256 AromaticContact CD2-CD2 3.67Å; W22-H256 AromaticContact CD2-CG 3.47Å; W22-H256 VanDerWaalsContact CD2-CG 3.47Å; W22-H256 AromaticContact CD2-ND1 3.73Å; W22-H256 AromaticContact CE2-CD2 3.79Å; W22-H256 AromaticContact CE2-CG 3.99Å; W22-H256 HydrophobicContact CE3-CB 3.47Å; W22-H256 VanDerWaalsContact CE3-CB 3.47Å; W22-H256 AromaticContact CE3-CG 3.59Å; W22-H256 AromaticContact CE3-ND1 3.92Å; W22-H256 AromaticContact CG-CD2 3.75Å; W22-H256 AromaticContact CG-CE1 3.47Å; W22-H256 VanDerWaalsContact CG-CE1 3.47Å; W22-H256 AromaticContact CG-CG 3.74Å; W22-H256 AromaticContact CG-ND1 3.56Å; W22-H256 AromaticContact CG-NE2 3.63Å; W22-H256 HydrophobicContact CH2-CB 4.14Å; W22-H256 HydrophobicContact CZ2-CB 4.48Å; W22-H256 HydrophobicContact CZ3-CB 3.62Å; W22-H256 AromaticContact NE1-CD2 3.94Å; D26-H256 IonicContact OD1-ND1 2.72Å; D26-H256 IonicContact OD2-CE1 3.85Å; D26-H256 IonicContact OD2-CG 3.32Å; D26-H256 IonicContact OD2-ND1 2.89Å; D26-H256 PolarHBondContact OD2-ND1 3.45Å; D246-H256 WeakPolarHBondContact CA-O 3.27Å; D246-H256 WeakPolarHBondContact CB-O 3.32Å; T252-H256 PolarHBondContact O-N 3.25Å
257	G	96.9	Very high	96.5	Very high	6 Å²	6	44.6 Å²	44.6	6%	0.062	25%	0.245	C	C	.	.	S	Bend	trans	104	166.2	176.4	0	0	0	0	0	114	D26 F259 H274	D26-G257 PolarHBondContact OD1-N 3.06Å; G257-F259 VanDerWaalsContact C-N 3.31Å; G257-F259 PolarHBondContact O-N 2.95Å; G257-H274 PolarHBondContact O-CE1 2.87Å; G257-H274 VanDerWaalsContact O-CE1 3.25Å
258	G	97.3	Very high	96.4	Very high	16 Å²	16	44.2 Å²	44.2	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	-70.7	-26.7	-176.4	0	0	0	0	0	113.5	L30 T244 H274	L30-G258 WeakPolarHBondContact CD1-O 3.34Å; T244-G258 WeakPolarHBondContact O-CA 3.47Å; T244-G258 PolarHBondContact O-N 2.93Å; G258-H274 PolarHBondContact O-CE1 3.04Å; G258-H274 VanDerWaalsContact O-CE1 3.29Å
259	F	98.6	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-149.7	156.2	170.6	59.9	-86.9	0	0	0	110.5	Y34 V209 V243 T244 N245 D246 G257 N261 K275 E277	Y34-F259 HydrophobicContact CD1-CD1 4.35Å; Y34-F259 HydrophobicContact CE1-CB 3.91Å; Y34-F259 AromaticContact CE1-CD1 3.52Å; Y34-F259 HydrophobicContact CE1-CD1 3.52Å; Y34-F259 HydrophobicContact CE1-CD2 4.38Å; Y34-F259 HydrophobicContact CE1-CE1 4.1Å; Y34-F259 AromaticContact CE1-CG 3.68Å; Y34-F259 HydrophobicContact CE1-CG 3.68Å; Y34-F259 HydrophobicContact CE2-CD1 4.47Å; Y34-F259 HydrophobicContact CE2-CE1 4.24Å; Y34-F259 AromaticContact CZ-CD1 3.59Å; Y34-F259 AromaticContact CZ-CE1 3.68Å; Y34-F259 AromaticContact CZ-CG 3.86Å; Y34-F259 WeakPolarHBondContact OH-CD2 3.48Å; Y34-F259 VanDerWaalsContact OH-CE2 3.28Å; Y34-F259 WeakPolarHBondContact OH-CE2 3.4Å; Y34-F259 WeakPolarHBondContact OH-CG 3.31Å; Y34-F259 WeakPolarHBondContact OH-CZ 3.31Å; V209-F259 HydrophobicContact CG1-CE1 4.42Å; V209-F259 HydrophobicContact CG1-CZ 4.25Å; V243-F259 HydrophobicContact CB-CD1 4.22Å; V243-F259 HydrophobicContact CB-CE1 4.08Å; V243-F259 HydrophobicContact CG2-CD1 4.31Å; V243-F259 HydrophobicContact CG2-CE1 3.82Å; T244-F259 VanDerWaalsContact O-CD1 3.3Å; T244-F259 WeakPolarHBondContact O-CD1 3.36Å; T244-F259 WeakPolarHBondContact O-CE1 2.87Å; T244-F259 PolarHBondContact O-N 2.84Å; N245-F259 CarbonylContact C-O 3.23Å; N245-F259 WeakPolarHBondContact CA-O 3.41Å; N245-F259 HydrophobicContact CB-CD2 4.17Å; N245-F259 HydrophobicContact CB-CE1 4.32Å; N245-F259 HydrophobicContact CB-CE2 3.51Å; N245-F259 HydrophobicContact CB-CZ 3.59Å; D246-F259 PolarHBondContact N-O 3.21Å; G257-F259 VanDerWaalsContact C-N 3.31Å; G257-F259 PolarHBondContact O-N 2.95Å; F259-N261 VanDerWaalsContact CD2-OD1 3.29Å; F259-N261 WeakPolarHBondContact CD2-OD1 3.16Å; F259-N261 WeakPolarHBondContact CE2-OD1 3.27Å; F259-K275 CarbonylContact C-O 3.39Å; F259-K275 VanDerWaalsContact CA-O 3.31Å; F259-K275 WeakPolarHBondContact CA-O 3.43Å; F259-K275 HydrophobicContact CB-CB 4.29Å; F259-K275 HydrophobicContact CB-CG 3.99Å; F259-E277 HydrophobicContact CD2-CB 3.63Å; F259-E277 HydrophobicContact CE2-CB 3.86Å; F259-E277 HydrophobicContact CE2-CG 4.46Å; F259-E277 WeakPolarHBondContact CE2-OE1 3.29Å
260	Y	98.3	Very high	95.8	Very high	44 Å²	44	55.9 Å²	55.9	17%	0.173	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-98.9	133	-178.8	-61.3	-12.1	0	0	0	111.9	D246 C254 K255 H274 K275 W276 E277	D246-Y260 HydrophobicContact CB-CD1 3.95Å; D246-Y260 WeakPolarHBondContact OD2-CA 3.43Å; C254-Y260 WeakPolarHBondContact O-CE2 3.48Å; K255-Y260 PolarHBondContact O-OH 2.86Å; K255-Y260 VanDerWaalsContact O-OH 3.11Å; Y260-H274 AromaticContact CD1-CE1 3.97Å; Y260-H274 AromaticContact CD1-ND1 3.63Å; Y260-H274 HydrophobicContact CD2-CB 3.93Å; Y260-H274 AromaticContact CE1-CE1 3.65Å; Y260-H274 AromaticContact CE1-CG 3.9Å; Y260-H274 AromaticContact CE1-ND1 3.53Å; Y260-H274 HydrophobicContact CE2-CB 3.58Å; Y260-H274 AromaticContact CE2-CG 3.74Å; Y260-H274 AromaticContact CE2-ND1 3.99Å; Y260-H274 AromaticContact CG-ND1 3.88Å; Y260-H274 AromaticContact CZ-CD2 3.94Å; Y260-H274 AromaticContact CZ-CG 3.59Å; Y260-H274 AromaticContact CZ-ND1 3.72Å; Y260-K275 PolarHBondContact N-O 3Å; Y260-W276 CarbonylContact O-C 3.58Å; Y260-W276 WeakPolarHBondContact O-CA 3.23Å; Y260-W276 WeakPolarHBondContact O-CB 3.37Å; Y260-E277 PolarHBondContact O-N 2.98Å
261	N	94.8	Very high	95.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	31%	0.312	C	S	.	.			trans	-110.7	-20.5	162.3	-60.3	83.4	0	0	0	110.9	W211 N245 D246 F259 Q263 Y266 E277	W211-N261 HydrophobicContact CZ2-CB 4.32Å; N245-N261 VanDerWaalsContact CB-OD1 3.3Å; N245-N261 WeakPolarHBondContact CB-OD1 3.47Å; D246-N261 VanDerWaalsContact CG-N 3.28Å; D246-N261 PolarHBondContact OD1-N 3.39Å; D246-N261 PolarHBondContact OD2-N 3.5Å; F259-N261 VanDerWaalsContact CD2-OD1 3.29Å; F259-N261 WeakPolarHBondContact CD2-OD1 3.16Å; F259-N261 WeakPolarHBondContact CE2-OD1 3.27Å; N261-Q263 PolarHBondContact O-N 3.44Å; N261-Y266 WeakPolarHBondContact O-CB 3.45Å; N261-E277 WeakPolarHBondContact ND2-CB 3.45Å; N261-E277 PolarHBondContact ND2-O 3.29Å; N261-E277 PolarHBondContact ND2-OE1 2.9Å; N261-E277 VanDerWaalsContact ND2-OE1 3.08Å
262	C	95.4	Very high	95.8	Very high	18 Å²	18	52.3 Å²	52.3	12%	0.122	30%	0.296	C	S	.	.			trans	63.7	-55.5	175.5	-75.3	0	0	0	0	116.4	D246 C254 Y266	D246-C262 PolarHBondContact OD1-N 3.16Å; D246-C262 WeakPolarHBondContact OD2-CA 3.45Å; D246-C262 PolarHBondContact OD2-N 3.08Å; C254-C262 VanDerWaalsContact CA-SG 3.54Å; C254-C262 HydrophobicContact CB-CB 4.29Å; C254-C262 WeakPolarHBondContact CB-SG 3.33Å; C254-C262 WeakPolarHBondContact SG-CA 3.45Å; C254-C262 WeakPolarHBondContact SG-CB 3.38Å; C254-C262 CovalentContact SG-SG 2.01Å; C254-C262 PolarHBondContact SG-SG 3.21Å; C262-Y266 HydrophobicContact CB-CD1 3.92Å; C262-Y266 HydrophobicContact CB-CD2 3.56Å; C262-Y266 HydrophobicContact CB-CE1 4.13Å; C262-Y266 HydrophobicContact CB-CE2 3.77Å; C262-Y266 HydrophobicContact CB-CG 3.64Å
263	Q	94	Very high	95.6	Very high	128 Å²	128	63 Å²	63	60%	0.598	34%	0.342	S	S	*	.	S	Bend	trans	-158.8	173.4	178.5	62.4	-179.4	7.1	0	0	109.1	N261 K265 Y266	N261-Q263 PolarHBondContact O-N 3.44Å; Q263-K265 PolarHBondContact O-N 2.77Å; Q263-Y266 HydrophobicContact CG-CD2 4.1Å; Q263-Y266 WeakPolarHBondContact O-CB 3.5Å; Q263-Y266 PolarHBondContact O-N 2.86Å
264	D	92.3	Very high	95.7	Very high	83 Å²	83	64 Å²	64	44%	0.444	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	135.1	176.2	-75.1	7.8	0	0	0	111.4	R247 Y266 W287	R247-D264 IonicContact CZ-OD1 2.8Å; R247-D264 IonicContact NH1-OD1 3.44Å; R247-D264 PolarHBondContact NH1-OD1 3.19Å; R247-D264 IonicContact NH2-OD1 2.73Å; R247-D264 PolarHBondContact NH2-OD1 3.13Å; D264-Y266 PolarHBondContact O-N 2.72Å; D264-Y266 VanDerWaalsContact O-N 3.1Å; D264-W287 HydrophobicContact CB-CZ2 4.33Å
265	K	93.9	Very high	95.8	Very high	77 Å²	77	62.1 Å²	62.1	34%	0.335	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	27	178.3	-52.1	-179.4	-176.5	-179.5	0	113.8	Q263 T267 C279 T284 W287	Q263-K265 PolarHBondContact O-N 2.77Å; K265-T267 PolarHBondContact O-N 3.46Å; K265-C279 VanDerWaalsContact CA-O 3.23Å; K265-C279 WeakPolarHBondContact CA-O 3.21Å; K265-C279 PolarHBondContact N-O 3.47Å; K265-T284 PolarHBondContact NZ-O 3.06Å; K265-W287 HydrophobicContact CG-CH2 4.35Å; K265-W287 HydrophobicContact CG-CZ2 4.34Å
266	Y	96.3	Very high	95.8	Very high	55 Å²	55	56.5 Å²	56.5	22%	0.216	30%	0.3	C	S	.	.			trans	-53.5	139.6	179.1	177.4	-109.5	0	0	0	112.2	N261 C262 Q263 D264 P268 W276	N261-Y266 WeakPolarHBondContact O-CB 3.45Å; C262-Y266 HydrophobicContact CB-CD1 3.92Å; C262-Y266 HydrophobicContact CB-CD2 3.56Å; C262-Y266 HydrophobicContact CB-CE1 4.13Å; C262-Y266 HydrophobicContact CB-CE2 3.77Å; C262-Y266 HydrophobicContact CB-CG 3.64Å; Q263-Y266 HydrophobicContact CG-CD2 4.1Å; Q263-Y266 WeakPolarHBondContact O-CB 3.5Å; Q263-Y266 PolarHBondContact O-N 2.86Å; D264-Y266 PolarHBondContact O-N 2.72Å; D264-Y266 VanDerWaalsContact O-N 3.1Å; Y266-P268 HydrophobicContact CE1-CB 3.97Å; Y266-P268 HydrophobicContact CE1-CG 4.3Å; Y266-W276 AromaticContact CD1-CE3 3.86Å; Y266-W276 HydrophobicContact CD1-CE3 3.86Å; Y266-W276 HydrophobicContact CD1-CZ3 4.23Å; Y266-W276 HydrophobicContact CE1-CE3 4.18Å; Y266-W276 WeakPolarHBondContact O-CZ3 3.46Å
267	T	95.7	Very high	95.9	Very high	66 Å²	66	55.8 Å²	55.8	41%	0.405	30%	0.296	S	S	.	.			trans	-139.8	118.1	171.9	-56.4	0	0	0	0	106.7	K265 K278	K265-T267 PolarHBondContact O-N 3.46Å; T267-K278 WeakPolarHBondContact OG1-CE 3.46Å; T267-K278 PolarHBondContact OG1-NZ 3.05Å
268	P	94.7	Very high	95.9	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.045	30%	0.297	C	S	.	.			trans	-71	139.3	177.8	32	-34.2	0	0	0	109	Y266 Q270 P272 W276 L314	Y266-P268 HydrophobicContact CE1-CB 3.97Å; Y266-P268 HydrophobicContact CE1-CG 4.3Å; P268-Q270 WeakPolarHBondContact CB-O 3.25Å; P268-Q270 PolarHBondContact O-N 2.64Å; P268-P272 HydrophobicContact CB-CG 4.46Å; P268-P272 HydrophobicContact CG-CG 4.26Å; P268-W276 HydrophobicContact CG-CD2 3.94Å; P268-W276 HydrophobicContact CG-CE3 4.26Å; P268-W276 HydrophobicContact CG-CH2 3.91Å; P268-W276 HydrophobicContact CG-CZ2 3.52Å; P268-W276 HydrophobicContact CG-CZ3 4.24Å; P268-L314 HydrophobicContact CG-CB 4.47Å; P268-L314 HydrophobicContact CG-CD1 4.43Å
269	G	91.4	Very high	95.9	Very high	89 Å²	89	56 Å²	56	92%	0.918	29%	0.292	S	S	*	.	S	Bend	trans	-72.5	-12.9	177	0	0	0	0	0	114.3
270	Q	93.3	Very high	95.9	Very high	158 Å²	158	56.4 Å²	56.4	74%	0.738	30%	0.295	S	S	*	.	S	Bend	trans	-150.6	163.7	179.8	65.4	-176.8	8.9	0	0	109.9	P268 P272	P268-Q270 WeakPolarHBondContact CB-O 3.25Å; P268-Q270 PolarHBondContact O-N 2.64Å; Q270-P272 WeakPolarHBondContact O-CD 3.25Å; Q270-P272 VanDerWaalsContact O-N 3.11Å
271	L	96.6	Very high	95.9	Very high	70 Å²	70	54.4 Å²	54.4	37%	0.366	29%	0.287	S	S	.	.			trans	-56.4	113.6	178.9	177.5	62.4	0	0	0	111.4	L314 P357	L271-L314 WeakPolarHBondContact CD1-O 3.3Å; L271-P357 HydrophobicContact CD1-CB 3.68Å; L271-P357 HydrophobicContact CD1-CG 3.57Å; L271-P357 HydrophobicContact CD2-CB 3.92Å; L271-P357 HydrophobicContact CG-CB 4.49Å
272	P	95.8	Very high	96.1	Very high	39 Å²	39	54.4 Å²	54.4	25%	0.253	29%	0.287	S	S	.	.			trans	-75	160.5	177.1	30.2	-34.3	0	0	0	112	P268 Q270 W276 L314	P268-P272 HydrophobicContact CB-CG 4.46Å; P268-P272 HydrophobicContact CG-CG 4.26Å; Q270-P272 WeakPolarHBondContact O-CD 3.25Å; Q270-P272 VanDerWaalsContact O-N 3.11Å; P272-W276 HydrophobicContact CG-CG 4Å; P272-L314 WeakPolarHBondContact CD-O 3.02Å
273	K	95.1	Very high	96.2	Very high	228 Å²	228	53.7 Å²	53.7	99%	0.991	28%	0.282	S	S	*	.	S	Bend	trans	-84.4	-13.2	176.5	-65.9	-176.9	179.2	179.5	0	113.9
274	H	97.1	Very high	96.4	Very high	60 Å²	60	50.2 Å²	50.2	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-117	151	-178	-164.5	-85.9	0	0	0	109.4	G257 G258 Y260 W276	G257-H274 PolarHBondContact O-CE1 2.87Å; G257-H274 VanDerWaalsContact O-CE1 3.25Å; G258-H274 PolarHBondContact O-CE1 3.04Å; G258-H274 VanDerWaalsContact O-CE1 3.29Å; Y260-H274 AromaticContact CD1-CE1 3.97Å; Y260-H274 AromaticContact CD1-ND1 3.63Å; Y260-H274 HydrophobicContact CD2-CB 3.93Å; Y260-H274 AromaticContact CE1-CE1 3.65Å; Y260-H274 AromaticContact CE1-CG 3.9Å; Y260-H274 AromaticContact CE1-ND1 3.53Å; Y260-H274 HydrophobicContact CE2-CB 3.58Å; Y260-H274 AromaticContact CE2-CG 3.74Å; Y260-H274 AromaticContact CE2-ND1 3.99Å; Y260-H274 AromaticContact CG-ND1 3.88Å; Y260-H274 AromaticContact CZ-CD2 3.94Å; Y260-H274 AromaticContact CZ-CG 3.59Å; Y260-H274 AromaticContact CZ-ND1 3.72Å; H274-W276 PolarHBondContact O-N 2.99Å
275	K	98.4	Very high	96.6	Very high	23 Å²	23	51.3 Å²	51.3	10%	0.1	28%	0.275	C	S	.	.			trans	-59.1	141.4	172.9	-175.7	67	-179.1	-179.9	0	109.3	L30 Y34 D35 F259 Y260 G315 N317	L30-K275 HydrophobicContact CD2-CB 3.84Å; L30-K275 HydrophobicContact CD2-CD 4.17Å; L30-K275 HydrophobicContact CD2-CG 3.65Å; Y34-K275 HydrophobicContact CD1-CG 4.37Å; Y34-K275 HydrophobicContact CE1-CG 4.21Å; D35-K275 WeakPolarHBondContact OD1-CD 3.45Å; D35-K275 WeakPolarHBondContact OD1-CE 3.46Å; D35-K275 IonicContact OD1-NZ 3.66Å; D35-K275 PolarHBondContact OD1-NZ 2.88Å; F259-K275 CarbonylContact C-O 3.39Å; F259-K275 VanDerWaalsContact CA-O 3.31Å; F259-K275 WeakPolarHBondContact CA-O 3.43Å; F259-K275 HydrophobicContact CB-CB 4.29Å; F259-K275 HydrophobicContact CB-CG 3.99Å; Y260-K275 PolarHBondContact N-O 3Å; K275-G315 PolarHBondContact NZ-O 3Å; K275-N317 WeakPolarHBondContact CE-OD1 3.43Å; K275-N317 PolarHBondContact NZ-OD1 3.21Å
276	W	98.8	Very high	96.8	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-139.8	165.8	178.2	74	-75.4	0	0	0	110.6	Y260 Y266 P268 P272 H274 K278 T311 L314 G316 N317	Y260-W276 CarbonylContact O-C 3.58Å; Y260-W276 WeakPolarHBondContact O-CA 3.23Å; Y260-W276 WeakPolarHBondContact O-CB 3.37Å; Y266-W276 AromaticContact CD1-CE3 3.86Å; Y266-W276 HydrophobicContact CD1-CE3 3.86Å; Y266-W276 HydrophobicContact CD1-CZ3 4.23Å; Y266-W276 HydrophobicContact CE1-CE3 4.18Å; Y266-W276 WeakPolarHBondContact O-CZ3 3.46Å; P268-W276 HydrophobicContact CG-CD2 3.94Å; P268-W276 HydrophobicContact CG-CE3 4.26Å; P268-W276 HydrophobicContact CG-CH2 3.91Å; P268-W276 HydrophobicContact CG-CZ2 3.52Å; P268-W276 HydrophobicContact CG-CZ3 4.24Å; P272-W276 HydrophobicContact CG-CG 4Å; H274-W276 PolarHBondContact O-N 2.99Å; W276-K278 HydrophobicContact CH2-CB 4.04Å; W276-K278 HydrophobicContact CZ3-CB 3.63Å; W276-T311 HydrophobicContact CH2-CG2 3.8Å; W276-T311 HydrophobicContact CZ2-CG2 4Å; W276-T311 HydrophobicContact CZ3-CG2 4.45Å; W276-L314 HydrophobicContact CZ2-CB 3.83Å; W276-L314 PolarHBondContact NE1-O 2.64Å; W276-G316 VanDerWaalsContact NE1-N 3.17Å; W276-G316 CarbonylContact O-C 3.56Å; W276-G316 WeakPolarHBondContact O-CA 3.16Å; W276-N317 PolarHBondContact O-N 3.13Å
277	E	98.8	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.7	177.1	-179.9	-171.4	75	0	0	109.7	Y34 Y114 W211 F259 Y260 N261 C279 N317 L319	Y34-E277 WeakPolarHBondContact OH-CB 3.4Å; Y34-E277 PolarHBondContact OH-OE2 3.44Å; Y114-E277 WeakPolarHBondContact CE2-OE2 3.43Å; Y114-E277 PolarHBondContact OH-OE2 2.83Å; W211-E277 PolarHBondContact NE1-OE1 3.24Å; F259-E277 HydrophobicContact CD2-CB 3.63Å; F259-E277 HydrophobicContact CE2-CB 3.86Å; F259-E277 HydrophobicContact CE2-CG 4.46Å; F259-E277 WeakPolarHBondContact CE2-OE1 3.29Å; Y260-E277 PolarHBondContact O-N 2.98Å; N261-E277 WeakPolarHBondContact ND2-CB 3.45Å; N261-E277 PolarHBondContact ND2-O 3.29Å; N261-E277 PolarHBondContact ND2-OE1 2.9Å; N261-E277 VanDerWaalsContact ND2-OE1 3.08Å; E277-C279 PolarHBondContact O-N 3.27Å; E277-N317 CarbonylContact C-O 3.55Å; E277-N317 VanDerWaalsContact CA-O 3.27Å; E277-N317 WeakPolarHBondContact CA-O 3.31Å; E277-N317 HydrophobicContact CB-CB 4.36Å; E277-N317 HydrophobicContact CG-CB 4.1Å; E277-L319 HydrophobicContact CG-CB 3.86Å; E277-L319 VanDerWaalsContact OE1-CD2 3.26Å; E277-L319 WeakPolarHBondContact OE1-CD2 3.49Å
