A0A077Z932_TRITR Loading...

PBP like 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z932, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	47.7	Very low	227 Å²	227	153 Å²	153	100%	1.118	83%	0.826	S	S	*	*				0	119.1	0	-127.2	169	83.8	0	0	108
2	K	43.7	Very low	48.2	Very low	193 Å²	193	150.8 Å²	150.8	84%	0.839	82%	0.821	S	S	*	*			trans	63.6	138.6	169.8	-62.5	-173.3	175.3	177.6	0	118
3	V	43.8	Very low	48.4	Very low	125 Å²	125	145.6 Å²	145.6	76%	0.758	81%	0.811	S	S	*	*			cis	-163.1	135.7	-19.6	155.3	0	0	0	0	104.3
4	M	41.9	Very low	48.7	Very low	169 Å²	169	141.2 Å²	141.2	83%	0.833	80%	0.802	S	S	*	*			trans	-60.9	138.7	167.2	-82.8	161.9	71	0	0	112
5	R	53.2	Low	49	Very low	245 Å²	245	140.6 Å²	140.6	93%	0.925	80%	0.803	S	S	*	*			trans	-136.3	124.6	147.6	-84.6	-169.5	167.9	174.4	-4.5	110.8
6	T	48.8	Very low	49.2	Very low	123 Å²	123	141.1 Å²	141.1	76%	0.755	80%	0.802	S	S	*	*			trans	-70.2	137.2	-179.5	-18.8	0	0	0	0	111.2
7	T	54.3	Low	49.5	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	80%	0.8	S	S	*	*			trans	-123.7	119.6	159.7	-46.6	0	0	0	0	108.1
8	V	51	Low	49.7	Very low	119 Å²	119	141.2 Å²	141.2	72%	0.721	80%	0.803	S	S	*	*			trans	-68.7	134	-176	170	0	0	0	0	110.4
9	A	44.3	Very low	49.8	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	79%	0.794	S	S	*	*			trans	-76.9	128.8	169.9	0	0	0	0	0	110.3
10	T	50.9	Low	49.9	Very low	123 Å²	123	136.3 Å²	136.3	76%	0.755	79%	0.793	S	S	*	*			trans	-114.3	101.1	165.2	-42.3	0	0	0	0	107.5	V12	T10-V12 HydrophobicContact CG2-CG2 4.48Å; T10-V12 PolarHBondContact O-N 3.46Å
11	V	50.9	Low	49.9	Very low	131 Å²	131	138.2 Å²	138.2	79%	0.794	79%	0.792	S	S	*	*			trans	-81.4	107.7	170.8	173.6	0	0	0	0	107.3
12	V	53.4	Low	50.2	Low	126 Å²	126	132 Å²	132	76%	0.764	77%	0.771	S	S	*	*			trans	-93.3	97.8	164.7	176.4	0	0	0	0	106.7	T10 A14	T10-V12 HydrophobicContact CG2-CG2 4.48Å; T10-V12 PolarHBondContact O-N 3.46Å; V12-A14 PolarHBondContact O-N 3.35Å
13	A	50.7	Low	50.6	Low	84 Å²	84	129.3 Å²	129.3	69%	0.694	77%	0.77	S	S	*	*			trans	-80.2	102.4	168.8	0	0	0	0	0	108.3	T15	A13-T15 PolarHBondContact O-N 3.16Å
14	A	52.6	Low	51.3	Low	84 Å²	84	132.2 Å²	132.2	69%	0.694	77%	0.773	S	S	*	*			trans	-76.4	101.4	168.9	0	0	0	0	0	108.9	V12 L16	V12-A14 PolarHBondContact O-N 3.35Å; A14-L16 PolarHBondContact O-N 3.27Å; A14-L16 VanDerWaalsContact O-N 3.16Å
15	T	52.7	Low	52.4	Low	132 Å²	132	128.5 Å²	128.5	81%	0.81	77%	0.769	S	S	*	*			trans	-69.3	102.3	169.3	3.3	0	0	0	0	108.9	A13 S17	A13-T15 PolarHBondContact O-N 3.16Å; T15-S17 PolarHBondContact O-N 3.01Å; T15-S17 VanDerWaalsContact O-N 3.1Å
16	L	53.4	Low	53.7	Low	149 Å²	149	121.9 Å²	121.9	78%	0.78	75%	0.749	S	S	*	*			trans	-67.1	103	163	-99.3	89.2	0	0	0	108.3	A14 M18	A14-L16 PolarHBondContact O-N 3.27Å; A14-L16 VanDerWaalsContact O-N 3.16Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.1Å
17	S	53.5	Low	55.5	Low	112 Å²	112	116.5 Å²	116.5	78%	0.783	72%	0.717	S	S	*	*			trans	-69.1	91.5	163.8	-54.4	0	0	0	0	108.6	T15 S19	T15-S17 PolarHBondContact O-N 3.01Å; T15-S17 VanDerWaalsContact O-N 3.1Å; S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 2.97Å
18	M	53.3	Low	57.5	Low	172 Å²	172	113.4 Å²	113.4	85%	0.847	70%	0.701	S	S	*	*			trans	-67.8	94	163.2	-82.8	-174.5	-112.6	0	0	108	L16 A20	L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.1Å; M18-A20 VanDerWaalsContact C-N 3.35Å; M18-A20 PolarHBondContact O-N 2.99Å
19	S	51.8	Low	59.8	Low	91 Å²	91	107.8 Å²	107.8	64%	0.636	67%	0.667	S	S	*	*			trans	-62.1	99.1	162	39.2	0	0	0	0	108.1	S17 F21	S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 2.97Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 2.93Å
20	A	51.2	Low	62.4	Low	93 Å²	93	106 Å²	106	77%	0.769	65%	0.647	S	S	*	*			trans	-64	93.4	168.6	0	0	0	0	0	108.2	M18 S22	M18-A20 VanDerWaalsContact C-N 3.35Å; M18-A20 PolarHBondContact O-N 2.99Å; A20-S22 PolarHBondContact O-N 2.87Å; A20-S22 VanDerWaalsContact O-N 3.11Å
21	F	50.8	Low	64.6	Low	177 Å²	177	100.2 Å²	100.2	78%	0.776	61%	0.612	S	S	*	*			trans	-66	107.8	160.4	-75.5	-85.8	0	0	0	106.4	S19 V23	S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 2.93Å; F21-V23 VanDerWaalsContact C-N 3.34Å; F21-V23 PolarHBondContact O-N 3.11Å
22	S	48.4	Very low	66.9	Low	96 Å²	96	94 Å²	94	67%	0.671	57%	0.574	S	S	*	*			trans	-55.5	102.1	166.3	-54	0	0	0	0	107.3	A20 F24	A20-S22 PolarHBondContact O-N 2.87Å; A20-S22 VanDerWaalsContact O-N 3.11Å; S22-F24 VanDerWaalsContact C-N 3.26Å; S22-F24 PolarHBondContact O-N 2.91Å
23	V	52.3	Low	69.1	Low	136 Å²	136	88 Å²	88	82%	0.824	54%	0.538	S	S	*	.			trans	-64.6	97.5	165.6	177.1	0	0	0	0	104.9	F21 A25	F21-V23 VanDerWaalsContact C-