278	K	98.5	Very high	97	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115	166.2	-175.8	162	-174.3	161.6	0	108.4	T267 W276 D307 T311 N317 Y318 L319	T267-K278 WeakPolarHBondContact OG1-CE 3.46Å; T267-K278 PolarHBondContact OG1-NZ 3.05Å; W276-K278 HydrophobicContact CH2-CB 4.04Å; W276-K278 HydrophobicContact CZ3-CB 3.63Å; K278-D307 WeakPolarHBondContact CD-OD1 3.35Å; K278-D307 WeakPolarHBondContact CE-OD1 3.4Å; K278-D307 WeakPolarHBondContact CE-OD2 3.4Å; K278-D307 VanDerWaalsContact NZ-CG 3.33Å; K278-D307 IonicContact NZ-OD1 2.74Å; K278-D307 PolarHBondContact NZ-OD1 2.86Å; K278-D307 IonicContact NZ-OD2 3.74Å; K278-D307 PolarHBondContact NZ-OD2 3.2Å; K278-T311 HydrophobicContact CB-CG2 3.8Å; K278-T311 WeakPolarHBondContact CD-OG1 3.24Å; K278-N317 PolarHBondContact N-O 3.31Å; K278-Y318 HydrophobicContact CB-CD2 4.3Å; K278-Y318 HydrophobicContact CD-CD2 4.43Å; K278-Y318 HydrophobicContact CD-CE2 4.34Å; K278-Y318 HydrophobicContact CG-CD2 4.4Å; K278-L319 PolarHBondContact O-N 2.8Å
279	C	97.1	Very high	97.2	Very high	8 Å²	8	45 Å²	45	5%	0.054	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.3	168.1	-176.4	0	0	0	0	108.8	F42 W211 K265 E277 W287 L319	F42-C279 WeakPolarHBondContact CD1-SG 3.39Å; F42-C279 VanDerWaalsContact CE1-SG 3.59Å; W211-C279 HydrophobicContact CZ2-CB 4.31Å; K265-C279 VanDerWaalsContact CA-O 3.23Å; K265-C279 WeakPolarHBondContact CA-O 3.21Å; K265-C279 PolarHBondContact N-O 3.47Å; E277-C279 PolarHBondContact O-N 3.27Å; C279-W287 HydrophobicContact CB-CH2 4.28Å; C279-W287 WeakPolarHBondContact SG-CH2 3.35Å; C279-W287 WeakPolarHBondContact SG-CZ3 3.31Å; C279-L319 WeakPolarHBondContact CA-O 3.29Å
280	T	97.9	Very high	97.5	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	175.7	178	-165.9	0	0	0	0	110.9	W287 Y318 L319 L320 N321	T280-W287 VanDerWaalsContact C-CZ3 3.48Å; T280-W287 WeakPolarHBondContact O-CZ3 3.24Å; T280-Y318 HydrophobicContact CG2-CE2 3.51Å; T280-Y318 WeakPolarHBondContact CG2-OH 3.32Å; T280-L319 PolarHBondContact N-O 2.97Å; T280-L320 HydrophobicContact CG2-CD1 3.97Å; T280-N321 WeakPolarHBondContact O-CB 2.86Å; T280-N321 PolarHBondContact O-N 2.86Å
281	S	98.2	Very high	97.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.7	-175.4	-176.2	0	0	0	0	111.3	D283 S286 N321	S281-D283 VanDerWaalsContact CB-O 3.24Å; S281-D283 WeakPolarHBondContact CB-O 3.4Å; S281-D283 PolarHBondContact O-N 2.99Å; S281-D283 PolarHBondContact OG-N 3.03Å; S281-D283 PolarHBondContact OG-O 2.93Å; S281-S286 PolarHBondContact OG-O 2.92Å; S281-N321 PolarHBondContact OG-ND2 3.45Å
282	V	98.6	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-58.5	-39.7	172.3	177.4	0	0	0	0	110.1	T284 L298 M299 I304 L320 N321 V322 F334 R337	V282-T284 PolarHBondContact O-N 2.95Å; V282-L298 CarbonylContact O-C 3.07Å; V282-L298 VanDerWaalsContact O-CA 3.23Å; V282-L298 WeakPolarHBondContact O-CA 3.43Å; V282-M299 PolarHBondContact O-N 2.84Å; V282-I304 HydrophobicContact CG2-CD1 4.37Å; V282-L320 HydrophobicContact CG2-CD1 3.79Å; V282-L320 HydrophobicContact CG2-CD2 3.93Å; V282-L320 HydrophobicContact CG2-CG 3.88Å; V282-N321 PolarHBondContact N-O 2.92Å; V282-V322 HydrophobicContact CG2-CG1 4.14Å; V282-F334 HydrophobicContact CB-CD1 4.04Å; V282-F334 HydrophobicContact CB-CE1 4.27Å; V282-F334 HydrophobicContact CG1-CD1 3.55Å; V282-F334 HydrophobicContact CG1-CE1 3.89Å; V282-R337 HydrophobicContact CG1-CB 4.49Å; V282-R337 HydrophobicContact CG1-CG 4.09Å
283	D	98.4	Very high	97.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-80.1	113.2	167.6	-173.2	-18.5	0	0	0	109.3	S281 L285 S286 R290 L298 F334	S281-D283 VanDerWaalsContact CB-O 3.24Å; S281-D283 WeakPolarHBondContact CB-O 3.4Å; S281-D283 PolarHBondContact O-N 2.99Å; S281-D283 PolarHBondContact OG-N 3.03Å; S281-D283 PolarHBondContact OG-O 2.93Å; D283-L285 PolarHBondContact O-N 2.77Å; D283-L285 VanDerWaalsContact O-N 3.12Å; D283-L285 PolarHBondContact OD1-N 3.01Å; D283-S286 PolarHBondContact O-N 2.74Å; D283-R290 VanDerWaalsContact CG-NH2 3.29Å; D283-R290 IonicContact OD1-CZ 2.92Å; D283-R290 IonicContact OD1-NE 3Å; D283-R290 PolarHBondContact OD1-NE 2.75Å; D283-R290 IonicContact OD1-NH2 3.63Å; D283-R290 PolarHBondContact OD1-NH2 3.43Å; D283-R290 IonicContact OD2-CZ 3.33Å; D283-R290 VanDerWaalsContact OD2-CZ 3.24Å; D283-R290 IonicContact OD2-NE 2.86Å; D283-R290 PolarHBondContact OD2-NE 3.43Å; D283-R290 IonicContact OD2-NH2 3.88Å; D283-R290 PolarHBondContact OD2-NH2 2.75Å; D283-L298 HydrophobicContact CB-CD2 3.9Å; D283-F334 HydrophobicContact CB-CZ 4.23Å
284	T	97.4	Very high	97.6	Very high	56 Å²	56	35.7 Å²	35.7	34%	0.344	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.6	-175.3	62.9	0	0	0	0	113	K265 V282 E297 M299	K265-T284 PolarHBondContact NZ-O 3.06Å; V282-T284 PolarHBondContact O-N 2.95Å; T284-E297 WeakPolarHBondContact CB-O 3.16Å; T284-E297 WeakPolarHBondContact CG2-O 3.42Å; T284-E297 PolarHBondContact N-O 2.75Å; T284-E297 PolarHBondContact OG1-O 3.41Å; T284-M299 HydrophobicContact CG2-CG 3.73Å
285	L	97.1	Very high	97.5	Very high	105 Å²	105	39.3 Å²	39.3	55%	0.55	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-15.1	-174.9	-55.9	-174.9	0	0	0	114.2	D283 E297	D283-L285 PolarHBondContact O-N 2.77Å; D283-L285 VanDerWaalsContact O-N 3.12Å; D283-L285 PolarHBondContact OD1-N 3.01Å; L285-E297 HydrophobicContact CD1-CB 4.15Å; L285-E297 HydrophobicContact CD1-CG 3.9Å; L285-E297 HydrophobicContact CG-CB 4.35Å
286	S	97.8	Very high	97.4	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	22%	0.216	C	C	.	.			trans	-152.5	151.4	-171.2	-178.9	0	0	0	0	112.1	S55 E56 S281 D283 G288	S55-S286 VanDerWaalsContact CA-OG 3.3Å; S55-S286 WeakPolarHBondContact CA-OG 3.39Å; S55-S286 WeakPolarHBondContact CB-OG 3.39Å; E56-S286 PolarHBondContact OE2-OG 2.95Å; S281-S286 PolarHBondContact OG-O 2.92Å; D283-S286 PolarHBondContact O-N 2.74Å; S286-G288 WeakPolarHBondContact CB-O 3.21Å; S286-G288 PolarHBondContact OG-N 3.27Å; S286-G288 PolarHBondContact OG-O 2.82Å
287	W	98.6	Very high	97.4	Very high	26 Å²	26	48.9 Å²	48.9	10%	0.098	23%	0.225	C	C	.	.	S	Bend	trans	-87.9	-45.8	167.6	-55	99.4	0	0	0	110	H44 E56 D264 K265 C279 T280 N321	H44-W287 HydrophobicContact CB-CB 3.98Å; E56-W287 HydrophobicContact CG-CB 4.39Å; E56-W287 WeakPolarHBondContact OE2-CA 3.21Å; E56-W287 WeakPolarHBondContact OE2-CB 3.15Å; E56-W287 PolarHBondContact OE2-N 3.28Å; D264-W287 HydrophobicContact CB-CZ2 4.33Å; K265-W287 HydrophobicContact CG-CH2 4.35Å; K265-W287 HydrophobicContact CG-CZ2 4.34Å; C279-W287 HydrophobicContact CB-CH2 4.28Å; C279-W287 WeakPolarHBondContact SG-CH2 3.35Å; C279-W287 WeakPolarHBondContact SG-CZ3 3.31Å; T280-W287 VanDerWaalsContact C-CZ3 3.48Å; T280-W287 WeakPolarHBondContact O-CZ3 3.24Å; W287-N321 WeakPolarHBondContact CA-ND2 3.35Å; W287-N321 HydrophobicContact CE3-CB 3.57Å; W287-N321 HydrophobicContact CZ3-CB 3.84Å; W287-N321 PolarHBondContact O-ND2 2.95Å
288	G	98.2	Very high	97.4	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-74.1	166.1	174.1	0	0	0	0	0	113.4	E56 S286	E56-G288 PolarHBondContact OE2-N 3.49Å; S286-G288 WeakPolarHBondContact CB-O 3.21Å; S286-G288 PolarHBondContact OG-N 3.27Å; S286-G288 PolarHBondContact OG-O 2.82Å
289	Y	98.4	Very high	97.3	Very high	41 Å²	41	49.8 Å²	49.8	16%	0.161	23%	0.23	C	C	.	.			trans	-65.6	134	-179.6	175.4	-117.5	0	0	0	113	G52 R291 M293 G323 P324 T325 P331	G52-Y289 CarbonylContact C-O 3.5Å; G52-Y289 WeakPolarHBondContact CA-O 3.04Å; Y289-R291 HydrophobicContact CD1-CG 4.21Å; Y289-R291 HydrophobicContact CE1-CB 4.31Å; Y289-R291 HydrophobicContact CE1-CG 3.45Å; Y289-R291 VanDerWaalsContact CE1-CG 3.45Å; Y289-M293 HydrophobicContact CE2-CE 4.11Å; Y289-G323 WeakPolarHBondContact CB-O 3.49Å; Y289-P324 VanDerWaalsContact CB-O 3.25Å; Y289-P324 WeakPolarHBondContact CB-O 3.41Å; Y289-T325 HydrophobicContact CD1-CG2 4.23Å; Y289-T325 HydrophobicContact CD2-CG2 4.23Å; Y289-T325 HydrophobicContact CE1-CG2 3.86Å; Y289-T325 HydrophobicContact CE2-CG2 3.9Å; Y289-T325 HydrophobicContact CG-CG2 4.4Å; Y289-P331 HydrophobicContact CD2-CG 3.84Å; Y289-P331 HydrophobicContact CE2-CG 3.74Å
290	R	97.5	Very high	97.3	Very high	13 Å²	13	53.1 Å²	53.1	5%	0.049	25%	0.247	C	C	.	.			trans	-114.7	116	169.1	-64.7	-172.1	-56.1	120.3	-6.6	111.2	G52 G54 D283 N292 M293 E297	G52-R290 CarbonylContact O-C 3.56Å; G52-R290 WeakPolarHBondContact O-CA 3.47Å; G54-R290 WeakPolarHBondContact O-CD 3.45Å; D283-R290 VanDerWaalsContact CG-NH2 3.29Å; D283-R290 IonicContact OD1-CZ 2.92Å; D283-R290 IonicContact OD1-NE 3Å; D283-R290 PolarHBondContact OD1-NE 2.75Å; D283-R290 IonicContact OD1-NH2 3.63Å; D283-R290 PolarHBondContact OD1-NH2 3.43Å; D283-R290 IonicContact OD2-CZ 3.33Å; D283-R290 VanDerWaalsContact OD2-CZ 3.24Å; D283-R290 IonicContact OD2-NE 2.86Å; D283-R290 PolarHBondContact OD2-NE 3.43Å; D283-R290 IonicContact OD2-NH2 3.88Å; D283-R290 PolarHBondContact OD2-NH2 2.75Å; R290-N292 PolarHBondContact O-N 3.21Å; R290-N292 VanDerWaalsContact O-N 3.16Å; R290-M293 HydrophobicContact CB-CB 4.23Å; R290-M293 WeakPolarHBondContact O-CB 3.32Å; R290-M293 VanDerWaalsContact O-CG 3.3Å; R290-M293 WeakPolarHBondContact O-CG 3.19Å; R290-M293 PolarHBondContact O-N 2.88Å; R290-E297 IonicContact CZ-OE2 3.58Å; R290-E297 IonicContact NH1-OE2 3.24Å; R290-E297 PolarHBondContact NH1-OE2 3.14Å; R290-E297 IonicContact NH2-OE2 2.72Å; R290-E297 PolarHBondContact NH2-OE2 2.7Å
291	R	95.4	Very high	97.3	Very high	142 Å²	142	53.1 Å²	53.1	54%	0.536	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.9	175.2	-69.4	175.6	-179.1	-150.7	-0.6	113	V50 G52 Y289	V50-R291 PolarHBondContact O-NE 3.29Å; V50-R291 PolarHBondContact O-NH2 3.32Å; G52-R291 PolarHBondContact O-N 2.77Å; Y289-R291 HydrophobicContact CD1-CG 4.21Å; Y289-R291 HydrophobicContact CE1-CB 4.31Å; Y289-R291 HydrophobicContact CE1-CG 3.45Å; Y289-R291 VanDerWaalsContact CE1-CG 3.45Å
292	N	94.1	Very high	97.2	Very high	72 Å²	72	54.9 Å²	54.9	39%	0.385	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	10.8	-176.5	70.9	-19.2	0	0	0	114.2	R290 K294	R290-N292 PolarHBondContact O-N 3.21Å; R290-N292 VanDerWaalsContact O-N 3.16Å; N292-K294 WeakPolarHBondContact O-CE 3.4Å
293	M	96.4	Very high	97.1	Very high	41 Å²	41	56.7 Å²	56.7	20%	0.202	27%	0.273	C	S	.	.			trans	-52.9	141.6	179.9	65.2	-176.8	177.6	0	0	112.3	Y289 R290 L298 P331 V333 F334	Y289-M293 HydrophobicContact CE2-CE 4.11Å; R290-M293 HydrophobicContact CB-CB 4.23Å; R290-M293 WeakPolarHBondContact O-CB 3.32Å; R290-M293 VanDerWaalsContact O-CG 3.3Å; R290-M293 WeakPolarHBondContact O-CG 3.19Å; R290-M293 PolarHBondContact O-N 2.88Å; M293-L298 HydrophobicContact CB-CD2 4.43Å; M293-L298 HydrophobicContact SD-CD1 4.4Å; M293-L298 HydrophobicContact SD-CD2 4.23Å; M293-P331 HydrophobicContact CE-CB 3.81Å; M293-P331 HydrophobicContact CE-CG 4.21Å; M293-V333 HydrophobicContact CE-CG1 3.89Å; M293-F334 HydrophobicContact CE-CZ 4.29Å; M293-F334 HydrophobicContact SD-CE1 3.93Å; M293-F334 HydrophobicContact SD-CE2 4.47Å; M293-F334 HydrophobicContact SD-CZ 3.58Å; M293-F334 VanDerWaalsContact SD-CZ 3.58Å
294	K	96.6	Very high	97.2	Very high	120 Å²	120	56.6 Å²	56.6	52%	0.522	27%	0.273	S	S	.	.			trans	-110.6	145.4	175.9	-55.8	-59	175.5	-172.4	0	110	N292 K296 E297	N292-K294 WeakPolarHBondContact O-CE 3.4Å; K294-K296 HydrophobicContact CB-CG 4.24Å; K294-K296 PolarHBondContact O-N 2.89Å; K294-K296 VanDerWaalsContact O-N 3.11Å; K294-E297 HydrophobicContact CB-CG 4.11Å; K294-E297 PolarHBondContact N-OE2 3.28Å; K294-E297 WeakPolarHBondContact O-CA 3.23Å; K294-E297 VanDerWaalsContact O-CB 3.31Å; K294-E297 WeakPolarHBondContact O-CB 3.37Å; K294-E297 PolarHBondContact O-N 3.12Å
295	F	95.7	Very high	97.2	Very high	136 Å²	136	54 Å²	54	60%	0.596	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-54.3	-36.5	-178.1	-166.7	-95	0	0	0	113.4	E297 L298 V333 R337	F295-E297 PolarHBondContact O-N 2.73Å; F295-L298 WeakPolarHBondContact O-CB 3.43Å; F295-L298 PolarHBondContact O-N 3.03Å; F295-L298 VanDerWaalsContact O-N 3.13Å; F295-V333 HydrophobicContact CD2-CG2 4.21Å; F295-V333 HydrophobicContact CE2-CG2 4.07Å; F295-R337 VanDerWaalsContact CE2-NH2 3.28Å
296	K	96.8	Very high	97.2	Very high	186 Å²	186	52 Å²	52	81%	0.809	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-67.4	-15.2	176	71	174.6	-174.1	172.7	0	115.1	K294	K294-K296 HydrophobicContact CB-CG 4.24Å; K294-K296 PolarHBondContact O-N 2.89Å; K294-K296 VanDerWaalsContact O-N 3.11Å
297	E	97.5	Very high	97.2	Very high	41 Å²	41	52.8 Å²	52.8	19%	0.192	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-94.4	-2.3	177.5	-58.5	167.1	172.9	0	0	110.9	T284 L285 R290 K294 F295	T284-E297 WeakPolarHBondContact CB-O 3.16Å; T284-E297 WeakPolarHBondContact CG2-O 3.42Å; T284-E297 PolarHBondContact N-O 2.75Å; T284-E297 PolarHBondContact OG1-O 3.41Å; L285-E297 HydrophobicContact CD1-CB 4.15Å; L285-E297 HydrophobicContact CD1-CG 3.9Å; L285-E297 HydrophobicContact CG-CB 4.35Å; R290-E297 IonicContact CZ-OE2 3.58Å; R290-E297 IonicContact NH1-OE2 3.24Å; R290-E297 PolarHBondContact NH1-OE2 3.14Å; R290-E297 IonicContact NH2-OE2 2.72Å; R290-E297 PolarHBondContact NH2-OE2 2.7Å; K294-E297 HydrophobicContact CB-CG 4.11Å; K294-E297 PolarHBondContact N-OE2 3.28Å; K294-E297 WeakPolarHBondContact O-CA 3.23Å; K294-E297 VanDerWaalsContact O-CB 3.31Å; K294-E297 WeakPolarHBondContact O-CB 3.37Å; K294-E297 PolarHBondContact O-N 3.12Å; F295-E297 PolarHBondContact O-N 2.73Å
298	L	98.3	Very high	97.2	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.073	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-101	141.5	177.1	-52.4	-175.8	0	0	0	109.2	V282 D283 M293 F295 D300 V333 F334	V282-L298 CarbonylContact O-C 3.07Å; V282-L298 VanDerWaalsContact O-CA 3.23Å; V282-L298 WeakPolarHBondContact O-CA 3.43Å; D283-L298 HydrophobicContact CB-CD2 3.9Å; M293-L298 HydrophobicContact CB-CD2 4.43Å; M293-L298 HydrophobicContact SD-CD1 4.4Å; M293-L298 HydrophobicContact SD-CD2 4.23Å; F295-L298 WeakPolarHBondContact O-CB 3.43Å; F295-L298 PolarHBondContact O-N 3.03Å; F295-L298 VanDerWaalsContact O-N 3.13Å; L298-D300 PolarHBondContact O-N 3.41Å; L298-V333 HydrophobicContact CD1-CB 4.26Å; L298-V333 HydrophobicContact CD1-CG1 3.6Å; L298-V333 HydrophobicContact CD1-CG2 3.64Å; L298-F334 HydrophobicContact CD1-CE1 4.1Å; L298-F334 HydrophobicContact CD2-CE1 3.85Å; L298-F334 HydrophobicContact CD2-CZ 4.47Å
299	M	97.9	Very high	97.3	Very high	23 Å²	23	51.4 Å²	51.4	11%	0.113	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.9	132.2	169.1	-63	-176.9	67.1	0	0	109.2	V282 T284 A303 I304 D307 R337	V282-M299 PolarHBondContact O-N 2.84Å; T284-M299 HydrophobicContact CG2-CG 3.73Å; M299-A303 HydrophobicContact CE-CB 4.14Å; M299-I304 HydrophobicContact CB-CD1 4.1Å; M299-I304 HydrophobicContact CB-CG1 3.71Å; M299-I304 HydrophobicContact CE-CG1 3.95Å; M299-I304 HydrophobicContact SD-CG1 4.34Å; M299-D307 HydrophobicContact CE-CB 4.23Å; M299-R337 PolarHBondContact O-NE 3.26Å
300	D	96.9	Very high	97.2	Very high	79 Å²	79	50 Å²	50	42%	0.422	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-79.7	166.3	165.6	67.4	13.4	0	0	0	110.1	L298 A303 I304	L298-D300 PolarHBondContact O-N 3.41Å; D300-A303 PolarHBondContact O-N 2.98Å; D300-A303 WeakPolarHBondContact OD1-CB 3.01Å; D300-A303 PolarHBondContact OD1-N 3.32Å; D300-I304 WeakPolarHBondContact O-CG1 3.23Å; D300-I304 PolarHBondContact O-N 3.48Å
301	L	96.6	Very high	97.3	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-38.8	-175.1	-175.8	59.6	0	0	0	113.6	A303 I304 I305 L341 P435	L301-A303 PolarHBondContact O-N 3.45Å; L301-I304 PolarHBondContact O-N 3.19Å; L301-I305 HydrophobicContact CD1-CD1 3.86Å; L301-I305 HydrophobicContact CD1-CG1 4.25Å; L301-I305 HydrophobicContact CG-CD1 3.87Å; L301-I305 PolarHBondContact O-N 3.38Å; L301-L341 HydrophobicContact CD1-CB 4.18Å; L301-P435 HydrophobicContact CD2-CB 3.32Å
302	P	97.1	Very high	97.5	Very high	39 Å²	39	42.6 Å²	42.6	25%	0.253	21%	0.213	S	C	.	.	H	α-helix	trans	-56.2	-44.9	170.3	-27.5	36.5	0	0	0	113.3	I304 I305 D306	P302-I304 PolarHBondContact O-N 3.16Å; P302-I305 PolarHBondContact O-N 3.33Å; P302-D306 WeakPolarHBondContact O-CB 3.45Å; P302-D306 PolarHBondContact O-N 2.98Å
303	A	97.4	Very high	97.7	Very high	39 Å²	39	39.2 Å²	39.2	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-40.2	176.9	0	0	0	0	0	112.2	M299 D300 L301 D307	M299-A303 HydrophobicContact CE-CB 4.14Å; D300-A303 PolarHBondContact O-N 2.98Å; D300-A303 WeakPolarHBondContact OD1-CB 3.01Å; D300-A303 PolarHBondContact OD1-N 3.32Å; L301-A303 PolarHBondContact O-N 3.45Å; A303-D307 WeakPolarHBondContact O-CB 3.39Å; A303-D307 PolarHBondContact O-N 2.83Å
304	I	98.7	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-43.6	176.4	-68.7	168.3	0	0	0	111	V282 M299 D300 L301 P302 D307 L308 Y318 L320 R337 L341	V282-I304 HydrophobicContact CG2-CD1 4.37Å; M299-I304 HydrophobicContact CB-CD1 4.1Å; M299-I304 HydrophobicContact CB-CG1 3.71Å; M299-I304 HydrophobicContact CE-CG1 3.95Å; M299-I304 HydrophobicContact SD-CG1 4.34Å; D300-I304 WeakPolarHBondContact O-CG1 3.23Å; D300-I304 PolarHBondContact O-N 3.48Å; L301-I304 PolarHBondContact O-N 3.19Å; P302-I304 PolarHBondContact O-N 3.16Å; I304-D307 PolarHBondContact O-N 2.97Å; I304-L308 WeakPolarHBondContact O-CB 3.38Å; I304-L308 PolarHBondContact O-N 3.39Å; I304-Y318 HydrophobicContact CG2-CE1 4.19Å; I304-L320 HydrophobicContact CD1-CD2 4.32Å; I304-L320 HydrophobicContact CG2-CD2 3.91Å; I304-R337 HydrophobicContact CD1-CB 3.81Å; I304-R337 HydrophobicContact CD1-CG 4.05Å; I304-L341 HydrophobicContact CG2-CD1 4.29Å; I304-L341 HydrophobicContact CG2-CD2 4.13Å
305	I	98.4	Very high	97.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-72.1	-41.9	-178	-73	163.6	0	0	0	111.5	L301 P302 D307 L308 V309 L341 W344 G436 A438	L301-I305 HydrophobicContact CD1-CD1 3.86Å; L301-I305 HydrophobicContact CD1-CG1 4.25Å; L301-I305 HydrophobicContact CG-CD1 3.87Å; L301-I305 PolarHBondContact O-N 3.38Å; P302-I305 PolarHBondContact O-N 3.33Å; I305-D307 VanDerWaalsContact C-N 3.28Å; I305-D307 PolarHBondContact O-N 2.7Å; I305-L308 PolarHBondContact O-N 2.92Å; I305-V309 HydrophobicContact CG2-CG2 4.19Å; I305-V309 VanDerWaalsContact O-CB 3.32Å; I305-V309 WeakPolarHBondContact O-CB 3.42Å; I305-V309 WeakPolarHBondContact O-CG2 3.44Å; I305-V309 PolarHBondContact O-N 2.9Å; I305-L341 HydrophobicContact CG1-CD1 3.9Å; I305-W344 HydrophobicContact CD1-CB 3.72Å; I305-W344 HydrophobicContact CD1-CD2 4Å; I305-W344 HydrophobicContact CD1-CG 3.61Å; I305-W344 HydrophobicContact CG1-CD2 4.21Å; I305-W344 HydrophobicContact CG1-CE3 4.29Å; I305-W344 HydrophobicContact CG1-CG 4.32Å; I305-W344 HydrophobicContact CG2-CD2 3.94Å; I305-W344 HydrophobicContact CG2-CE3 4.17Å; I305-W344 HydrophobicContact CG2-CH2 4.14Å; I305-W344 HydrophobicContact CG2-CZ2 3.89Å; I305-W344 HydrophobicContact CG2-CZ3 4.27Å; I305-G436 VanDerWaalsContact CD1-CA 3.42Å; I305-A438 HydrophobicContact CG2-CB 3.75Å
306	D	97.4	Very high	98	Very high	65 Å²	65	26.2 Å²	26.2	35%	0.348	14%	0.14	S	C	.	.	H	α-helix	trans	-61.1	-40.3	174.7	-171.9	69.6	0	0	0	111.3	P302 V309 S310 T383	P302-D306 WeakPolarHBondContact O-CB 3.45Å; P302-D306 PolarHBondContact O-N 2.98Å; D306-V309 PolarHBondContact O-N 3.49Å; D306-S310 WeakPolarHBondContact O-CB 3.47Å; D306-S310 PolarHBondContact O-N 2.97Å; D306-S310 PolarHBondContact O-OG 2.82Å; D306-T383 WeakPolarHBondContact OD1-CB 3.44Å; D306-T383 WeakPolarHBondContact OD1-CG2 3.48Å; D306-T383 PolarHBondContact OD1-OG1 3.21Å
307	D	98.1	Very high	98.1	Very high	20 Å²	20	17.4 Å²	17.4	11%	0.107	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-41.6	177.9	-158.7	24.8	0	0	0	112.6	K278 M299 A303 I304 I305 S310 T311 Y318	K278-D307 WeakPolarHBondContact CD-OD1 3.35Å; K278-D307 WeakPolarHBondContact CE-OD1 3.4Å; K278-D307 WeakPolarHBondContact CE-OD2 3.4Å; K278-D307 VanDerWaalsContact NZ-CG 3.33Å; K278-D307 IonicContact NZ-OD1 2.74Å; K278-D307 PolarHBondContact NZ-OD1 2.86Å; K278-D307 IonicContact NZ-OD2 3.74Å; K278-D307 PolarHBondContact NZ-OD2 3.2Å; M299-D307 HydrophobicContact CE-CB 4.23Å; A303-D307 WeakPolarHBondContact O-CB 3.39Å; A303-D307 PolarHBondContact O-N 2.83Å; I304-D307 PolarHBondContact O-N 2.97Å; I305-D307 VanDerWaalsContact C-N 3.28Å; I305-D307 PolarHBondContact O-N 2.7Å; D307-S310 PolarHBondContact O-OG 2.94Å; D307-S310 VanDerWaalsContact O-OG 3.06Å; D307-T311 VanDerWaalsContact O-CB 3.23Å; D307-T311 WeakPolarHBondContact O-CB 3.31Å; D307-T311 PolarHBondContact O-N 2.75Å; D307-T311 VanDerWaalsContact O-N 3.08Å; D307-T311 PolarHBondContact O-OG1 3.13Å; D307-Y318 HydrophobicContact CB-CE2 3.94Å; D307-Y318 VanDerWaalsContact OD2-CE2 3.3Å; D307-Y318 WeakPolarHBondContact OD2-CE2 3.33Å; D307-Y318 PolarHBondContact OD2-OH 3.3Å
308	L	98.8	Very high	98.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-50.8	171.7	166.6	63	0	0	0	111.4	V39 I304 I305 T311 V312 Y318 L341 W344 L345	V39-L308 HydrophobicContact CG2-CD1 3.78Å; V39-L308 HydrophobicContact CG2-CD2 4.24Å; I304-L308 WeakPolarHBondContact O-CB 3.38Å; I304-L308 PolarHBondContact O-N 3.39Å; I305-L308 PolarHBondContact O-N 2.92Å; L308-T311 WeakPolarHBondContact O-CB 3.27Å; L308-T311 PolarHBondContact O-N 3.22Å; L308-V312 HydrophobicContact CD1-CG2 3.71Å; L308-V312 WeakPolarHBondContact O-CG2 3.32Å; L308-V312 PolarHBondContact O-N 3.32Å; L308-Y318 HydrophobicContact CB-CD1 4.03Å; L308-Y318 HydrophobicContact CB-CE1 4.33Å; L308-Y318 HydrophobicContact CB-CG 4.17Å; L308-Y318 HydrophobicContact CD1-CD1 4.09Å; L308-Y318 HydrophobicContact CD1-CG 3.97Å; L308-L341 HydrophobicContact CD2-CD1 3.75Å; L308-W344 HydrophobicContact CD2-CZ3 4.13Å; L308-L345 HydrophobicContact CD2-CD1 4.44Å; L308-L345 HydrophobicContact CD2-CD2 4.08Å
309	V	98.5	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-46.7	-173.3	165.5	0	0	0	0	110.8	I305 D306 T311 V312 A313 W344 I352 W370 I381 T383	I305-V309 HydrophobicContact CG2-CG2 4.19Å; I305-V309 VanDerWaalsContact O-CB 3.32Å; I305-V309 WeakPolarHBondContact O-CB 3.42Å; I305-V309 WeakPolarHBondContact O-CG2 3.44Å; I305-V309 PolarHBondContact O-N 2.9Å; D306-V309 PolarHBondContact O-N 3.49Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 2.77Å; V309-V312 PolarHBondContact O-N 2.78Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.27Å; V309-W344 HydrophobicContact CG2-CH2 3.62Å; V309-W344 HydrophobicContact CG2-CZ2 4.23Å; V309-W344 HydrophobicContact CG2-CZ3 4.33Å; V309-I352 HydrophobicContact CG2-CD1 4.37Å; V309-W370 HydrophobicContact CG1-CB 3.39Å; V309-W370 HydrophobicContact CG1-CG 3.66Å; V309-I381 HydrophobicContact CB-CG2 4.38Å; V309-I381 HydrophobicContact CG1-CB 3.84Å; V309-I381 HydrophobicContact CG1-CD1 3.91Å; V309-I381 HydrophobicContact CG1-CG1 4.5Å; V309-I381 HydrophobicContact CG1-CG2 3.71Å; V309-I381 HydrophobicContact CG2-CD1 4.33Å; V309-I381 HydrophobicContact CG2-CG2 3.71Å; V309-T383 HydrophobicContact CB-CG2 4.29Å; V309-T383 HydrophobicContact CG1-CG2 4.04Å
310	S	98.1	Very high	98.2	Very high	11 Å²	11	13.7 Å²	13.7	8%	0.077	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-41.5	176	61.4	0	0	0	0	112.1	D306 D307 V312 A313 L314	D306-S310 WeakPolarHBondContact O-CB 3.47Å; D306-S310 PolarHBondContact O-N 2.97Å; D306-S310 PolarHBondContact O-OG 2.82Å; D307-S310 PolarHBondContact O-OG 2.94Å; D307-S310 VanDerWaalsContact O-OG 3.06Å; S310-V312 PolarHBondContact O-N 3.02Å; S310-A313 PolarHBondContact O-N 3.36Å; S310-L314 WeakPolarHBondContact O-CB 3.39Å; S310-L314 PolarHBondContact O-N 2.77Å
311	T	98.7	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-49.2	175.6	-64.4	0	0	0	0	111.5	W276 K278 D307 L308 V309 L314 G315 G316 N317 Y318	W276-T311 HydrophobicContact CH2-CG2 3.8Å; W276-T311 HydrophobicContact CZ2-CG2 4Å; W276-T311 HydrophobicContact CZ3-CG2 4.45Å; K278-T311 HydrophobicContact CB-CG2 3.8Å; K278-T311 WeakPolarHBondContact CD-OG1 3.24Å; D307-T311 VanDerWaalsContact O-CB 3.23Å; D307-T311 WeakPolarHBondContact O-CB 3.31Å; D307-T311 PolarHBondContact O-N 2.75Å; D307-T311 VanDerWaalsContact O-N 3.08Å; D307-T311 PolarHBondContact O-OG1 3.13Å; L308-T311 WeakPolarHBondContact O-CB 3.27Å; L308-T311 PolarHBondContact O-N 3.22Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 2.77Å; T311-L314 CarbonylContact O-C 3.44Å; T311-L314 PolarHBondContact O-N 2.74Å; T311-G315 PolarHBondContact O-N 3.45Å; T311-G316 WeakPolarHBondContact O-CA 3.45Å; T311-G316 PolarHBondContact O-N 2.76Å; T311-N317 VanDerWaalsContact CG2-O 3.29Å; T311-N317 WeakPolarHBondContact CG2-O 3.4Å; T311-Y318 HydrophobicContact CG2-CD2 4.45Å
312	V	98.8	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70.1	-38.7	-177.8	175	0	0	0	0	111.7	K38 L308 V309 S310 L314 G315 I352 T372	K38-V312 HydrophobicContact CB-CG2 4.1Å; K38-V312 HydrophobicContact CD-CG1 4.31Å; K38-V312 HydrophobicContact CG-CG1 4.44Å; K38-V312 HydrophobicContact CG-CG2 4.45Å; L308-V312 HydrophobicContact CD1-CG2 3.71Å; L308-V312 WeakPolarHBondContact O-CG2 3.32Å; L308-V312 PolarHBondContact O-N 3.32Å; V309-V312 PolarHBondContact O-N 2.78Å; S310-V312 PolarHBondContact O-N 3.02Å; V312-L314 PolarHBondContact O-N 2.76Å; V312-G315 WeakPolarHBondContact O-CA 3.38Å; V312-G315 PolarHBondContact O-N 3.24Å; V312-I352 HydrophobicContact CB-CD1 4.41Å; V312-I352 HydrophobicContact CG1-CD1 4.34Å; V312-I352 HydrophobicContact CG1-CG2 4.49Å; V312-I352 HydrophobicContact CG2-CD1 4.5Å; V312-I352 HydrophobicContact CG2-CG2 4.14Å; V312-T372 HydrophobicContact CG1-CG2 3.95Å
313	A	98.5	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.9	-35.9	174.2	0	0	0	0	0	111.7	V309 S310 G315 P357 Q361 W370 Y371	V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.27Å; S310-A313 PolarHBondContact O-N 3.36Å; A313-G315 PolarHBondContact O-N 2.78Å; A313-P357 WeakPolarHBondContact O-CB 3.3Å; A313-Q361 WeakPolarHBondContact O-CG 3.42Å; A313-W370 HydrophobicContact CB-CB 4.18Å; A313-W370 HydrophobicContact CB-CD2 4.35Å; A313-W370 HydrophobicContact CB-CE3 3.58Å; A313-W370 HydrophobicContact CB-CZ3 4.35Å; A313-Y371 WeakPolarHBondContact CB-O 3.35Å
314	L	98.4	Very high	98.5	Very high	14 Å²	14	5.9 Å²	5.9	7%	0.073	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.4	172.8	-72.2	164	0	0	0	113.6	P268 L271 P272 W276 S310 T311 V312 G316 Q361 W370	P268-L314 HydrophobicContact CG-CB 4.47Å; P268-L314 HydrophobicContact CG-CD1 4.43Å; L271-L314 WeakPolarHBondContact CD1-O 3.3Å; P272-L314 WeakPolarHBondContact CD-O 3.02Å; W276-L314 HydrophobicContact CZ2-CB 3.83Å; W276-L314 PolarHBondContact NE1-O 2.64Å; S310-L314 WeakPolarHBondContact O-CB 3.39Å; S310-L314 PolarHBondContact O-N 2.77Å; T311-L314 CarbonylContact O-C 3.44Å; T311-L314 PolarHBondContact O-N 2.74Å; V312-L314 PolarHBondContact O-N 2.76Å; L314-G316 VanDerWaalsContact C-N 3.34Å; L314-G316 PolarHBondContact O-N 2.92Å; L314-Q361 HydrophobicContact CD2-CB 4.45Å; L314-Q361 HydrophobicContact CD2-CG 3.95Å; L314-Q361 HydrophobicContact CG-CG 4.46Å; L314-W370 HydrophobicContact CD1-CZ3 4.46Å; L314-W370 HydrophobicContact CG-CZ3 4.47Å
315	G	98.3	Very high	98.5	Very high	11 Å²	11	6.8 Å²	6.8	11%	0.113	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	4.8	172.3	0	0	0	0	0	115.2	K275 T311 V312 A313	K275-G315 PolarHBondContact NZ-O 3Å; T311-G315 PolarHBondContact O-N 3.45Å; V312-G315 WeakPolarHBondContact O-CA 3.38Å; V312-G315 PolarHBondContact O-N 3.24Å; A313-G315 PolarHBondContact O-N 2.78Å
316	G	98.5	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.044	C	C	.	.			trans	-79.4	168.7	-177.9	0	0	0	0	0	113.7	W276 T311 L314	W276-G316 VanDerWaalsContact NE1-N 3.17Å; W276-G316 CarbonylContact O-C 3.56Å; W276-G316 WeakPolarHBondContact O-CA 3.16Å; T311-G316 WeakPolarHBondContact O-CA 3.45Å; T311-G316 PolarHBondContact O-N 2.76Å; L314-G316 VanDerWaalsContact C-N 3.34Å; L314-G316 PolarHBondContact O-N 2.92Å
317	N	98.9	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	151.5	153.8	-74.9	6.2	0	0	0	109.8	Y34 K38 Y114 K275 W276 E277 K278 T311	Y34-N317 PolarHBondContact O-ND2 3.17Å; Y34-N317 PolarHBondContact O-OD1 2.79Å; K38-N317 WeakPolarHBondContact CA-OD1 3.38Å; K38-N317 CarbonylContact O-C 3.6Å; K38-N317 WeakPolarHBondContact O-CA 3.49Å; Y114-N317 WeakPolarHBondContact OH-CB 3.45Å; K275-N317 WeakPolarHBondContact CE-OD1 3.43Å; K275-N317 PolarHBondContact NZ-OD1 3.21Å; W276-N317 PolarHBondContact O-N 3.13Å; E277-N317 CarbonylContact C-O 3.55Å; E277-N317 VanDerWaalsContact CA-O 3.27Å; E277-N317 WeakPolarHBondContact CA-O 3.31Å; E277-N317 HydrophobicContact CB-CB 4.36Å; E277-N317 HydrophobicContact CG-CB 4.1Å; K278-N317 PolarHBondContact N-O 3.31Å; T311-N317 VanDerWaalsContact CG2-O 3.29Å; T311-N317 WeakPolarHBondContact CG2-O 3.4Å
318	Y	98.9	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.9	177.4	-172.8	-109.4	0	0	0	109.4	K38 V39 G40 K278 T280 I304 D307 L308 T311 L320	K38-Y318 PolarHBondContact O-N 3.03Å; V39-Y318 WeakPolarHBondContact CA-O 3.34Å; G40-Y318 PolarHBondContact N-O 3.16Å; K278-Y318 HydrophobicContact CB-CD2 4.3Å; K278-Y318 HydrophobicContact CD-CD2 4.43Å; K278-Y318 HydrophobicContact CD-CE2 4.34Å; K278-Y318 HydrophobicContact CG-CD2 4.4Å; T280-Y318 HydrophobicContact CG2-CE2 3.51Å; T280-Y318 WeakPolarHBondContact CG2-OH 3.32Å; I304-Y318 HydrophobicContact CG2-CE1 4.19Å; D307-Y318 HydrophobicContact CB-CE2 3.94Å; D307-Y318 VanDerWaalsContact OD2-CE2 3.3Å; D307-Y318 WeakPolarHBondContact OD2-CE2 3.33Å; D307-Y318 PolarHBondContact OD2-OH 3.3Å; L308-Y318 HydrophobicContact CB-CD1 4.03Å; L308-Y318 HydrophobicContact CB-CE1 4.33Å; L308-Y318 HydrophobicContact CB-CG 4.17Å; L308-Y318 HydrophobicContact CD1-CD1 4.09Å; L308-Y318 HydrophobicContact CD1-CG 3.97Å; T311-Y318 HydrophobicContact CG2-CD2 4.45Å; Y318-L320 HydrophobicContact CD1-CB 4.22Å; Y318-L320 HydrophobicContact CE1-CB 3.76Å; Y318-L320 HydrophobicContact CE1-CD1 4.15Å; Y318-L320 HydrophobicContact CE1-CD2 4.28Å; Y318-L320 HydrophobicContact CE1-CG 4.28Å
319	L	98.9	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	103	179.2	-179.5	58.7	0	0	0	108.8	G40 I41 F42 Y114 V116 E277 K278 C279 T280	G40-L319 WeakPolarHBondContact O-CA 3.47Å; I41-L319 VanDerWaalsContact C-CD1 3.45Å; F42-L319 HydrophobicContact CB-CD1 3.88Å; F42-L319 HydrophobicContact CB-CD2 4.3Å; F42-L319 HydrophobicContact CB-CG 3.88Å; F42-L319 HydrophobicContact CD1-CD2 3.44Å; F42-L319 VanDerWaalsContact CD1-CD2 3.44Å; F42-L319 HydrophobicContact CD1-CG 3.81Å; F42-L319 HydrophobicContact CE1-CD2 3.95Å; F42-L319 HydrophobicContact CG-CD1 4.34Å; F42-L319 HydrophobicContact CG-CD2 3.98Å; F42-L319 HydrophobicContact CG-CG 4.11Å; Y114-L319 HydrophobicContact CE2-CD1 3.83Å; V116-L319 HydrophobicContact CG2-CD1 4.27Å; V116-L319 HydrophobicContact CG2-CD2 4.35Å; E277-L319 HydrophobicContact CG-CB 3.86Å; E277-L319 VanDerWaalsContact OE1-CD2 3.26Å; E277-L319 WeakPolarHBondContact OE1-CD2 3.49Å; K278-L319 PolarHBondContact O-N 2.8Å; C279-L319 WeakPolarHBondContact CA-O 3.29Å; T280-L319 PolarHBondContact N-O 2.97Å
320	L	98.9	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.3	-175.3	-177.4	61.7	0	0	0	111	G40 I41 F42 T280 V282 I304 Y318 L338 L341	G40-L320 PolarHBondContact O-N 3.17Å; I41-L320 WeakPolarHBondContact CA-O 3.19Å; I41-L320 HydrophobicContact CD1-CB 4.38Å; F42-L320 PolarHBondContact N-O 3.31Å; T280-L320 HydrophobicContact CG2-CD1 3.97Å; V282-L320 HydrophobicContact CG2-CD1 3.79Å; V282-L320 HydrophobicContact CG2-CD2 3.93Å; V282-L320 HydrophobicContact CG2-CG 3.88Å; I304-L320 HydrophobicContact CD1-CD2 4.32Å; I304-L320 HydrophobicContact CG2-CD2 3.91Å; Y318-L320 HydrophobicContact CD1-CB 4.22Å; Y318-L320 HydrophobicContact CE1-CB 3.76Å; Y318-L320 HydrophobicContact CE1-CD1 4.15Å; Y318-L320 HydrophobicContact CE1-CD2 4.28Å; Y318-L320 HydrophobicContact CE1-CG 4.28Å; L320-L338 HydrophobicContact CD2-CD2 3.88Å; L320-L341 HydrophobicContact CD2-CD2 4.32Å
321	N	98.9	Very high	98.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.2	-179.4	176.9	82.6	0	0	0	113.3	F42 H44 T280 S281 V282 W287	F42-N321 HydrophobicContact CB-CB 3.79Å; F42-N321 CarbonylContact O-C 3.52Å; F42-N321 VanDerWaalsContact O-CA 3.25Å; F42-N321 WeakPolarHBondContact O-CA 3.5Å; F42-N321 PolarHBondContact O-OD1 3.17Å; H44-N321 PolarHBondContact N-OD1 3.42Å; H44-N321 PolarHBondContact ND1-OD1 3.12Å; T280-N321 WeakPolarHBondContact O-CB 2.86Å; T280-N321 PolarHBondContact O-N 2.86Å; S281-N321 PolarHBondContact OG-ND2 3.45Å; V282-N321 PolarHBondContact N-O 2.92Å; W287-N321 WeakPolarHBondContact CA-ND2 3.35Å; W287-N321 HydrophobicContact CE3-CB 3.57Å; W287-N321 HydrophobicContact CZ3-CB 3.84Å; W287-N321 PolarHBondContact O-ND2 2.95Å
322	V	98.8	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.6	162.8	-61.4	0	0	0	0	110.6	I41 F42 V43 H44 F107 V282 P324 F334 L338	I41-V322 HydrophobicContact CG2-CG2 4.25Å; F42-V322 PolarHBondContact O-N 3.48Å; V43-V322 WeakPolarHBondContact CA-O 3.31Å; V43-V322 HydrophobicContact CG2-CG2 4.34Å; H44-V322 PolarHBondContact N-O 2.85Å; F107-V322 HydrophobicContact CE1-CG2 4.48Å; V282-V322 HydrophobicContact CG2-CG1 4.14Å; V322-P324 WeakPolarHBondContact O-CD 3.45Å; V322-F334 HydrophobicContact CB-CB 4.31Å; V322-F334 HydrophobicContact CB-CD2 4.04Å; V322-F334 HydrophobicContact CB-CG 4.43Å; V322-F334 HydrophobicContact CG1-CB 3.91Å; V322-F334 HydrophobicContact CG1-CD2 4.42Å; V322-F334 HydrophobicContact CG1-CG 4.31Å; V322-L338 HydrophobicContact CG1-CD1 3.94Å; V322-L338 HydrophobicContact CG1-CD2 4.25Å; V322-L338 HydrophobicContact CG1-CG 4.19Å
323	G	98.3	Very high	98.4	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.021	10%	0.095	C	C	.	.			trans	-110.2	101.7	176.2	0	0	0	0	0	111.6	Y289 F334	Y289-G323 WeakPolarHBondContact CB-O 3.49Å; G323-F334 WeakPolarHBondContact O-CE2 3.39Å
324	P	98.7	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.			trans	-70.3	154.3	177	-16.8	31.2	0	0	0	112.8	V43 H44 W45 S49 W103 Y289 V322 T329 I330	V43-P324 HydrophobicContact CG1-CG 3.52Å; H44-P324 WeakPolarHBondContact O-CD 3.38Å; W45-P324 HydrophobicContact CB-CG 4.21Å; W45-P324 HydrophobicContact CG-CB 4.13Å; W45-P324 HydrophobicContact CG-CG 4.16Å; S49-P324 PolarHBondContact OG-O 3.38Å; W103-P324 HydrophobicContact CH2-CB 3.6Å; W103-P324 HydrophobicContact CH2-CG 3.32Å; W103-P324 HydrophobicContact CZ2-CB 3.47Å; W103-P324 VanDerWaalsContact CZ2-CB 3.47Å; W103-P324 HydrophobicContact CZ2-CG 3.62Å; W103-P324 HydrophobicContact CZ3-CG 4.03Å; Y289-P324 VanDerWaalsContact CB-O 3.25Å; Y289-P324 WeakPolarHBondContact CB-O 3.41Å; V322-P324 WeakPolarHBondContact O-CD 3.45Å; P324-T329 WeakPolarHBondContact CA-O 3.23Å; P324-I330 HydrophobicContact CG-CG1 4.45Å
325	T	98.6	Very high	98.5	Very high	18 Å²	18	16.3 Å²	16.3	11%	0.11	10%	0.102	C	C	.	.			trans	-67.8	160.6	176.1	70.8	0	0	0	0	111.3	W45 Y289 D327 G328 T329 P331	W45-T325 PolarHBondContact NE1-O 3.36Å; Y289-T325 HydrophobicContact CD1-CG2 4.23Å; Y289-T325 HydrophobicContact CD2-CG2 4.23Å; Y289-T325 HydrophobicContact CE1-CG2 3.86Å; Y289-T325 HydrophobicContact CE2-CG2 3.9Å; Y289-T325 HydrophobicContact CG-CG2 4.4Å; T325-D327 PolarHBondContact O-N 3.38Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-N 2.82Å; T325-G328 PolarHBondContact O-N 3.36Å; T325-T329 WeakPolarHBondContact CG2-OG1 3.37Å; T325-T329 PolarHBondContact N-O 3.1Å; T325-T329 PolarHBondContact OG1-N 3.5Å; T325-T329 PolarHBondContact OG1-O 2.92Å; T325-T329 PolarHBondContact OG1-OG1 2.88Å; T325-P331 HydrophobicContact CG2-CG 4.17Å
326	A	98.2	Very high	98.5	Very high	8 Å²	8	20 Å²	20	7%	0.066	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.3	175.6	0	0	0	0	0	114.2	V50 F93 A95 G328	V50-A326 HydrophobicContact CB-CB 4.37Å; V50-A326 HydrophobicContact CG2-CB 3.86Å; F93-A326 HydrophobicContact CD2-CB 4.22Å; A95-A326 PolarHBondContact N-O 2.73Å; A326-G328 VanDerWaalsContact C-N 3.28Å
327	D	97.6	Very high	98.5	Very high	50 Å²	50	20.9 Å²	20.9	27%	0.267	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.1	176.9	-70.2	-24.4	0	0	0	112.9	A95 Q96 F97 F98 T325	A95-D327 CarbonylContact C-O 3.38Å; A95-D327 WeakPolarHBondContact CA-O 3.48Å; Q96-D327 HydrophobicContact CG-CB 3.77Å; Q96-D327 PolarHBondContact N-O 2.74Å; Q96-D327 VanDerWaalsContact N-O 3.08Å; Q96-D327 PolarHBondContact NE2-OD1 2.79Å; Q96-D327 PolarHBondContact NE2-OD2 3.26Å; F97-D327 CarbonylContact C-O 3.57Å; F97-D327 WeakPolarHBondContact CA-O 3.21Å; F97-D327 HydrophobicContact CD2-CB 3.75Å; F97-D327 HydrophobicContact CE2-CB 4.29Å; F97-D327 PolarHBondContact N-O 2.95Å; F98-D327 PolarHBondContact N-O 3.16Å; T325-D327 PolarHBondContact O-N 3.38Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-N 2.82Å
328	G	98.3	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	89.7	14.9	176.2	0	0	0	0	0	115.1	W45 W103 T325 A326	W45-G328 VanDerWaalsContact CZ2-CA 3.46Å; W103-G328 WeakPolarHBondContact CZ2-O 3.24Å; W103-G328 PolarHBondContact NE1-O 2.96Å; T325-G328 PolarHBondContact O-N 3.36Å; A326-G328 VanDerWaalsContact C-N 3.28Å
329	T	98.2	Very high	98.4	Very high	56 Å²	56	25.7 Å²	25.7	34%	0.344	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-88.9	138.7	170.4	60.6	0	0	0	0	110.9	F97 P324 T325 P331	F97-T329 HydrophobicContact CB-CG2 3.63Å; F97-T329 HydrophobicContact CD2-CG2 4.03Å; F97-T329 HydrophobicContact CG-CG2 4.23Å; P324-T329 WeakPolarHBondContact CA-O 3.23Å; T325-T329 WeakPolarHBondContact CG2-OG1 3.37Å; T325-T329 PolarHBondContact N-O 3.1Å; T325-T329 PolarHBondContact OG1-N 3.5Å; T325-T329 PolarHBondContact OG1-O 2.92Å; T325-T329 PolarHBondContact OG1-OG1 2.88Å; T329-P331 WeakPolarHBondContact O-CD 3.38Å
330	I	98.8	Very high	98.4	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.067	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-78.8	121.5	163.3	-66.7	169.3	0	0	0	106.6	W103 I106 F107 P324 S332 F334 E335	W103-I330 HydrophobicContact CB-CD1 4.35Å; W103-I330 HydrophobicContact CD2-CD1 3.91Å; W103-I330 HydrophobicContact CD2-CG1 4.19Å; W103-I330 HydrophobicContact CG-CD1 3.74Å; W103-I330 HydrophobicContact CG-CG1 4.35Å; W103-I330 HydrophobicContact CZ2-CG1 4.31Å; I106-I330 HydrophobicContact CD1-CD1 4Å; I106-I330 HydrophobicContact CG2-CD1 4.39Å; F107-I330 HydrophobicContact CE1-CD1 3.73Å; F107-I330 HydrophobicContact CZ-CD1 3.95Å; P324-I330 HydrophobicContact CG-CG1 4.45Å; I330-S332 PolarHBondContact O-N 2.8Å; I330-F334 HydrophobicContact CG2-CB 3.93Å; I330-E335 HydrophobicContact CG2-CB 4.29Å
331	P	98.4	Very high	98.4	Very high	14 Å²	14	26.2 Å²	26.2	9%	0.091	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-51.8	133.5	176.1	-28.5	34.4	0	0	0	111.6	Y289 M293 T325 T329 V333 F334 E335	Y289-P331 HydrophobicContact CD2-CG 3.84Å; Y289-P331 HydrophobicContact CE2-CG 3.74Å; M293-P331 HydrophobicContact CE-CB 3.81Å; M293-P331 HydrophobicContact CE-CG 4.21Å; T325-P331 HydrophobicContact CG2-CG 4.17Å; T329-P331 WeakPolarHBondContact O-CD 3.38Å; P331-V333 HydrophobicContact CB-CG1 4.37Å; P331-V333 PolarHBondContact O-N 3.38Å; P331-F334 HydrophobicContact CB-CD2 3.97Å; P331-F334 HydrophobicContact CB-CE2 4.26Å; P331-F334 HydrophobicContact CB-CG 4.25Å; P331-F334 HydrophobicContact CG-CD2 3.74Å; P331-F334 HydrophobicContact CG-CE2 3.8Å; P331-F334 WeakPolarHBondContact O-CA 3.38Å; P331-F334 WeakPolarHBondContact O-CB 3.23Å; P331-F334 PolarHBondContact O-N 2.91Å; P331-E335 PolarHBondContact O-N 3.39Å; P331-E335 VanDerWaalsContact O-N 3.13Å
332	S	97.8	Very high	98.4	Very high	94 Å²	94	26.6 Å²	26.6	66%	0.657	15%	0.146	S	C	*	.	H	α-helix	trans	-57.6	-28.5	-172.6	-48.4	0	0	0	0	113.8	I330 E335 E336	I330-S332 PolarHBondContact O-N 2.8Å; S332-E335 PolarHBondContact O-N 2.52Å; S332-E336 VanDerWaalsContact O-CB 3.3Å; S332-E336 WeakPolarHBondContact O-CB 3.39Å; S332-E336 PolarHBondContact O-N 3.39Å
333	V	97.7	Very high	98.3	Very high	31 Å²	31	29 Å²	29	19%	0.188	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-36.4	173.4	65.8	0	0	0	0	112.1	M293 F295 L298 P331 R337	M293-V333 HydrophobicContact CE-CG1 3.89Å; F295-V333 HydrophobicContact CD2-CG2 4.21Å; F295-V333 HydrophobicContact CE2-CG2 4.07Å; L298-V333 HydrophobicContact CD1-CB 4.26Å; L298-V333 HydrophobicContact CD1-CG1 3.6Å; L298-V333 HydrophobicContact CD1-CG2 3.64Å; P331-V333 HydrophobicContact CB-CG1 4.37Å; P331-V333 PolarHBondContact O-N 3.38Å; V333-R337 WeakPolarHBondContact O-CG 3.33Å; V333-R337 PolarHBondContact O-N 2.7Å
334	F	98.7	Very high	98.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-70.7	-44.9	174.8	-60.7	-16	0	0	0	110.6	V282 D283 M293 L298 V322 G323 I330 P331 E336 R337 L338	V282-F334 HydrophobicContact CB-CD1 4.04Å; V282-F334 HydrophobicContact CB-CE1 4.27Å; V282-F334 HydrophobicContact CG1-CD1 3.55Å; V282-F334 HydrophobicContact CG1-CE1 3.89Å; D283-F334 HydrophobicContact CB-CZ 4.23Å; M293-F334 HydrophobicContact CE-CZ 4.29Å; M293-F334 HydrophobicContact SD-CE1 3.93Å; M293-F334 HydrophobicContact SD-CE2 4.47Å; M293-F334 HydrophobicContact SD-CZ 3.58Å; M293-F334 VanDerWaalsContact SD-CZ 3.58Å; L298-F334 HydrophobicContact CD1-CE1 4.1Å; L298-F334 HydrophobicContact CD2-CE1 3.85Å; L298-F334 HydrophobicContact CD2-CZ 4.47Å; V322-F334 HydrophobicContact CB-CB 4.31Å; V322-F334 HydrophobicContact CB-CD2 4.04Å; V322-F334 HydrophobicContact CB-CG 4.43Å; V322-F334 HydrophobicContact CG1-CB 3.91Å; V322-F334 HydrophobicContact CG1-CD2 4.42Å; V322-F334 HydrophobicContact CG1-CG 4.31Å; G323-F334 WeakPolarHBondContact O-CE2 3.39Å; I330-F334 HydrophobicContact CG2-CB 3.93Å; P331-F334 HydrophobicContact CB-CD2 3.97Å; P331-F334 HydrophobicContact CB-CE2 4.26Å; P331-F334 HydrophobicContact CB-CG 4.25Å; P331-F334 HydrophobicContact CG-CD2 3.74Å; P331-F334 HydrophobicContact CG-CE2 3.8Å; P331-F334 WeakPolarHBondContact O-CA 3.38Å; P331-F334 WeakPolarHBondContact O-CB 3.23Å; P331-F334 PolarHBondContact O-N 2.91Å; F334-E336 VanDerWaalsContact C-N 3.3Å; F334-E336 PolarHBondContact O-N 3Å; F334-R337 PolarHBondContact O-N 3.4Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 2.82Å
335	E	98.6	Very high	98.3	Very high	44 Å²	44	29.4 Å²	29.4	21%	0.206	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-44.5	174.9	-179.5	-179.6	-178.3	0	0	111.8	I106 I330 P331 S332 R337 L338 R339	I106-E335 HydrophobicContact CD1-CG 3.95Å; I106-E335 HydrophobicContact CG1-CG 3.96Å; I106-E335 HydrophobicContact CG2-CG 4.06Å; I330-E335 HydrophobicContact CG2-CB 4.29Å; P331-E335 PolarHBondContact O-N 3.39Å; P331-E335 VanDerWaalsContact O-N 3.13Å; S332-E335 PolarHBondContact O-N 2.52Å; E335-R337 VanDerWaalsContact C-N 3.35Å; E335-R337 PolarHBondContact O-N 2.72Å; E335-L338 PolarHBondContact O-N 3.21Å; E335-R339 HydrophobicContact CG-CG 4.29Å; E335-R339 WeakPolarHBondContact O-CG 3.23Å; E335-R339 PolarHBondContact O-N 2.82Å; E335-R339 IonicContact OE1-CZ 3.09Å; E335-R339 VanDerWaalsContact OE1-CZ 3.24Å; E335-R339 IonicContact OE1-NE 2.73Å; E335-R339 PolarHBondContact OE1-NE 2.51Å; E335-R339 IonicContact OE1-NH2 2.84Å; E335-R339 PolarHBondContact OE1-NH2 2.85Å
336	E	98.2	Very high	98.2	Very high	89 Å²	89	36.8 Å²	36.8	42%	0.416	20%	0.201	S	C	.	.	H	α-helix	trans	-60.8	-42.7	178.3	-177	-80	166.2	0	0	111.6	S332 F334 L338 G340	S332-E336 VanDerWaalsContact O-CB 3.3Å; S332-E336 WeakPolarHBondContact O-CB 3.39Å; S332-E336 PolarHBondContact O-N 3.39Å; F334-E336 VanDerWaalsContact C-N 3.3Å; F334-E336 PolarHBondContact O-N 3Å; E336-L338 PolarHBondContact O-N 3.26Å; E336-G340 PolarHBondContact O-N 3.29Å
337	R	98.4	Very high	98.1	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.7	-65.6	-51.9	-174.1	-112.9	-4.3	112.2	V282 F295 M299 I304 V333 F334 E335 G340 L341	V282-R337 HydrophobicContact CG1-CB 4.49Å; V282-R337 HydrophobicContact CG1-CG 4.09Å; F295-R337 VanDerWaalsContact CE2-NH2 3.28Å; M299-R337 PolarHBondContact O-NE 3.26Å; I304-R337 HydrophobicContact CD1-CB 3.81Å; I304-R337 HydrophobicContact CD1-CG 4.05Å; V333-R337 WeakPolarHBondContact O-CG 3.33Å; V333-R337 PolarHBondContact O-N 2.7Å; F334-R337 PolarHBondContact O-N 3.4Å; E335-R337 VanDerWaalsContact C-N 3.35Å; E335-R337 PolarHBondContact O-N 2.72Å; R337-G340 PolarHBondContact O-N 3.25Å; R337-L341 WeakPolarHBondContact O-CB 3.42Å; R337-L341 PolarHBondContact O-N 3Å
338	L	98.8	Very high	98.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-51.7	178.8	-70.7	-171.7	0	0	0	111.1	I41 I106 F107 S110 L320 V322 F334 E335 E336 G340 L341 G342	I41-L338 HydrophobicContact CD1-CD2 3.51Å; I106-L338 HydrophobicContact CG2-CB 4.29Å; I106-L338 HydrophobicContact CG2-CD1 3.76Å; F107-L338 HydrophobicContact CD1-CD1 4.22Å; F107-L338 HydrophobicContact CE1-CD1 4.36Å; S110-L338 WeakPolarHBondContact CA-O 3.34Å; S110-L338 VanDerWaalsContact CB-O 3.29Å; S110-L338 WeakPolarHBondContact CB-O 3.47Å; L320-L338 HydrophobicContact CD2-CD2 3.88Å; V322-L338 HydrophobicContact CG1-CD1 3.94Å; V322-L338 HydrophobicContact CG1-CD2 4.25Å; V322-L338 HydrophobicContact CG1-CG 4.19Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 2.82Å; E335-L338 PolarHBondContact O-N 3.21Å; E336-L338 PolarHBondContact O-N 3.26Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.09Å; L338-L341 WeakPolarHBondContact O-CB 3.24Å; L338-L341 PolarHBondContact O-N 3.48Å; L338-G342 PolarHBondContact O-N 3.33Å
339	R	98.6	Very high	98.2	Very high	101 Å²	101	38 Å²	38	38%	0.381	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-36.8	177.9	-67.9	-175.3	-177.4	-77.6	0.1	112.3	A109 E335 L341 G342 A343	A109-R339 HydrophobicContact CB-CG 4.28Å; A109-R339 VanDerWaalsContact CB-NH1 3.3Å; E335-R339 HydrophobicContact CG-CG 4.29Å; E335-R339 WeakPolarHBondContact O-CG 3.23Å; E335-R339 PolarHBondContact O-N 2.82Å; E335-R339 IonicContact OE1-CZ 3.09Å; E335-R339 VanDerWaalsContact OE1-CZ 3.24Å; E335-R339 IonicContact OE1-NE 2.73Å; E335-R339 PolarHBondContact OE1-NE 2.51Å; E335-R339 IonicContact OE1-NH2 2.84Å; E335-R339 PolarHBondContact OE1-NH2 2.85Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-G342 PolarHBondContact O-N 2.71Å; R339-A343 PolarHBondContact O-N 3.06Å
340	G	98.3	Very high	98.2	Very high	10 Å²	10	39.3 Å²	39.3	10%	0.103	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-41	174.3	0	0	0	0	0	112.8	E336 R337 L338 A343 W344	E336-G340 PolarHBondContact O-N 3.29Å; R337-G340 PolarHBondContact O-N 3.25Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.09Å; G340-A343 PolarHBondContact O-N 3.08Å; G340-W344 PolarHBondContact O-N 2.75Å
341	L	98.8	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-45.9	173.4	173.9	60.1	0	0	0	111.1	V39 L301 I304 I305 L308 L320 R337 L338 R339 W344 L345	V39-L341 HydrophobicContact CG1-CD2 4.36Å; L301-L341 HydrophobicContact CD1-CB 4.18Å; I304-L341 HydrophobicContact CG2-CD1 4.29Å; I304-L341 HydrophobicContact CG2-CD2 4.13Å; I305-L341 HydrophobicContact CG1-CD1 3.9Å; L308-L341 HydrophobicContact CD2-CD1 3.75Å; L320-L341 HydrophobicContact CD2-CD2 4.32Å; R337-L341 WeakPolarHBondContact O-CB 3.42Å; R337-L341 PolarHBondContact O-N 3Å; L338-L341 WeakPolarHBondContact O-CB 3.24Å; L338-L341 PolarHBondContact O-N 3.48Å; R339-L341 VanDerWaalsContact C-N 3.34Å; L341-W344 WeakPolarHBondContact O-CB 3.45Å; L341-W344 PolarHBondContact O-N 3.46Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.31Å; L341-L345 HydrophobicContact CG-CD1 3.83Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.29Å
342	G	98.4	Very high	98.2	Very high	8 Å²	8	38 Å²	38	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-40.6	178.7	0	0	0	0	0	113.9	A109 S110 L338 R339 W344 L345 E346	A109-G342 VanDerWaalsContact O-CA 3.32Å; A109-G342 WeakPolarHBondContact O-CA 3.3Å; S110-G342 WeakPolarHBondContact O-CA 3.07Å; S110-G342 PolarHBondContact O-N 2.76Å; L338-G342 PolarHBondContact O-N 3.33Å; R339-G342 PolarHBondContact O-N 2.71Å; G342-W344 VanDerWaalsContact C-N 3.26Å; G342-W344 PolarHBondContact O-N 2.62Å; G342-L345 CarbonylContact O-C 3.46Å; G342-L345 PolarHBondContact O-N 2.97Å; G342-L345 VanDerWaalsContact O-N 3.11Å; G342-E346 PolarHBondContact O-N 2.91Å
343	A	97.7	Very high	98.2	Very high	51 Å²	51	35.5 Å²	35.5	42%	0.421	18%	0.182	S	C	.	.	H	α-helix	trans	-60.1	-36.9	174.4	0	0	0	0	0	112	R339 G340	R339-A343 PolarHBondContact O-N 3.06Å; G340-A343 PolarHBondContact O-N 3.08Å
344	W	98.1	Very high	98.3	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-42.4	173	-177.6	80.2	0	0	0	112.3	I305 L308 V309 G340 L341 G342 E346 T347 N348 I352 I381 A438	I305-W344 HydrophobicContact CD1-CB 3.72Å; I305-W344 HydrophobicContact CD1-CD2 4Å; I305-W344 HydrophobicContact CD1-CG 3.61Å; I305-W344 HydrophobicContact CG1-CD2 4.21Å; I305-W344 HydrophobicContact CG1-CE3 4.29Å; I305-W344 HydrophobicContact CG1-CG 4.32Å; I305-W344 HydrophobicContact CG2-CD2 3.94Å; I305-W344 HydrophobicContact CG2-CE3 4.17Å; I305-W344 HydrophobicContact CG2-CH2 4.14Å; I305-W344 HydrophobicContact CG2-CZ2 3.89Å; I305-W344 HydrophobicContact CG2-CZ3 4.27Å; L308-W344 HydrophobicContact CD2-CZ3 4.13Å; V309-W344 HydrophobicContact CG2-CH2 3.62Å; V309-W344 HydrophobicContact CG2-CZ2 4.23Å; V309-W344 HydrophobicContact CG2-CZ3 4.33Å; G340-W344 PolarHBondContact O-N 2.75Å; L341-W344 WeakPolarHBondContact O-CB 3.45Å; L341-W344 PolarHBondContact O-N 3.46Å; G342-W344 VanDerWaalsContact C-N 3.26Å; G342-W344 PolarHBondContact O-N 2.62Å; W344-E346 VanDerWaalsContact C-N 3.31Å; W344-E346 PolarHBondContact O-N 3.11Å; W344-T347 PolarHBondContact O-N 3.5Å; W344-N348 HydrophobicContact CD2-CB 4.08Å; W344-N348 HydrophobicContact CE3-CB 4.26Å; W344-N348 HydrophobicContact CH2-CB 3.8Å; W344-N348 HydrophobicContact CZ2-CB 3.59Å; W344-N348 HydrophobicContact CZ3-CB 4.14Å; W344-N348 PolarHBondContact NE1-ND2 2.99Å; W344-N348 WeakPolarHBondContact O-CB 3Å; W344-N348 PolarHBondContact O-N 3.13Å; W344-N348 PolarHBondContact O-ND2 2.89Å; W344-I352 HydrophobicContact CH2-CD1 4.21Å; W344-I352 HydrophobicContact CH2-CG1 4.22Å; W344-I352 HydrophobicContact CZ3-CD1 4.28Å; W344-I352 HydrophobicContact CZ3-CG1 4Å; W344-I381 HydrophobicContact CH2-CG2 4.33Å; W344-I381 HydrophobicContact CZ2-CG2 4.09Å; W344-A438 HydrophobicContact CZ2-CB 4.26Å; W344-A438 PolarHBondContact NE1-O 3.15Å
345	L	98.4	Very high	98.3	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-25	178.4	-74.6	165.7	0	0	0	113.4	V39 L308 L341 G342 T347 G349 I352 Y353	V39-L345 HydrophobicContact CG1-CD1 4.43Å; V39-L345 HydrophobicContact CG2-CD1 4.15Å; L308-L345 HydrophobicContact CD2-CD1 4.44Å; L308-L345 HydrophobicContact CD2-CD2 4.08Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.31Å; L341-L345 HydrophobicContact CG-CD1 3.83Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.29Å; G342-L345 CarbonylContact O-C 3.46Å; G342-L345 PolarHBondContact O-N 2.97Å; G342-L345 VanDerWaalsContact O-N 3.11Å; L345-T347 PolarHBondContact O-N 2.77Å; L345-G349 WeakPolarHBondContact O-CA 3.33Å; L345-G349 PolarHBondContact O-N 3.06Å; L345-I352 HydrophobicContact CD2-CB 4.14Å; L345-I352 HydrophobicContact CD2-CG1 3.89Å; L345-I352 HydrophobicContact CD2-CG2 4.18Å; L345-Y353 WeakPolarHBondContact CD1-OH 3Å; L345-Y353 HydrophobicContact CD2-CE2 4.35Å
346	E	96.8	Very high	98.3	Very high	172 Å²	172	38.5 Å²	38.5	80%	0.804	20%	0.197	S	C	*	.	H	α-helix	trans	-60.6	-38	173.8	-173.3	175.1	-170.8	0	0	111.5	G342 W344	G342-E346 PolarHBondContact O-N 2.91Å; W344-E346 VanDerWaalsContact C-N 3.31Å; W344-E346 PolarHBondContact O-N 3.11Å
347	T	96.5	Very high	98.3	Very high	70 Å²	70	36 Å²	36	43%	0.429	19%	0.188	S	C	.	.	H	α-helix	trans	-87.5	-41.9	176.8	-59.7	0	0	0	0	112.4	W344 L345 L407	W344-T347 PolarHBondContact O-N 3.5Å; L345-T347 PolarHBondContact O-N 2.77Å; T347-L407 HydrophobicContact CG2-CB 4.44Å
348	N	97.9	Very high	98.2	Very high	8 Å²	8	36 Å²	36	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-103.3	-1.4	-168.3	-61.4	-85.5	0	0	0	113.8	W344 E350 A351 T440	W344-N348 HydrophobicContact CD2-CB 4.08Å; W344-N348 HydrophobicContact CE3-CB 4.26Å; W344-N348 HydrophobicContact CH2-CB 3.8Å; W344-N348 HydrophobicContact CZ2-CB 3.59Å; W344-N348 HydrophobicContact CZ3-CB 4.14Å; W344-N348 PolarHBondContact NE1-ND2 2.99Å; W344-N348 WeakPolarHBondContact O-CB 3Å; W344-N348 PolarHBondContact O-N 3.13Å; W344-N348 PolarHBondContact O-ND2 2.89Å; N348-E350 PolarHBondContact O-N 2.96Å; N348-E350 VanDerWaalsContact O-N 3.13Å; N348-A351 WeakPolarHBondContact O-CB 3.24Å; N348-A351 PolarHBondContact O-N 3.16Å; N348-T440 VanDerWaalsContact OD1-CB 3.27Å; N348-T440 WeakPolarHBondContact OD1-CB 3.26Å; N348-T440 PolarHBondContact OD1-N 3.26Å; N348-T440 PolarHBondContact OD1-OG1 3.34Å
349	G	98.3	Very high	98	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24.8	-172.7	0	0	0	0	0	114.4	L345 A351 I352 Y353	L345-G349 WeakPolarHBondContact O-CA 3.33Å; L345-G349 PolarHBondContact O-N 3.06Å; G349-A351 PolarHBondContact O-N 2.91Å; G349-I352 PolarHBondContact O-N 3.21Å; G349-Y353 WeakPolarHBondContact O-CD2 3.5Å; G349-Y353 PolarHBondContact O-N 3.34Å
350	E	98.1	Very high	97.8	Very high	84 Å²	84	38.6 Å²	38.6	39%	0.393	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-57.6	-33	172.7	-168.7	-173.3	165.1	0	0	112.1	N348 I352 T355 Y379 L407 K442	N348-E350 PolarHBondContact O-N 2.96Å; N348-E350 VanDerWaalsContact O-N 3.13Å; E350-I352 VanDerWaalsContact C-N 3.31Å; E350-T355 WeakPolarHBondContact O-CG2 3.34Å; E350-Y379 HydrophobicContact CB-CE1 4.49Å; E350-Y379 HydrophobicContact CG-CE1 4.04Å; E350-Y379 WeakPolarHBondContact CG-OH 3.16Å; E350-Y379 PolarHBondContact OE1-OH 3.12Å; E350-L407 HydrophobicContact CB-CD1 4.31Å; E350-K442 IonicContact OE1-NZ 3.32Å; E350-K442 PolarHBondContact OE1-NZ 3.2Å; E350-K442 IonicContact OE2-NZ 2.72Å
351	A	98.6	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-85.2	-2	177.9	0	0	0	0	0	114.1	N348 G349 T355 T372 Y379 I381 L407 T440	N348-A351 WeakPolarHBondContact O-CB 3.24Å; N348-A351 PolarHBondContact O-N 3.16Å; G349-A351 PolarHBondContact O-N 2.91Å; A351-T355 WeakPolarHBondContact O-CG2 3.17Å; A351-T372 WeakPolarHBondContact O-CB 3.38Å; A351-T372 PolarHBondContact O-OG1 2.97Å; A351-Y379 HydrophobicContact CB-CD1 3.58Å; A351-Y379 HydrophobicContact CB-CD2 4.05Å; A351-Y379 HydrophobicContact CB-CE1 4.33Å; A351-Y379 HydrophobicContact CB-CG 3.42Å; A351-Y379 VanDerWaalsContact CB-CG 3.42Å; A351-I381 HydrophobicContact CB-CD1 4.16Å; A351-I381 HydrophobicContact CB-CG1 4.29Å; A351-L407 HydrophobicContact CB-CD1 4.22Å; A351-T440 HydrophobicContact CB-CG2 3.63Å
352	I	98.9	Very high	97.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-67.4	-179.3	-60.8	-59.9	0	0	0	109.3	K38 V39 V309 V312 W344 L345 G349 E350 T355 I381	K38-I352 HydrophobicContact CB-CG2 3.75Å; K38-I352 HydrophobicContact CG-CG2 4.09Å; K38-I352 VanDerWaalsContact CG-O 3.3Å; K38-I352 WeakPolarHBondContact CG-O 3.26Å; V39-I352 HydrophobicContact CG2-CG2 4.18Å; V309-I352 HydrophobicContact CG2-CD1 4.37Å; V312-I352 HydrophobicContact CB-CD1 4.41Å; V312-I352 HydrophobicContact CG1-CD1 4.34Å; V312-I352 HydrophobicContact CG1-CG2 4.49Å; V312-I352 HydrophobicContact CG2-CD1 4.5Å; V312-I352 HydrophobicContact CG2-CG2 4.14Å; W344-I352 HydrophobicContact CH2-CD1 4.21Å; W344-I352 HydrophobicContact CH2-CG1 4.22Å; W344-I352 HydrophobicContact CZ3-CD1 4.28Å; W344-I352 HydrophobicContact CZ3-CG1 4Å; L345-I352 HydrophobicContact CD2-CB 4.14Å; L345-I352 HydrophobicContact CD2-CG1 3.89Å; L345-I352 HydrophobicContact CD2-CG2 4.18Å; G349-I352 PolarHBondContact O-N 3.21Å; E350-I352 VanDerWaalsContact C-N 3.31Å; I352-T355 WeakPolarHBondContact O-CB 3.31Å; I352-T355 WeakPolarHBondContact O-CG2 3.46Å; I352-T355 PolarHBondContact O-N 2.84Å; I352-T355 PolarHBondContact O-OG1 3.11Å; I352-I381 HydrophobicContact CD1-CD1 4.07Å
353	Y	98.9	Very high	97.4	Very high	41 Å²	41	44.1 Å²	44.1	16%	0.161	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	135.1	-171.1	-55	-66	0	0	0	112.9	A37 K38 V39 G111 K113 L345 G349 T355	A37-Y353 WeakPolarHBondContact O-CD1 3.38Å; A37-Y353 WeakPolarHBondContact O-CE1 3.25Å; K38-Y353 HydrophobicContact CB-CD1 4.47Å; V39-Y353 HydrophobicContact CB-CE1 4.4Å; V39-Y353 HydrophobicContact CG2-CE1 4.07Å; G111-Y353 WeakPolarHBondContact CA-OH 3.28Å; G111-Y353 PolarHBondContact O-OH 2.94Å; K113-Y353 HydrophobicContact CD-CE1 4.31Å; K113-Y353 VanDerWaalsContact CE-CE1 3.47Å; K113-Y353 HydrophobicContact CG-CD1 4.11Å; K113-Y353 HydrophobicContact CG-CE1 3.82Å; L345-Y353 WeakPolarHBondContact CD1-OH 3Å; L345-Y353 HydrophobicContact CD2-CE2 4.35Å; G349-Y353 WeakPolarHBondContact O-CD2 3.5Å; G349-Y353 PolarHBondContact O-N 3.34Å; Y353-T355 PolarHBondContact O-N 3.13Å
354	A	98.7	Very high	97	Very high	28 Å²	28	47.4 Å²	47.4	23%	0.231	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	14.5	-177.5	0	0	0	0	0	115.3	E36	E36-A354 HydrophobicContact CB-CB 4.03Å; E36-A354 HydrophobicContact CG-CB 3.83Å; E36-A354 PolarHBondContact O-N 2.7Å
355	T	98.8	Very high	96.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.			trans	-78.9	162.3	172.3	67.8	0	0	0	0	111.3	K38 E350 A351 I352 Y353 S373 K374 Y379	K38-T355 WeakPolarHBondContact CE-O 3.38Å; K38-T355 PolarHBondContact NZ-O 2.67Å; E350-T355 WeakPolarHBondContact O-CG2 3.34Å; A351-T355 WeakPolarHBondContact O-CG2 3.17Å; I352-T355 WeakPolarHBondContact O-CB 3.31Å; I352-T355 WeakPolarHBondContact O-CG2 3.46Å; I352-T355 PolarHBondContact O-N 2.84Å; I352-T355 PolarHBondContact O-OG1 3.11Å; Y353-T355 PolarHBondContact O-N 3.13Å; T355-S373 CarbonylContact C-O 3.6Å; T355-S373 VanDerWaalsContact CA-O 3.27Å; T355-S373 WeakPolarHBondContact CA-O 3.44Å; T355-S373 WeakPolarHBondContact CB-O 3.37Å; T355-K374 HydrophobicContact CG2-CB 4.34Å; T355-Y379 HydrophobicContact CG2-CD2 4.33Å; T355-Y379 HydrophobicContact CG2-CE2 4.25Å
356	K	98.3	Very high	95.6	Very high	111 Å²	111	51.3 Å²	51.3	48%	0.483	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153	174.6	-58.9	-64.4	-175.6	173.9	0	109.7	D35 W358 S373	D35-K356 IonicContact OD2-NZ 2.84Å; D35-K356 PolarHBondContact OD2-NZ 3.33Å; K356-W358 PolarHBondContact O-N 3.13Å; K356-S373 PolarHBondContact N-O 2.65Å; K356-S373 PolarHBondContact O-N 3.27Å; K356-S373 PolarHBondContact O-OG 3.28Å
357	P	98.1	Very high	95.4	Very high	36 Å²	36	43.8 Å²	43.8	23%	0.234	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	127.3	166.2	-29.5	38.8	0	0	0	110.3	L271 A313	L271-P357 HydrophobicContact CD1-CB 3.68Å; L271-P357 HydrophobicContact CD1-CG 3.57Å; L271-P357 HydrophobicContact CD2-CB 3.92Å; L271-P357 HydrophobicContact CG-CB 4.49Å; A313-P357 WeakPolarHBondContact O-CB 3.3Å
358	W	97.1	Very high	95.3	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.076	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	170.2	170.6	-169.7	51.2	0	0	0	110.1	K356 V360 Q361 Y371 V378 I395 P396	K356-W358 PolarHBondContact O-N 3.13Å; W358-V360 HydrophobicContact CE3-CB 4.18Å; W358-V360 HydrophobicContact CZ3-CB 4.33Å; W358-V360 PolarHBondContact O-N 3.1Å; W358-V360 VanDerWaalsContact O-N 3.09Å; W358-Q361 PolarHBondContact O-NE2 3.34Å; W358-Y371 AromaticContact CE3-CD1 3.71Å; W358-Y371 HydrophobicContact CE3-CD1 3.71Å; W358-Y371 HydrophobicContact CE3-CD2 4.06Å; W358-Y371 HydrophobicContact CE3-CE1 4.35Å; W358-Y371 AromaticContact CE3-CG 3.52Å; W358-Y371 HydrophobicContact CE3-CG 3.52Å; W358-Y371 AromaticContact CZ3-CD1 3.7Å; W358-Y371 HydrophobicContact CZ3-CD1 3.7Å; W358-Y371 HydrophobicContact CZ3-CD2 4.05Å; W358-Y371 AromaticContact CZ3-CE1 3.86Å; W358-Y371 HydrophobicContact CZ3-CE1 3.86Å; W358-Y371 HydrophobicContact CZ3-CE2 4.24Å; W358-Y371 AromaticContact CZ3-CG 3.77Å; W358-Y371 HydrophobicContact CZ3-CG 3.77Å; W358-V378 HydrophobicContact CD2-CG1 3.78Å; W358-V378 HydrophobicContact CD2-CG2 4.27Å; W358-V378 HydrophobicContact CE3-CG1 4.09Å; W358-V378 HydrophobicContact CG-CG1 4.16Å; W358-V378 HydrophobicContact CG-CG2 4.35Å; W358-V378 HydrophobicContact CH2-CG1 4.24Å; W358-V378 HydrophobicContact CZ2-CB 4.46Å; W358-V378 HydrophobicContact CZ2-CG1 3.92Å; W358-V378 HydrophobicContact CZ2-CG2 3.88Å; W358-V378 HydrophobicContact CZ3-CG1 4.33Å; W358-V378 VanDerWaalsContact NE1-CG2 3.26Å; W358-I395 HydrophobicContact CH2-CG2 3.93Å; W358-I395 HydrophobicContact CZ3-CG2 3.72Å; W358-P396 HydrophobicContact CH2-CB 4.27Å; W358-P396 HydrophobicContact CH2-CG 4.06Å
359	R	94.7	Very high	95.3	Very high	114 Å²	114	42.2 Å²	42.2	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	-26.6	-177.4	70.9	168.4	-178.9	-73.7	3.1	113.7	I395 Q447	R359-I395 PolarHBondContact NH2-O 3.11Å; R359-Q447 VanDerWaalsContact CZ-O 3.29Å; R359-Q447 VanDerWaalsContact CZ-OXT 3.3Å; R359-Q447 PolarHBondContact NH1-O 2.89Å; R359-Q447 VanDerWaalsContact NH1-O 3.16Å; R359-Q447 PolarHBondContact NH1-OXT 3.11Å; R359-Q447 PolarHBondContact NH2-O 3.29Å
360	V	94.6	Very high	95.3	Very high	40 Å²	40	43.5 Å²	43.5	24%	0.242	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.7	173.6	177.7	0	0	0	0	106.5	W358 M362 Y371 I395	W358-V360 HydrophobicContact CE3-CB 4.18Å; W358-V360 HydrophobicContact CZ3-CB 4.33Å; W358-V360 PolarHBondContact O-N 3.1Å; W358-V360 VanDerWaalsContact O-N 3.09Å; V360-M362 VanDerWaalsContact CG1-O 3.29Å; V360-M362 WeakPolarHBondContact CG1-O 3.45Å; V360-Y371 VanDerWaalsContact O-CB 3.32Å; V360-Y371 WeakPolarHBondContact O-CB 3.41Å; V360-I395 HydrophobicContact CB-CG2 3.9Å; V360-I395 HydrophobicContact CG1-CG1 4.4Å; V360-I395 HydrophobicContact CG1-CG2 4.18Å; V360-I395 HydrophobicContact CG2-CG2 3.61Å
361	Q	96.2	Very high	95.3	Very high	37 Å²	37	39.5 Å²	39.5	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-34.6	-176.3	-76.5	68.1	61.4	0	0	112.7	A313 L314 W358 W370 Y371	A313-Q361 WeakPolarHBondContact O-CG 3.42Å; L314-Q361 HydrophobicContact CD2-CB 4.45Å; L314-Q361 HydrophobicContact CD2-CG 3.95Å; L314-Q361 HydrophobicContact CG-CG 4.46Å; W358-Q361 PolarHBondContact O-NE2 3.34Å; Q361-W370 HydrophobicContact CB-CZ3 4.44Å; Q361-W370 CarbonylContact O-C 3.49Å; Q361-W370 WeakPolarHBondContact O-CA 3.3Å; Q361-Y371 PolarHBondContact O-N 2.8Å
362	M	95.8	Very high	95.3	Very high	79 Å²	79	39.5 Å²	39.5	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.6	-179.1	64.3	172	-63	0	0	112.3	V360 N364 V369 W370	V360-M362 VanDerWaalsContact CG1-O 3.29Å; V360-M362 WeakPolarHBondContact CG1-O 3.45Å; M362-N364 HydrophobicContact CE-CB 4.42Å; M362-V369 CarbonylContact C-O 3.52Å; M362-V369 WeakPolarHBondContact CA-O 3.08Å; M362-V369 WeakPolarHBondContact CB-O 3.44Å; M362-W370 HydrophobicContact CB-CD2 3.92Å; M362-W370 HydrophobicContact CB-CE3 3.65Å; M362-W370 HydrophobicContact CB-CH2 4.36Å; M362-W370 HydrophobicContact CB-CZ3 3.9Å; M362-W370 HydrophobicContact CE-CZ2 4.45Å; M362-W370 HydrophobicContact CG-CE3 4.36Å; M362-W370 HydrophobicContact CG-CH2 4.3Å; M362-W370 HydrophobicContact CG-CZ3 4.09Å; M362-W370 HydrophobicContact SD-CH2 3.58Å; M362-W370 VanDerWaalsContact SD-CH2 3.58Å; M362-W370 HydrophobicContact SD-CZ2 3.87Å; M362-W370 HydrophobicContact SD-CZ3 3.98Å
363	E	94.2	Very high	95.2	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.3	159.6	73.5	-171.8	156	0	0	109.9	V369 Y371 L393 L394 I395	E363-V369 HydrophobicContact CG-CB 4.24Å; E363-V369 PolarHBondContact N-O 2.79Å; E363-V369 PolarHBondContact O-N 3.03Å; E363-Y371 HydrophobicContact CB-CE2 4.4Å; E363-Y371 HydrophobicContact CG-CE2 3.95Å; E363-Y371 PolarHBondContact OE1-OH 2.73Å; E363-L393 WeakPolarHBondContact OE1-CA 3.31Å; E363-L393 VanDerWaalsContact OE1-CB 3.28Å; E363-L393 WeakPolarHBondContact OE1-CB 3.29Å; E363-L393 VanDerWaalsContact OE1-CD2 3.3Å; E363-L393 WeakPolarHBondContact OE1-CD2 3.5Å; E363-L394 PolarHBondContact OE2-N 3.23Å; E363-I395 HydrophobicContact CB-CG1 4.04Å; E363-I395 VanDerWaalsContact OE2-CG1 3.32Å; E363-I395 WeakPolarHBondContact OE2-CG1 3.46Å; E363-I395 PolarHBondContact OE2-N 3.03Å; E363-I395 VanDerWaalsContact OE2-N 3.16Å
364	N	90	Very high	95.2	Very high	121 Å²	121	43.1 Å²	43.1	65%	0.647	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	79.3	177.9	-165.1	17.8	0	0	0	109.2	M362	M362-N364 HydrophobicContact CE-CB 4.42Å
365	G	84.9	Confident	94.9	Very high	42 Å²	42	45.7 Å²	45.7	43%	0.433	26%	0.257	S	S	.	.	S	Bend	trans	-97.7	-107.7	-179.8	0	0	0	0	0	111	V367	G365-V367 VanDerWaalsContact C-N 3.33Å
366	T	82.6	Confident	94.7	Very high	51 Å²	51	49.3 Å²	49.3	31%	0.313	29%	0.287	S	S	.	.	S	Bend	trans	-65.6	-38.4	175.8	-56.4	0	0	0	0	112.2	P386 P387	T366-P386 HydrophobicContact CG2-CB 4.43Å; T366-P387 HydrophobicContact CG2-CG 4.2Å
367	V	92.6	Very high	94.6	Very high	14 Å²	14	45 Å²	45	9%	0.085	27%	0.27	C	S	.	.	S	Bend	trans	-151.5	164.8	177.9	-74	0	0	0	0	107.9	G365 V369 V382 A384 P386 L391	G365-V367 VanDerWaalsContact C-N 3.33Å; V367-V369 HydrophobicContact CG2-CG2 4.38Å; V367-V369 PolarHBondContact O-N 3.03Å; V367-V382 HydrophobicContact CG2-CG1 3.57Å; V367-A384 HydrophobicContact CB-CB 4.25Å; V367-A384 HydrophobicContact CG1-CB 4.14Å; V367-P386 HydrophobicContact CG2-CG 4.08Å; V367-L391 HydrophobicContact CG2-CD1 3.86Å
368	P	94.4	Very high	94.6	Very high	43 Å²	43	43.5 Å²	43.5	28%	0.279	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	128.9	171.1	-23.7	35	0	0	0	111.3	T383	P368-T383 PolarHBondContact O-N 2.97Å
369	V	97.3	Very high	94.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.3	174.8	-178	0	0	0	0	109.1	M362 E363 V367 Y371 A380 I381 V382 L393	M362-V369 CarbonylContact C-O 3.52Å; M362-V369 WeakPolarHBondContact CA-O 3.08Å; M362-V369 WeakPolarHBondContact CB-O 3.44Å; E363-V369 HydrophobicContact CG-CB 4.24Å; E363-V369 PolarHBondContact N-O 2.79Å; E363-V369 PolarHBondContact O-N 3.03Å; V367-V369 HydrophobicContact CG2-CG2 4.38Å; V367-V369 PolarHBondContact O-N 3.03Å; V369-Y371 HydrophobicContact CG1-CE1 4.38Å; V369-Y371 HydrophobicContact CG1-CE2 4.11Å; V369-A380 HydrophobicContact CG1-CB 3.79Å; V369-I381 WeakPolarHBondContact CA-O 3.33Å; V369-V382 HydrophobicContact CG2-CG2 4.11Å; V369-L393 HydrophobicContact CB-CD2 4.44Å; V369-L393 HydrophobicContact CG1-CD2 4.12Å; V369-L393 HydrophobicContact CG2-CD2 3.98Å
370	W	97.9	Very high	94.8	Very high	32 Å²	32	37.2 Å²	37.2	12%	0.121	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	151.6	175.9	-67.8	95.1	0	0	0	110.9	V309 A313 L314 Q361 M362 I381	V309-W370 HydrophobicContact CG1-CB 3.39Å; V309-W370 HydrophobicContact CG1-CG 3.66Å; A313-W370 HydrophobicContact CB-CB 4.18Å; A313-W370 HydrophobicContact CB-CD2 4.35Å; A313-W370 HydrophobicContact CB-CE3 3.58Å; A313-W370 HydrophobicContact CB-CZ3 4.35Å; L314-W370 HydrophobicContact CD1-CZ3 4.46Å; L314-W370 HydrophobicContact CG-CZ3 4.47Å; Q361-W370 HydrophobicContact CB-CZ3 4.44Å; Q361-W370 CarbonylContact O-C 3.49Å; Q361-W370 WeakPolarHBondContact O-CA 3.3Å; M362-W370 HydrophobicContact CB-CD2 3.92Å; M362-W370 HydrophobicContact CB-CE3 3.65Å; M362-W370 HydrophobicContact CB-CH2 4.36Å; M362-W370 HydrophobicContact CB-CZ3 3.9Å; M362-W370 HydrophobicContact CE-CZ2 4.45Å; M362-W370 HydrophobicContact CG-CE3 4.36Å; M362-W370 HydrophobicContact CG-CH2 4.3Å; M362-W370 HydrophobicContact CG-CZ3 4.09Å; M362-W370 HydrophobicContact SD-CH2 3.58Å; M362-W370 VanDerWaalsContact SD-CH2 3.58Å; M362-W370 HydrophobicContact SD-CZ2 3.87Å; M362-W370 HydrophobicContact SD-CZ3 3.98Å; W370-I381 PolarHBondContact N-O 3.29Å; W370-I381 PolarHBondContact O-N 3.01Å
371	Y	98.2	Very high	95	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.2	-173.6	-70.2	-78.9	0	0	0	113	A313 W358 V360 Q361 E363 V369 V378 Y379 A380 P396	A313-Y371 WeakPolarHBondContact CB-O 3.35Å; W358-Y371 AromaticContact CE3-CD1 3.71Å; W358-Y371 HydrophobicContact CE3-CD1 3.71Å; W358-Y371 HydrophobicContact CE3-CD2 4.06Å; W358-Y371 HydrophobicContact CE3-CE1 4.35Å; W358-Y371 AromaticContact CE3-CG 3.52Å; W358-Y371 HydrophobicContact CE3-CG 3.52Å; W358-Y371 AromaticContact CZ3-CD1 3.7Å; W358-Y371 HydrophobicContact CZ3-CD1 3.7Å; W358-Y371 HydrophobicContact CZ3-CD2 4.05Å; W358-Y371 AromaticContact CZ3-CE1 3.86Å; W358-Y371 HydrophobicContact CZ3-CE1 3.86Å; W358-Y371 HydrophobicContact CZ3-CE2 4.24Å; W358-Y371 AromaticContact CZ3-CG 3.77Å; W358-Y371 HydrophobicContact CZ3-CG 3.77Å; V360-Y371 VanDerWaalsContact O-CB 3.32Å; V360-Y371 WeakPolarHBondContact O-CB 3.41Å; Q361-Y371 PolarHBondContact O-N 2.8Å; E363-Y371 HydrophobicContact CB-CE2 4.4Å; E363-Y371 HydrophobicContact CG-CE2 3.95Å; E363-Y371 PolarHBondContact OE1-OH 2.73Å; V369-Y371 HydrophobicContact CG1-CE1 4.38Å; V369-Y371 HydrophobicContact CG1-CE2 4.11Å; Y371-V378 HydrophobicContact CD1-CG1 3.76Å; Y371-V378 HydrophobicContact CE1-CG1 4.33Å; Y371-Y379 VanDerWaalsContact CA-O 3.32Å; Y371-Y379 WeakPolarHBondContact CA-O 3.42Å; Y371-A380 HydrophobicContact CD1-CB 4.06Å; Y371-A380 HydrophobicContact CE1-CB 3.54Å; Y371-P396 HydrophobicContact CE1-CG 4.17Å
372	T	98.6	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	167	166.8	69	0	0	0	0	109.2	V312 A351 Y379 I381	V312-T372 HydrophobicContact CG1-CG2 3.95Å; A351-T372 WeakPolarHBondContact O-CB 3.38Å; A351-T372 PolarHBondContact O-OG1 2.97Å; T372-Y379 PolarHBondContact N-O 3.44Å; T372-Y379 PolarHBondContact O-N 3.47Å; T372-I381 HydrophobicContact CG2-CD1 4.11Å
373	S	98.2	Very high	95	Very high	19 Å²	19	31 Å²	31	13%	0.133	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.3	179.6	61	0	0	0	0	112.5	T355 K356 T377	T355-S373 CarbonylContact C-O 3.6Å; T355-S373 VanDerWaalsContact CA-O 3.27Å; T355-S373 WeakPolarHBondContact CA-O 3.44Å; T355-S373 WeakPolarHBondContact CB-O 3.37Å; K356-S373 PolarHBondContact N-O 2.65Å; K356-S373 PolarHBondContact O-N 3.27Å; K356-S373 PolarHBondContact O-OG 3.28Å; S373-T377 CarbonylContact C-O 3.59Å; S373-T377 VanDerWaalsContact CA-O 3.3Å; S373-T377 WeakPolarHBondContact CA-O 3.17Å
374	K	97.3	Very high	94.9	Very high	98 Å²	98	31.8 Å²	31.8	43%	0.426	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	110.5	173.7	-168.5	175.2	-174	171.2	0	109.2	T355 A376 T377 Y379	T355-K374 HydrophobicContact CG2-CB 4.34Å; K374-A376 PolarHBondContact O-N 2.94Å; K374-T377 PolarHBondContact N-O 2.94Å; K374-T377 PolarHBondContact O-N 3.43Å; K374-Y379 HydrophobicContact CB-CE2 3.95Å
375	G	93.9	Very high	95	Very high	82 Å²	82	33 Å²	33	85%	0.845	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	-127.5	-170.4	0	0	0	0	0	110.9
376	A	92.8	Very high	95.3	Very high	76 Å²	76	31.4 Å²	31.4	63%	0.628	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.9	177.4	0	0	0	0	0	113.9	K374	K374-A376 PolarHBondContact O-N 2.94Å
377	T	97.1	Very high	95.7	Very high	21 Å²	21	34.1 Å²	34.1	13%	0.129	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.4	-179.9	-58.5	0	0	0	0	110.3	S373 K374 Y379 K442 D444	S373-T377 CarbonylContact C-O 3.59Å; S373-T377 VanDerWaalsContact CA-O 3.3Å; S373-T377 WeakPolarHBondContact CA-O 3.17Å; K374-T377 PolarHBondContact N-O 2.94Å; K374-T377 PolarHBondContact O-N 3.43Å; T377-Y379 HydrophobicContact CG2-CD1 4.45Å; T377-Y379 HydrophobicContact CG2-CE1 3.85Å; T377-Y379 HydrophobicContact CG2-CE2 3.92Å; T377-K442 HydrophobicContact CG2-CD 4.14Å; T377-K442 HydrophobicContact CG2-CG 3.59Å; T377-D444 WeakPolarHBondContact CB-OD1 3.4Å; T377-D444 WeakPolarHBondContact CG2-OD1 3.23Å; T377-D444 PolarHBondContact OG1-OD1 3.29Å
378	V	98.1	Very high	95.7	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	172.6	179.7	0	0	0	0	108.8	W358 Y371 L443 V446	W358-V378 HydrophobicContact CD2-CG1 3.78Å; W358-V378 HydrophobicContact CD2-CG2 4.27Å; W358-V378 HydrophobicContact CE3-CG1 4.09Å; W358-V378 HydrophobicContact CG-CG1 4.16Å; W358-V378 HydrophobicContact CG-CG2 4.35Å; W358-V378 HydrophobicContact CH2-CG1 4.24Å; W358-V378 HydrophobicContact CZ2-CB 4.46Å; W358-V378 HydrophobicContact CZ2-CG1 3.92Å; W358-V378 HydrophobicContact CZ2-CG2 3.88Å; W358-V378 HydrophobicContact CZ3-CG1 4.33Å; W358-V378 VanDerWaalsContact NE1-CG2 3.26Å; Y371-V378 HydrophobicContact CD1-CG1 3.76Å; Y371-V378 HydrophobicContact CE1-CG1 4.33Å; V378-L443 HydrophobicContact CB-CB 4.3Å; V378-L443 PolarHBondContact N-O 3.44Å; V378-L443 WeakPolarHBondContact O-CA 3.25Å; V378-L443 WeakPolarHBondContact O-CB 3.43Å; V378-L443 PolarHBondContact O-N 3.16Å; V378-V446 HydrophobicContact CB-CG2 3.72Å; V378-V446 HydrophobicContact CG2-CG2 3.62Å
379	Y	98.5	Very high	95.7	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.4	175.1	-56.3	-84.4	0	0	0	109.3	E350 A351 T355 Y371 T372 K374 T377 L407 T440 L441 K442	E350-Y379 HydrophobicContact CB-CE1 4.49Å; E350-Y379 HydrophobicContact CG-CE1 4.04Å; E350-Y379 WeakPolarHBondContact CG-OH 3.16Å; E350-Y379 PolarHBondContact OE1-OH 3.12Å; A351-Y379 HydrophobicContact CB-CD1 3.58Å; A351-Y379 HydrophobicContact CB-CD2 4.05Å; A351-Y379 HydrophobicContact CB-CE1 4.33Å; A351-Y379 HydrophobicContact CB-CG 3.42Å; A351-Y379 VanDerWaalsContact CB-CG 3.42Å; T355-Y379 HydrophobicContact CG2-CD2 4.33Å; T355-Y379 HydrophobicContact CG2-CE2 4.25Å; Y371-Y379 VanDerWaalsContact CA-O 3.32Å; Y371-Y379 WeakPolarHBondContact CA-O 3.42Å; T372-Y379 PolarHBondContact N-O 3.44Å; T372-Y379 PolarHBondContact O-N 3.47Å; K374-Y379 HydrophobicContact CB-CE2 3.95Å; T377-Y379 HydrophobicContact CG2-CD1 4.45Å; T377-Y379 HydrophobicContact CG2-CE1 3.85Å; T377-Y379 HydrophobicContact CG2-CE2 3.92Å; Y379-L407 HydrophobicContact CD1-CD1 4.35Å; Y379-T440 HydrophobicContact CD1-CG2 4.11Å; Y379-T440 HydrophobicContact CG-CG2 4.45Å; Y379-L441 CarbonylContact C-O 3.54Å; Y379-L441 WeakPolarHBondContact CA-O 3.25Å; Y379-K442 HydrophobicContact CD1-CB 4.19Å; Y379-K442 HydrophobicContact CD1-CG 4.43Å; Y379-K442 HydrophobicContact CE1-CB 4.16Å; Y379-K442 HydrophobicContact CE1-CD 4.16Å; Y379-K442 HydrophobicContact CE1-CG 4.01Å
380	A	98	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.8	173.1	0	0	0	0	0	108.3	V369 Y371 L393 T440 L441 L443	V369-A380 HydrophobicContact CG1-CB 3.79Å; Y371-A380 HydrophobicContact CD1-CB 4.06Å; Y371-A380 HydrophobicContact CE1-CB 3.54Å; A380-L393 HydrophobicContact CB-CD1 3.81Å; A380-T440 WeakPolarHBondContact O-CA 3.31Å; A380-L441 HydrophobicContact CB-CB 4.28Å; A380-L441 PolarHBondContact N-O 2.77Å; A380-L441 PolarHBondContact O-N 2.88Å; A380-L443 HydrophobicContact CB-CD1 4.13Å
381	I	98.1	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.3	-175.3	-51	166.2	0	0	0	108.4	V309 W344 A351 I352 V369 W370 T372 T383 T440	V309-I381 HydrophobicContact CB-CG2 4.38Å; V309-I381 HydrophobicContact CG1-CB 3.84Å; V309-I381 HydrophobicContact CG1-CD1 3.91Å; V309-I381 HydrophobicContact CG1-CG1 4.5Å; V309-I381 HydrophobicContact CG1-CG2 3.71Å; V309-I381 HydrophobicContact CG2-CD1 4.33Å; V309-I381 HydrophobicContact CG2-CG2 3.71Å; W344-I381 HydrophobicContact CH2-CG2 4.33Å; W344-I381 HydrophobicContact CZ2-CG2 4.09Å; A351-I381 HydrophobicContact CB-CD1 4.16Å; A351-I381 HydrophobicContact CB-CG1 4.29Å; I352-I381 HydrophobicContact CD1-CD1 4.07Å; V369-I381 WeakPolarHBondContact CA-O 3.33Å; W370-I381 PolarHBondContact N-O 3.29Å; W370-I381 PolarHBondContact O-N 3.01Å; T372-I381 HydrophobicContact CG2-CD1 4.11Å; I381-T383 HydrophobicContact CG2-CG2 4.45Å; I381-T440 HydrophobicContact CG1-CG2 3.92Å
382	V	96.8	Very high	95.3	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.5	-177.2	-175.9	0	0	0	0	108.5	V367 V369 A384 P386 L391 A438 W439	V367-V382 HydrophobicContact CG2-CG1 3.57Å; V369-V382 HydrophobicContact CG2-CG2 4.11Å; V382-A384 VanDerWaalsContact CG1-O 3.23Å; V382-A384 WeakPolarHBondContact CG1-O 3.46Å; V382-P386 HydrophobicContact CG1-CG 4.22Å; V382-L391 HydrophobicContact CG2-CD2 3.68Å; V382-A438 CarbonylContact O-C 3.55Å; V382-A438 WeakPolarHBondContact O-CA 3.42Å; V382-A438 WeakPolarHBondContact O-CB 3.33Å; V382-W439 WeakPolarHBondContact CB-O 3.43Å; V382-W439 PolarHBondContact N-O 2.94Å; V382-W439 PolarHBondContact O-N 3.41Å
383	T	94.5	Very high	95.1	Very high	21 Å²	21	46.6 Å²	46.6	13%	0.129	28%	0.282	C	S	.	.			trans	-100.1	6.9	-174.2	60.2	0	0	0	0	114.4	D306 V309 P368 I381 Q437 A438	D306-T383 WeakPolarHBondContact OD1-CB 3.44Å; D306-T383 WeakPolarHBondContact OD1-CG2 3.48Å; D306-T383 PolarHBondContact OD1-OG1 3.21Å; V309-T383 HydrophobicContact CB-CG2 4.29Å; V309-T383 HydrophobicContact CG1-CG2 4.04Å; P368-T383 PolarHBondContact O-N 2.97Å; I381-T383 HydrophobicContact CG2-CG2 4.45Å; T383-Q437 CarbonylContact C-O 3.31Å; T383-A438 HydrophobicContact CG2-CB 4.47Å
384	A	93.2	Very high	94.9	Very high	34 Å²	34	49.1 Å²	49.1	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-143.4	146.1	171.7	0	0	0	0	0	111.3	V367 V382 P386	V367-A384 HydrophobicContact CB-CB 4.25Å; V367-A384 HydrophobicContact CG1-CB 4.14Å; V382-A384 VanDerWaalsContact CG1-O 3.23Å; V382-A384 WeakPolarHBondContact CG1-O 3.46Å; A384-P386 VanDerWaalsContact O-CD 3.24Å; A384-P386 WeakPolarHBondContact O-CD 3.38Å
385	K	91.5	Very high	94.6	Very high	145 Å²	145	47.4 Å²	47.4	63%	0.63	29%	0.289	S	S	*	.			trans	-63.3	120.9	178.6	-172.9	175.2	179.4	176.5	0	110.4	W439	K385-W439 HydrophobicContact CB-CH2 3.92Å; K385-W439 HydrophobicContact CB-CZ3 4Å; K385-W439 HydrophobicContact CG-CH2 4.21Å
386	P	92.3	Very high	94.6	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.065	25%	0.249	C	C	.	.			trans	-60.9	140.8	175.4	-25.5	37.3	0	0	0	111.5	T366 V367 V382 A384 T388 L391 L428	T366-P386 HydrophobicContact CG2-CB 4.43Å; V367-P386 HydrophobicContact CG2-CG 4.08Å; V382-P386 HydrophobicContact CG1-CG 4.22Å; A384-P386 VanDerWaalsContact O-CD 3.24Å; A384-P386 WeakPolarHBondContact O-CD 3.38Å; P386-T388 WeakPolarHBondContact CB-O 3.39Å; P386-T388 PolarHBondContact O-N 3.04Å; P386-L391 HydrophobicContact CG-CD1 4.25Å; P386-L428 HydrophobicContact CB-CD1 4.26Å; P386-L428 HydrophobicContact CG-CD1 3.72Å
387	P	91.5	Very high	94.6	Very high	107 Å²	107	44.4 Å²	44.4	70%	0.695	24%	0.24	S	C	*	.	S	Bend	trans	-72.5	-14.9	-179.6	30	-35.4	0	0	0	113	T366	T366-P387 HydrophobicContact CG2-CG 4.2Å
388	T	91.6	Very high	94.3	Very high	82 Å²	82	44.1 Å²	44.1	50%	0.503	24%	0.238	S	C	.	.	S	Bend	trans	-132.5	167	177.3	73.1	0	0	0	0	109.9	P386 I390	P386-T388 WeakPolarHBondContact CB-O 3.39Å; P386-T388 PolarHBondContact O-N 3.04Å; T388-I390 PolarHBondContact O-N 3.42Å; T388-I390 PolarHBondContact OG1-N 3.26Å; T388-I390 PolarHBondContact OG1-O 3.03Å
389	T	93.4	Very high	93.9	Very high	86 Å²	86	46.2 Å²	46.2	53%	0.528	25%	0.253	S	S	.	.	S	Bend	trans	-74.6	-5.4	175.6	52.2	0	0	0	0	113.2	L428	T389-L428 WeakPolarHBondContact O-CB 3.47Å; T389-L428 PolarHBondContact O-N 3.06Å
390	I	94.6	Very high	93.4	Very high	80 Å²	80	51.5 Å²	51.5	41%	0.41	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.5	178.7	-59.2	177.2	0	0	0	108.8	T388 K392 V426 L427	T388-I390 PolarHBondContact O-N 3.42Å; T388-I390 PolarHBondContact OG1-N 3.26Å; T388-I390 PolarHBondContact OG1-O 3.03Å; I390-K392 HydrophobicContact CG2-CG 4.43Å; I390-V426 WeakPolarHBondContact CA-O 3.44Å; I390-L427 HydrophobicContact CG1-CD1 4.48Å
391	L	95.6	Very high	93.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.8	171.2	-179.4	66.7	0	0	0	109.7	V367 V382 P386 L393 S425 V426 L428 L441	V367-L391 HydrophobicContact CG2-CD1 3.86Å; V382-L391 HydrophobicContact CG2-CD2 3.68Å; P386-L391 HydrophobicContact CG-CD1 4.25Å; L391-L393 HydrophobicContact CD1-CD2 4.44Å; L391-L393 HydrophobicContact CD2-CD2 3.89Å; L391-L393 HydrophobicContact CD2-CG 4.49Å; L391-L393 HydrophobicContact CG-CD2 3.94Å; L391-L393 HydrophobicContact CG-CG 4.49Å; L391-S425 WeakPolarHBondContact O-CA 3.39Å; L391-V426 PolarHBondContact N-O 2.68Å; L391-V426 PolarHBondContact O-N 2.97Å; L391-L428 HydrophobicContact CB-CD1 3.8Å; L391-L428 HydrophobicContact CB-CD2 4.3Å; L391-L428 HydrophobicContact CB-CG 3.96Å; L391-L428 HydrophobicContact CD2-CD1 4.48Å; L391-L428 HydrophobicContact CD2-CD2 4.45Å; L391-L441 HydrophobicContact CD2-CD1 3.76Å
392	K	94.8	Very high	92.9	Very high	104 Å²	104	56 Å²	56	45%	0.452	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.7	174.2	-64.5	-176.7	-179.2	179.6	0	109.8	I390 L394 L424	I390-K392 HydrophobicContact CG2-CG 4.43Å; K392-L394 HydrophobicContact CB-CD2 4.49Å; K392-L424 WeakPolarHBondContact CA-O 3.31Å
393	L	95.3	Very high	92.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.8	166.8	-50.3	-177.4	0	0	0	107.8	E363 V369 A380 L391 P396 G423 L424 L441 L443	E363-L393 WeakPolarHBondContact OE1-CA 3.31Å; E363-L393 VanDerWaalsContact OE1-CB 3.28Å; E363-L393 WeakPolarHBondContact OE1-CB 3.29Å; E363-L393 VanDerWaalsContact OE1-CD2 3.3Å; E363-L393 WeakPolarHBondContact OE1-CD2 3.5Å; V369-L393 HydrophobicContact CB-CD2 4.44Å; V369-L393 HydrophobicContact CG1-CD2 4.12Å; V369-L393 HydrophobicContact CG2-CD2 3.98Å; A380-L393 HydrophobicContact CB-CD1 3.81Å; L391-L393 HydrophobicContact CD1-CD2 4.44Å; L391-L393 HydrophobicContact CD2-CD2 3.89Å; L391-L393 HydrophobicContact CD2-CG 4.49Å; L391-L393 HydrophobicContact CG-CD2 3.94Å; L391-L393 HydrophobicContact CG-CG 4.49Å; L393-P396 HydrophobicContact CB-CG 4.02Å; L393-P396 HydrophobicContact CD1-CG 4.34Å; L393-G423 CarbonylContact O-C 3.45Å; L393-G423 WeakPolarHBondContact O-CA 3.45Å; L393-L424 HydrophobicContact CB-CB 4.26Å; L393-L424 HydrophobicContact CD1-CD2 4.05Å; L393-L424 PolarHBondContact N-O 3.38Å; L393-L424 PolarHBondContact O-N 2.92Å; L393-L441 HydrophobicContact CD1-CD1 4.45Å; L393-L443 HydrophobicContact CD1-CD1 4Å
394	L	93	Very high	93	Very high	73 Å²	73	60.9 Å²	60.9	38%	0.382	34%	0.344	S	S	.	.	S	Bend	trans	-94	-24.6	-172	-58.9	-179	0	0	0	112.2	E363 K392 V418	E363-L394 PolarHBondContact OE2-N 3.23Å; K392-L394 HydrophobicContact CB-CD2 4.49Å; L394-V418 HydrophobicContact CD2-CG1 4.16Å; L394-V418 HydrophobicContact CD2-CG2 4.43Å
395	I	92.4	Very high	93.2	Very high	62 Å²	62	60.3 Å²	60.3	32%	0.318	34%	0.337	S	S	.	.	S	Bend	trans	-83.9	-40.5	-172.7	-60.7	-62.5	0	0	0	115.2	W358 R359 V360 E363 Q397	W358-I395 HydrophobicContact CH2-CG2 3.93Å; W358-I395 HydrophobicContact CZ3-CG2 3.72Å; R359-I395 PolarHBondContact NH2-O 3.11Å; V360-I395 HydrophobicContact CB-CG2 3.9Å; V360-I395 HydrophobicContact CG1-CG1 4.4Å; V360-I395 HydrophobicContact CG1-CG2 4.18Å; V360-I395 HydrophobicContact CG2-CG2 3.61Å; E363-I395 HydrophobicContact CB-CG1 4.04Å; E363-I395 VanDerWaalsContact OE2-CG1 3.32Å; E363-I395 WeakPolarHBondContact OE2-CG1 3.46Å; E363-I395 PolarHBondContact OE2-N 3.03Å; E363-I395 VanDerWaalsContact OE2-N 3.16Å; I395-Q397 PolarHBondContact O-N 2.66Å
396	P	93.4	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.3	132.9	-177.6	-24	34.8	0	0	0	112.7	W358 Y371 L393 G423 L443 V446	W358-P396 HydrophobicContact CH2-CB 4.27Å; W358-P396 HydrophobicContact CH2-CG 4.06Å; Y371-P396 HydrophobicContact CE1-CG 4.17Å; L393-P396 HydrophobicContact CB-CG 4.02Å; L393-P396 HydrophobicContact CD1-CG 4.34Å; P396-G423 WeakPolarHBondContact O-CA 3.33Å; P396-G423 PolarHBondContact O-N 3.14Å; P396-L443 HydrophobicContact CB-CD1 4.29Å; P396-L443 HydrophobicContact CG-CD1 3.96Å; P396-V446 HydrophobicContact CB-CB 4.4Å
397	Q	92.1	Very high	93.6	Very high	95 Å²	95	54 Å²	54	44%	0.444	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-92.2	122.1	174.2	-66.7	-179.6	9.5	0	0	109.4	I395 V446 Q447	I395-Q397 PolarHBondContact O-N 2.66Å; Q397-V446 CarbonylContact O-C 3.49Å; Q397-V446 VanDerWaalsContact O-CA 3.31Å; Q397-V446 WeakPolarHBondContact O-CA 3.28Å; Q397-Q447 HydrophobicContact CB-CB 4.01Å; Q397-Q447 PolarHBondContact N-O 3.2Å; Q397-Q447 PolarHBondContact O-N 3.49Å
398	T	91.4	Very high	93.7	Very high	14 Å²	14	52 Å²	52	9%	0.086	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-98.7	154.2	-171.9	57.1	0	0	0	0	111.7	T402 W415 L424	T398-T402 HydrophobicContact CG2-CG2 4.3Å; T398-W415 HydrophobicContact CG2-CE3 4.4Å; T398-W415 HydrophobicContact CG2-CH2 4.11Å; T398-W415 HydrophobicContact CG2-CZ3 3.8Å; T398-L424 HydrophobicContact CG2-CB 4.22Å; T398-L424 HydrophobicContact CG2-CD1 3.62Å
399	S	89.5	Confident	93.7	Very high	49 Å²	49	52.8 Å²	52.8	34%	0.343	30%	0.303	S	S	.	.			trans	-130.5	170.2	174.1	75.1	0	0	0	0	110.4	T401 T402 N445	S399-T401 PolarHBondContact O-N 3.28Å; S399-T401 PolarHBondContact OG-N 3.35Å; S399-T401 PolarHBondContact OG-OG1 3.31Å; S399-T402 PolarHBondContact N-OG1 3.11Å; S399-T402 WeakPolarHBondContact O-CB 3.37Å; S399-T402 PolarHBondContact O-N 2.96Å; S399-T402 PolarHBondContact O-OG1 3.05Å; S399-T402 PolarHBondContact OG-N 3.15Å; S399-T402 PolarHBondContact OG-OG1 2.8Å; S399-N445 PolarHBondContact OG-O 2.88Å
400	A	88	Confident	93.1	Very high	114 Å²	114	54.5 Å²	54.5	94%	0.942	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.8	173.2	0	0	0	0	0	113.6
401	T	92.1	Very high	93.1	Very high	85 Å²	85	54.6 Å²	54.6	52%	0.521	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	1.2	179.4	66	0	0	0	0	113.7	S399 K403 N445	S399-T401 PolarHBondContact O-N 3.28Å; S399-T401 PolarHBondContact OG-N 3.35Å; S399-T401 PolarHBondContact OG-OG1 3.31Å; T401-K403 PolarHBondContact O-N 3.18Å; T401-N445 PolarHBondContact O-ND2 3.48Å
402	T	93.8	Very high	93.1	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.055	35%	0.352	C	S	.	.			trans	-63.1	130.9	-179.8	-66.7	0	0	0	0	111	T398 S399 V404 W415 D444 N445 V446	T398-T402 HydrophobicContact CG2-CG2 4.3Å; S399-T402 PolarHBondContact N-OG1 3.11Å; S399-T402 WeakPolarHBondContact O-CB 3.37Å; S399-T402 PolarHBondContact O-N 2.96Å; S399-T402 PolarHBondContact O-OG1 3.05Å; S399-T402 PolarHBondContact OG-N 3.15Å; S399-T402 PolarHBondContact OG-OG1 2.8Å; T402-V404 HydrophobicContact CG2-CG2 4.26Å; T402-W415 HydrophobicContact CG2-CH2 4.31Å; T402-W415 HydrophobicContact CG2-CZ2 3.78Å; T402-W415 PolarHBondContact O-NE1 3.21Å; T402-D444 WeakPolarHBondContact CA-O 3.23Å; T402-N445 PolarHBondContact OG1-O 3.24Å; T402-V446 HydrophobicContact CG2-CG1 3.51Å
403	K	95.9	Very high	93.2	Very high	127 Å²	127	55.1 Å²	55.1	55%	0.552	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.2	174.2	-64.2	-179.8	-178.6	178.1	0	109.5	T401 D444	T401-K403 PolarHBondContact O-N 3.18Å; K403-D444 HydrophobicContact CB-CB 4.35Å; K403-D444 PolarHBondContact N-O 3.31Å; K403-D444 PolarHBondContact O-N 2.94Å
404	V	97.3	Very high	93.2	Very high	1 Å²	1	59 Å²	59	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.4	-179.9	-176.3	0	0	0	0	107.4	T402 P412 L413 W415 L424 V426 L441 K442 L443	T402-V404 HydrophobicContact CG2-CG2 4.26Å; V404-P412 CarbonylContact O-C 3.52Å; V404-P412 WeakPolarHBondContact O-CA 3.25Å; V404-L413 HydrophobicContact CB-CB 4.49Å; V404-L413 HydrophobicContact CG1-CB 4.24Å; V404-L413 HydrophobicContact CG1-CD1 4.42Å; V404-L413 PolarHBondContact O-N 3.16Å; V404-W415 HydrophobicContact CG2-CB 4.34Å; V404-W415 VanDerWaalsContact CG2-CD1 3.42Å; V404-W415 HydrophobicContact CG2-CD2 4.48Å; V404-W415 HydrophobicContact CG2-CG 3.85Å; V404-L424 HydrophobicContact CG1-CD2 4.41Å; V404-L424 HydrophobicContact CG2-CD1 3.96Å; V404-L424 HydrophobicContact CG2-CD2 3.74Å; V404-L424 HydrophobicContact CG2-CG 4.42Å; V404-V426 HydrophobicContact CG1-CG1 3.96Å; V404-V426 HydrophobicContact CG1-CG2 4.04Å; V404-L441 HydrophobicContact CG1-CD1 4.5Å; V404-K442 WeakPolarHBondContact CA-O 3.35Å; V404-L443 HydrophobicContact CB-CD2 4.37Å; V404-L443 HydrophobicContact CG1-CD2 3.84Å; V404-L443 HydrophobicContact CG2-CD2 4.06Å
405	T	97.4	Very high	93.4	Very high	23 Å²	23	59.1 Å²	59.1	14%	0.141	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.8	174.9	51.6	0	0	0	0	109.8	L441 K442	T405-L441 CarbonylContact O-C 3.56Å; T405-L441 VanDerWaalsContact O-CA 3.31Å; T405-L441 WeakPolarHBondContact O-CA 3.42Å; T405-K442 PolarHBondContact N-O 3.06Å; T405-K442 PolarHBondContact O-N 3.15Å; T405-K442 WeakPolarHBondContact OG1-CB 3.36Å
406	L	97.2	Very high	93.4	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.5	171.4	175.9	67.7	0	0	0	107.7	G408 R409 L413 P429 L431 W439 L441	L406-G408 PolarHBondContact O-N 3Å; L406-R409 HydrophobicContact CB-CB 4.44Å; L406-R409 CarbonylContact O-C 3.51Å; L406-R409 WeakPolarHBondContact O-CA 3.45Å; L406-R409 PolarHBondContact O-N 2.98Å; L406-L413 HydrophobicContact CB-CD1 4.18Å; L406-P429 HydrophobicContact CD2-CG 4.03Å; L406-L431 HydrophobicContact CD2-CD2 4.28Å; L406-W439 HydrophobicContact CD1-CB 4.09Å; L406-L441 HydrophobicContact CB-CD2 4.24Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å
407	L	96.1	Very high	93.3	Very high	18 Å²	18	62 Å²	62	9%	0.094	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.8	175.6	-65.2	-170	0	0	0	110.5	T347 E350 A351 Y379 R409 T440 K442	T347-L407 HydrophobicContact CG2-CB 4.44Å; E350-L407 HydrophobicContact CB-CD1 4.31Å; A351-L407 HydrophobicContact CB-CD1 4.22Å; Y379-L407 HydrophobicContact CD1-CD1 4.35Å; L407-R409 VanDerWaalsContact C-N 3.3Å; L407-T440 HydrophobicContact CD1-CG2 3.76Å; L407-T440 HydrophobicContact CG-CG2 4.14Å; L407-T440 PolarHBondContact N-O 2.92Å; L407-K442 HydrophobicContact CD2-CB 3.9Å; L407-K442 HydrophobicContact CD2-CD 4.21Å
408	G	93	Very high	93.2	Very high	67 Å²	67	59.6 Å²	59.6	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-4.8	-168.4	0	0	0	0	0	115.1	L406	L406-G408 PolarHBondContact O-N 3Å
409	R	91.5	Very high	92.8	Very high	97 Å²	97	65.3 Å²	65.3	37%	0.366	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	107.2	171.7	-68.5	-167.6	-179.9	164.8	3.9	111.3	L406 L407 S411 E430	L406-R409 HydrophobicContact CB-CB 4.44Å; L406-R409 CarbonylContact O-C 3.51Å; L406-R409 WeakPolarHBondContact O-CA 3.45Å; L406-R409 PolarHBondContact O-N 2.98Å; L407-R409 VanDerWaalsContact C-N 3.3Å; R409-S411 PolarHBondContact O-N 3.24Å; R409-E430 PolarHBondContact NH1-O 3.46Å; R409-E430 PolarHBondContact NH2-O 3.4Å
410	P	81.6	Confident	92.1	Very high	122 Å²	122	68.7 Å²	68.7	79%	0.792	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	-15.8	-173.1	28.4	-35	0	0	0	114.2
411	S	92.9	Very high	91.1	Very high	83 Å²	83	69.4 Å²	69.4	58%	0.58	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.8	-178.9	-58.3	0	0	0	0	111.7	R409	R409-S411 PolarHBondContact O-N 3.24Å
412	P	95.3	Very high	90.6	Very high	95 Å²	95	66.6 Å²	66.6	62%	0.617	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	140.1	174.2	-24.9	34.5	0	0	0	112.4	V404	V404-P412 CarbonylContact O-C 3.52Å; V404-P412 WeakPolarHBondContact O-CA 3.25Å
413	L	96.8	Very high	90.3	Very high	20 Å²	20	66.2 Å²	66.2	11%	0.105	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-89.7	140.2	175.1	-62	-175	0	0	0	110.9	V404 L406 V426 L428 P429 L441	V404-L413 HydrophobicContact CB-CB 4.49Å; V404-L413 HydrophobicContact CG1-CB 4.24Å; V404-L413 HydrophobicContact CG1-CD1 4.42Å; V404-L413 PolarHBondContact O-N 3.16Å; L406-L413 HydrophobicContact CB-CD1 4.18Å; L413-V426 HydrophobicContact CB-CG1 3.93Å; L413-V426 HydrophobicContact CD1-CG1 3.74Å; L413-L428 HydrophobicContact CD1-CD2 4.45Å; L413-P429 HydrophobicContact CD2-CG 4.15Å; L413-L441 HydrophobicContact CD1-CD2 3.78Å
414	P	96.6	Very high	90.2	Very high	82 Å²	82	60.1 Å²	60.1	53%	0.532	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-62.7	137.4	169.7	-18.6	31.6	0	0	0	110.9	L427	P414-L427 HydrophobicContact CB-CB 4.27Å; P414-L427 HydrophobicContact CG-CD2 4.43Å; P414-L427 PolarHBondContact O-N 2.76Å
415	W	96.1	Very high	90.1	Very high	75 Å²	75	61.4 Å²	61.4	28%	0.284	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.8	175.6	67.6	-92	0	0	0	111.5	T398 T402 V404 P417 L424 S425 V426	T398-W415 HydrophobicContact CG2-CE3 4.4Å; T398-W415 HydrophobicContact CG2-CH2 4.11Å; T398-W415 HydrophobicContact CG2-CZ3 3.8Å; T402-W415 HydrophobicContact CG2-CH2 4.31Å; T402-W415 HydrophobicContact CG2-CZ2 3.78Å; T402-W415 PolarHBondContact O-NE1 3.21Å; V404-W415 HydrophobicContact CG2-CB 4.34Å; V404-W415 VanDerWaalsContact CG2-CD1 3.42Å; V404-W415 HydrophobicContact CG2-CD2 4.48Å; V404-W415 HydrophobicContact CG2-CG 3.85Å; W415-P417 HydrophobicContact CZ3-CB 4.35Å; W415-L424 HydrophobicContact CB-CD1 3.72Å; W415-L424 HydrophobicContact CB-CG 4.23Å; W415-L424 HydrophobicContact CD2-CD1 3.3Å; W415-L424 HydrophobicContact CE3-CD1 3.17Å; W415-L424 HydrophobicContact CE3-CG 4.46Å; W415-L424 HydrophobicContact CG-CD1 3.56Å; W415-L424 HydrophobicContact CZ3-CD1 3.88Å; W415-S425 CarbonylContact C-O 3.43Å; W415-S425 WeakPolarHBondContact CA-O 3.08Å; W415-S425 WeakPolarHBondContact CB-O 3.44Å; W415-V426 HydrophobicContact CB-CG2 4.37Å
416	A	93.9	Very high	90	Very high	51 Å²	51	60.3 Å²	60.3	42%	0.421	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.9	171.2	0	0	0	0	0	110.3	S425	A416-S425 PolarHBondContact N-O 3.02Å; A416-S425 PolarHBondContact O-N 2.84Å
417	P	91.4	Very high	90	Very high	71 Å²	71	64.3 Å²	64.3	46%	0.461	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.8	176.1	28.1	-34.2	0	0	0	110.8	W415 Y419 G423	W415-P417 HydrophobicContact CZ3-CB 4.35Å; P417-Y419 WeakPolarHBondContact CB-O 3.38Å; P417-G423 WeakPolarHBondContact CA-O 3.22Å
418	V	88.3	Confident	89.9	Confident	46 Å²	46	64 Å²	64	28%	0.279	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-41.1	176.6	178.1	0	0	0	0	110.6	L394 A422 G423 S425	L394-V418 HydrophobicContact CD2-CG1 4.16Å; L394-V418 HydrophobicContact CD2-CG2 4.43Å; V418-A422 PolarHBondContact N-O 2.97Å; V418-G423 PolarHBondContact N-O 3.27Å; V418-S425 WeakPolarHBondContact CG2-OG 3.45Å
419	Y	84.4	Confident	90	Very high	133 Å²	133	62.7 Å²	62.7	52%	0.522	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	164	176.7	-52.5	-71.3	0	0	0	109.5	P417 N421 A422	P417-Y419 WeakPolarHBondContact CB-O 3.38Å; Y419-N421 PolarHBondContact O-N 3.43Å; Y419-A422 HydrophobicContact CD2-CB 4.41Å; Y419-A422 PolarHBondContact N-O 2.81Å; Y419-A422 PolarHBondContact O-N 2.82Å; Y419-A422 VanDerWaalsContact O-N 3.15Å; Y419-A422 VanDerWaalsContact O-O 3.11Å
420	P	73.8	Confident	90	Very high	121 Å²	121	66.3 Å²	66.3	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	111.1	169.9	-24	34.5	0	0	0	110.7	A422	P420-A422 VanDerWaalsContact C-N 3.32Å; P420-A422 PolarHBondContact O-N 3.47Å
421	N	68.3	Low	90.4	Very high	128 Å²	128	62 Å²	62	68%	0.684	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	18.8	-179.4	-48.5	-39.1	0	0	0	116.7	Y419	Y419-N421 PolarHBondContact O-N 3.43Å
422	A	80.1	Confident	90.2	Very high	27 Å²	27	60.7 Å²	60.7	22%	0.223	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	149.5	177.2	0	0	0	0	0	113.3	V418 Y419 P420	V418-A422 PolarHBondContact N-O 2.97Å; Y419-A422 HydrophobicContact CD2-CB 4.41Å; Y419-A422 PolarHBondContact N-O 2.81Å; Y419-A422 PolarHBondContact O-N 2.82Å; Y419-A422 VanDerWaalsContact O-N 3.15Å; Y419-A422 VanDerWaalsContact O-O 3.11Å; P420-A422 VanDerWaalsContact C-N 3.32Å; P420-A422 PolarHBondContact O-N 3.47Å
423	G	88.8	Confident	89.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.7	161.9	-177.3	0	0	0	0	0	113.3	L393 P396 P417 V418	L393-G423 CarbonylContact O-C 3.45Å; L393-G423 WeakPolarHBondContact O-CA 3.45Å; P396-G423 WeakPolarHBondContact O-CA 3.33Å; P396-G423 PolarHBondContact O-N 3.14Å; P417-G423 WeakPolarHBondContact CA-O 3.22Å; V418-G423 PolarHBondContact N-O 3.27Å
424	L	93	Very high	89.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.6	-172.5	-172.3	80.5	0	0	0	109.1	K392 L393 T398 V404 W415 V426 L443	K392-L424 WeakPolarHBondContact CA-O 3.31Å; L393-L424 HydrophobicContact CB-CB 4.26Å; L393-L424 HydrophobicContact CD1-CD2 4.05Å; L393-L424 PolarHBondContact N-O 3.38Å; L393-L424 PolarHBondContact O-N 2.92Å; T398-L424 HydrophobicContact CG2-CB 4.22Å; T398-L424 HydrophobicContact CG2-CD1 3.62Å; V404-L424 HydrophobicContact CG1-CD2 4.41Å; V404-L424 HydrophobicContact CG2-CD1 3.96Å; V404-L424 HydrophobicContact CG2-CD2 3.74Å; V404-L424 HydrophobicContact CG2-CG 4.42Å; W415-L424 HydrophobicContact CB-CD1 3.72Å; W415-L424 HydrophobicContact CB-CG 4.23Å; W415-L424 HydrophobicContact CD2-CD1 3.3Å; W415-L424 HydrophobicContact CE3-CD1 3.17Å; W415-L424 HydrophobicContact CE3-CG 4.46Å; W415-L424 HydrophobicContact CG-CD1 3.56Å; W415-L424 HydrophobicContact CZ3-CD1 3.88Å; L424-V426 HydrophobicContact CD2-CG2 3.23Å; L424-V426 HydrophobicContact CG-CG2 3.5Å; L424-V426 VanDerWaalsContact CG-CG2 3.5Å; L424-L443 HydrophobicContact CD2-CD2 3.82Å
425	S	94.6	Very high	88.3	Confident	28 Å²	28	63.8 Å²	63.8	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.9	164.6	-66.1	0	0	0	0	108.4	L391 W415 A416 V418	L391-S425 WeakPolarHBondContact O-CA 3.39Å; W415-S425 CarbonylContact C-O 3.43Å; W415-S425 WeakPolarHBondContact CA-O 3.08Å; W415-S425 WeakPolarHBondContact CB-O 3.44Å; A416-S425 PolarHBondContact N-O 3.02Å; A416-S425 PolarHBondContact O-N 2.84Å; V418-S425 WeakPolarHBondContact CG2-OG 3.45Å
426	V	96.4	Very high	87.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130	-179.1	-172.6	0	0	0	0	109.5	I390 L391 V404 L413 W415 L424 L428 L441	I390-V426 WeakPolarHBondContact CA-O 3.44Å; L391-V426 PolarHBondContact N-O 2.68Å; L391-V426 PolarHBondContact O-N 2.97Å; V404-V426 HydrophobicContact CG1-CG1 3.96Å; V404-V426 HydrophobicContact CG1-CG2 4.04Å; L413-V426 HydrophobicContact CB-CG1 3.93Å; L413-V426 HydrophobicContact CD1-CG1 3.74Å; W415-V426 HydrophobicContact CB-CG2 4.37Å; L424-V426 HydrophobicContact CD2-CG2 3.23Å; L424-V426 HydrophobicContact CG-CG2 3.5Å; L424-V426 VanDerWaalsContact CG-CG2 3.5Å; V426-L428 HydrophobicContact CG1-CD2 4.17Å; V426-L428 PolarHBondContact O-N 3.37Å; V426-L441 HydrophobicContact CB-CD1 4.4Å; V426-L441 HydrophobicContact CG1-CD1 4.3Å; V426-L441 HydrophobicContact CG2-CD1 4.11Å
427	L	96.6	Very high	87.5	Confident	87 Å²	87	62.9 Å²	62.9	46%	0.455	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	102.7	167.2	-178.1	62.6	0	0	0	108.6	I390 P414	I390-L427 HydrophobicContact CG1-CD1 4.48Å; P414-L427 HydrophobicContact CB-CB 4.27Å; P414-L427 HydrophobicContact CG-CD2 4.43Å; P414-L427 PolarHBondContact O-N 2.76Å
428	L	95.3	Very high	87.8	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.063	32%	0.315	C	S	.	.			trans	-71.8	139.7	176.8	-62.8	-179.3	0	0	0	110.5	P386 T389 L391 L413 V426 L431 L441	P386-L428 HydrophobicContact CB-CD1 4.26Å; P386-L428 HydrophobicContact CG-CD1 3.72Å; T389-L428 WeakPolarHBondContact O-CB 3.47Å; T389-L428 PolarHBondContact O-N 3.06Å; L391-L428 HydrophobicContact CB-CD1 3.8Å; L391-L428 HydrophobicContact CB-CD2 4.3Å; L391-L428 HydrophobicContact CB-CG 3.96Å; L391-L428 HydrophobicContact CD2-CD1 4.48Å; L391-L428 HydrophobicContact CD2-CD2 4.45Å; L413-L428 HydrophobicContact CD1-CD2 4.45Å; V426-L428 HydrophobicContact CG1-CD2 4.17Å; V426-L428 PolarHBondContact O-N 3.37Å; L428-L431 HydrophobicContact CD1-CD1 4.35Å; L428-L441 HydrophobicContact CD2-CD1 4.3Å; L428-L441 HydrophobicContact CD2-CD2 4.12Å
429	P	93.4	Very high	88.2	Confident	38 Å²	38	58.4 Å²	58.4	25%	0.247	31%	0.306	C	S	.	.			trans	-73.6	-179.2	168.4	36.5	-36.2	0	0	0	109.5	L406 L413 L431	L406-P429 HydrophobicContact CD2-CG 4.03Å; L413-P429 HydrophobicContact CD2-CG 4.15Å; P429-L431 PolarHBondContact O-N 2.82Å
430	E	91.6	Very high	88.8	Confident	174 Å²	174	52 Å²	52	81%	0.813	28%	0.281	S	S	*	.			trans	-58	115.7	161.8	-173	176.3	-173.5	0	0	109.1	R409	R409-E430 PolarHBondContact NH1-O 3.46Å; R409-E430 PolarHBondContact NH2-O 3.4Å
431	L	91.7	Very high	89.9	Confident	31 Å²	31	46.4 Å²	46.4	16%	0.162	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.9	128.5	-176.6	-68.3	178	0	0	0	109.4	L406 L428 P429 W439	L406-L431 HydrophobicContact CD2-CD2 4.28Å; L428-L431 HydrophobicContact CD1-CD1 4.35Å; P429-L431 PolarHBondContact O-N 2.82Å; L431-W439 HydrophobicContact CB-CD2 4.37Å; L431-W439 HydrophobicContact CB-CZ2 3.99Å; L431-W439 HydrophobicContact CD1-CD2 3.89Å; L431-W439 HydrophobicContact CD1-CE3 3.97Å; L431-W439 HydrophobicContact CD1-CG 4.47Å; L431-W439 HydrophobicContact CD1-CH2 4.31Å; L431-W439 HydrophobicContact CD1-CZ2 4.22Å; L431-W439 HydrophobicContact CD1-CZ3 4.18Å; L431-W439 HydrophobicContact CD2-CD2 4.42Å; L431-W439 HydrophobicContact CD2-CG 4.17Å; L431-W439 HydrophobicContact CG-CD2 4.47Å
432	P	88.1	Confident	91.3	Very high	55 Å²	55	42.3 Å²	42.3	36%	0.357	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-62.1	146.6	177.3	27.6	-33.9	0	0	0	110	T434 W439	P432-T434 PolarHBondContact O-N 3.04Å; P432-W439 PolarHBondContact O-NE1 2.82Å
433	F	86.7	Confident	92.2	Very high	184 Å²	184	41 Å²	41	81%	0.807	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-59.2	133	169.9	176.5	-99.3	0	0	0	109.4	P435	F433-P435 HydrophobicContact CE1-CG 4.04Å
434	T	85.9	Confident	92.5	Very high	15 Å²	15	42.7 Å²	42.7	9%	0.092	22%	0.219	C	C	.	.			trans	-136.6	128.1	174.2	162.5	0	0	0	0	106.6	P432 G436 Q437 A438 W439	P432-T434 PolarHBondContact O-N 3.04Å; T434-G436 PolarHBondContact O-N 3.07Å; T434-G436 PolarHBondContact OG1-N 3.09Å; T434-Q437 PolarHBondContact O-N 3.49Å; T434-A438 WeakPolarHBondContact CG2-O 3.4Å; T434-W439 HydrophobicContact CG2-CD2 4.07Å; T434-W439 HydrophobicContact CG2-CG 4.46Å; T434-W439 HydrophobicContact CG2-CH2 4.31Å; T434-W439 HydrophobicContact CG2-CZ2 3.54Å
435	P	75.8	Confident	92.4	Very high	64 Å²	64	46.4 Å²	46.4	42%	0.416	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.8	178.5	-31.2	38.3	0	0	0	114	L301 F433	L301-P435 HydrophobicContact CD2-CB 3.32Å; F433-P435 HydrophobicContact CE1-CG 4.04Å
436	G	82.9	Confident	92.2	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.3	177	0	0	0	0	0	116.5	I305 T434 A438	I305-G436 VanDerWaalsContact CD1-CA 3.42Å; T434-G436 PolarHBondContact O-N 3.07Å; T434-G436 PolarHBondContact OG1-N 3.09Å; G436-A438 PolarHBondContact O-N 3.25Å; G436-A438 VanDerWaalsContact O-N 3.14Å
437	Q	91	Very high	91.3	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	27%	0.268	S	S	.	.			trans	50.2	34.8	-171.8	-57.3	-172.3	50.5	0	0	113.8	T383 T434 W439	T383-Q437 CarbonylContact C-O 3.31Å; T434-Q437 PolarHBondContact O-N 3.49Å; Q437-W439 HydrophobicContact CB-CH2 4.29Å; Q437-W439 WeakPolarHBondContact O-CZ3 3.49Å
438	A	96.1	Very high	91.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	26%	0.259	C	S	.	.			trans	-131.4	139.4	-179.1	0	0	0	0	0	112.1	I305 W344 V382 T383 T434 G436	I305-A438 HydrophobicContact CG2-CB 3.75Å; W344-A438 HydrophobicContact CZ2-CB 4.26Å; W344-A438 PolarHBondContact NE1-O 3.15Å; V382-A438 CarbonylContact O-C 3.55Å; V382-A438 WeakPolarHBondContact O-CA 3.42Å; V382-A438 WeakPolarHBondContact O-CB 3.33Å; T383-A438 HydrophobicContact CG2-CB 4.47Å; T434-A438 WeakPolarHBondContact CG2-O 3.4Å; G436-A438 PolarHBondContact O-N 3.25Å; G436-A438 VanDerWaalsContact O-N 3.14Å
439	W	97.1	Very high	90.8	Very high	22 Å²	22	53.7 Å²	53.7	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.7	-175	-58.5	-90.7	0	0	0	111.2	V382 K385 L406 L431 P432 T434 Q437	V382-W439 WeakPolarHBondContact CB-O 3.43Å; V382-W439 PolarHBondContact N-O 2.94Å; V382-W439 PolarHBondContact O-N 3.41Å; K385-W439 HydrophobicContact CB-CH2 3.92Å; K385-W439 HydrophobicContact CB-CZ3 4Å; K385-W439 HydrophobicContact CG-CH2 4.21Å; L406-W439 HydrophobicContact CD1-CB 4.09Å; L431-W439 HydrophobicContact CB-CD2 4.37Å; L431-W439 HydrophobicContact CB-CZ2 3.99Å; L431-W439 HydrophobicContact CD1-CD2 3.89Å; L431-W439 HydrophobicContact CD1-CE3 3.97Å; L431-W439 HydrophobicContact CD1-CG 4.47Å; L431-W439 HydrophobicContact CD1-CH2 4.31Å; L431-W439 HydrophobicContact CD1-CZ2 4.22Å; L431-W439 HydrophobicContact CD1-CZ3 4.18Å; L431-W439 HydrophobicContact CD2-CD2 4.42Å; L431-W439 HydrophobicContact CD2-CG 4.17Å; L431-W439 HydrophobicContact CG-CD2 4.47Å; P432-W439 PolarHBondContact O-NE1 2.82Å; T434-W439 HydrophobicContact CG2-CD2 4.07Å; T434-W439 HydrophobicContact CG2-CG 4.46Å; T434-W439 HydrophobicContact CG2-CH2 4.31Å; T434-W439 HydrophobicContact CG2-CZ2 3.54Å; Q437-W439 HydrophobicContact CB-CH2 4.29Å; Q437-W439 WeakPolarHBondContact O-CZ3 3.49Å
440	T	97.6	Very high	90.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.9	-178	-52	0	0	0	0	112.5	N348 A351 Y379 A380 I381 L407	N348-T440 VanDerWaalsContact OD1-CB 3.27Å; N348-T440 WeakPolarHBondContact OD1-CB 3.26Å; N348-T440 PolarHBondContact OD1-N 3.26Å; N348-T440 PolarHBondContact OD1-OG1 3.34Å; A351-T440 HydrophobicContact CB-CG2 3.63Å; Y379-T440 HydrophobicContact CD1-CG2 4.11Å; Y379-T440 HydrophobicContact CG-CG2 4.45Å; A380-T440 WeakPolarHBondContact O-CA 3.31Å; I381-T440 HydrophobicContact CG1-CG2 3.92Å; L407-T440 HydrophobicContact CD1-CG2 3.76Å; L407-T440 HydrophobicContact CG-CG2 4.14Å; L407-T440 PolarHBondContact N-O 2.92Å
441	L	97.7	Very high	90.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.9	165.1	-57.8	-177.7	0	0	0	109.8	Y379 A380 L391 L393 V404 T405 L406 L413 V426 L428 L443	Y379-L441 CarbonylContact C-O 3.54Å; Y379-L441 WeakPolarHBondContact CA-O 3.25Å; A380-L441 HydrophobicContact CB-CB 4.28Å; A380-L441 PolarHBondContact N-O 2.77Å; A380-L441 PolarHBondContact O-N 2.88Å; L391-L441 HydrophobicContact CD2-CD1 3.76Å; L393-L441 HydrophobicContact CD1-CD1 4.45Å; V404-L441 HydrophobicContact CG1-CD1 4.5Å; T405-L441 CarbonylContact O-C 3.56Å; T405-L441 VanDerWaalsContact O-CA 3.31Å; T405-L441 WeakPolarHBondContact O-CA 3.42Å; L406-L441 HydrophobicContact CB-CD2 4.24Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å; L413-L441 HydrophobicContact CD1-CD2 3.78Å; V426-L441 HydrophobicContact CB-CD1 4.4Å; V426-L441 HydrophobicContact CG1-CD1 4.3Å; V426-L441 HydrophobicContact CG2-CD1 4.11Å; L428-L441 HydrophobicContact CD2-CD1 4.3Å; L428-L441 HydrophobicContact CD2-CD2 4.12Å; L441-L443 HydrophobicContact CB-CD2 4.1Å
442	K	97.9	Very high	90.6	Very high	42 Å²	42	48.6 Å²	48.6	18%	0.183	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.4	169.5	172.9	174.7	179.2	159.2	0	109	E350 T377 Y379 V404 T405 L407 D444	E350-K442 IonicContact OE1-NZ 3.32Å; E350-K442 PolarHBondContact OE1-NZ 3.2Å; E350-K442 IonicContact OE2-NZ 2.72Å; T377-K442 HydrophobicContact CG2-CD 4.14Å; T377-K442 HydrophobicContact CG2-CG 3.59Å; Y379-K442 HydrophobicContact CD1-CB 4.19Å; Y379-K442 HydrophobicContact CD1-CG 4.43Å; Y379-K442 HydrophobicContact CE1-CB 4.16Å; Y379-K442 HydrophobicContact CE1-CD 4.16Å; Y379-K442 HydrophobicContact CE1-CG 4.01Å; V404-K442 WeakPolarHBondContact CA-O 3.35Å; T405-K442 PolarHBondContact N-O 3.06Å; T405-K442 PolarHBondContact O-N 3.15Å; T405-K442 WeakPolarHBondContact OG1-CB 3.36Å; L407-K442 HydrophobicContact CD2-CB 3.9Å; L407-K442 HydrophobicContact CD2-CD 4.21Å; K442-D444 WeakPolarHBondContact CE-OD1 3.43Å; K442-D444 WeakPolarHBondContact CE-OD2 3.38Å
443	L	97.2	Very high	90.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.2	-177.1	-46.8	-179.3	0	0	0	108.7	V378 A380 L393 P396 V404 L424 L441 V446	V378-L443 HydrophobicContact CB-CB 4.3Å; V378-L443 PolarHBondContact N-O 3.44Å; V378-L443 WeakPolarHBondContact O-CA 3.25Å; V378-L443 WeakPolarHBondContact O-CB 3.43Å; V378-L443 PolarHBondContact O-N 3.16Å; A380-L443 HydrophobicContact CB-CD1 4.13Å; L393-L443 HydrophobicContact CD1-CD1 4Å; P396-L443 HydrophobicContact CB-CD1 4.29Å; P396-L443 HydrophobicContact CG-CD1 3.96Å; V404-L443 HydrophobicContact CB-CD2 4.37Å; V404-L443 HydrophobicContact CG1-CD2 3.84Å; V404-L443 HydrophobicContact CG2-CD2 4.06Å; L424-L443 HydrophobicContact CD2-CD2 3.82Å; L441-L443 HydrophobicContact CB-CD2 4.1Å; L443-V446 HydrophobicContact CB-CB 4.46Å; L443-V446 HydrophobicContact CB-CG1 3.95Å; L443-V446 HydrophobicContact CB-CG2 3.62Å; L443-V446 HydrophobicContact CD1-CG2 4.43Å
444	D	96.1	Very high	91	Very high	36 Å²	36	38.5 Å²	38.5	19%	0.193	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.4	175.5	-63.9	-49.6	0	0	0	110.2	T377 T402 K403 K442 V446	T377-D444 WeakPolarHBondContact CB-OD1 3.4Å; T377-D444 WeakPolarHBondContact CG2-OD1 3.23Å; T377-D444 PolarHBondContact OG1-OD1 3.29Å; T402-D444 WeakPolarHBondContact CA-O 3.23Å; K403-D444 HydrophobicContact CB-CB 4.35Å; K403-D444 PolarHBondContact N-O 3.31Å; K403-D444 PolarHBondContact O-N 2.94Å; K442-D444 WeakPolarHBondContact CE-OD1 3.43Å; K442-D444 WeakPolarHBondContact CE-OD2 3.38Å; D444-V446 VanDerWaalsContact C-N 3.28Å; D444-V446 PolarHBondContact O-N 2.89Å
445	N	91.4	Very high	91.4	Very high	78 Å²	78	40.3 Å²	40.3	42%	0.417	20%	0.203	S	C	.	.	S	Bend	trans	56.4	41.1	-178.6	-48.4	-47	0	0	0	112.7	S399 T401 T402	S399-N445 PolarHBondContact OG-O 2.88Å; T401-N445 PolarHBondContact O-ND2 3.48Å; T402-N445 PolarHBondContact OG1-O 3.24Å
446	V	88.9	Confident	92.7	Very high	11 Å²	11	38.3 Å²	38.3	7%	0.067	19%	0.185	C	C	.	.			trans	-104.9	138.1	166.5	-64.4	0	0	0	0	108.9	V378 P396 Q397 T402 L443 D444	V378-V446 HydrophobicContact CB-CG2 3.72Å; V378-V446 HydrophobicContact CG2-CG2 3.62Å; P396-V446 HydrophobicContact CB-CB 4.4Å; Q397-V446 CarbonylContact O-C 3.49Å; Q397-V446 VanDerWaalsContact O-CA 3.31Å; Q397-V446 WeakPolarHBondContact O-CA 3.28Å; T402-V446 HydrophobicContact CG2-CG1 3.51Å; L443-V446 HydrophobicContact CB-CB 4.46Å; L443-V446 HydrophobicContact CB-CG1 3.95Å; L443-V446 HydrophobicContact CB-CG2 3.62Å; L443-V446 HydrophobicContact CD1-CG2 4.43Å; D444-V446 VanDerWaalsContact C-N 3.28Å; D444-V446 PolarHBondContact O-N 2.89Å
447	Q	78.9	Confident	93.6	Very high	162 Å²	162	41.6 Å²	41.6	76%	0.757	20%	0.2	S	C	*	.			trans	-85.2	0	174.2	-83	-162.4	-5.4	0	0	111.9	R359 Q397	R359-Q447 VanDerWaalsContact CZ-O 3.29Å; R359-Q447 VanDerWaalsContact CZ-OXT 3.3Å; R359-Q447 PolarHBondContact NH1-O 2.89Å; R359-Q447 VanDerWaalsContact NH1-O 3.16Å; R359-Q447 PolarHBondContact NH1-OXT 3.11Å; R359-Q447 PolarHBondContact NH2-O 3.29Å; Q397-Q447 HydrophobicContact CB-CB 4.01Å; Q397-Q447 PolarHBondContact N-O 3.2Å; Q397-Q447 PolarHBondContact O-N 3.49Å

Retrieved 447 of 447 residues in 188.5 ms (Link to these results)

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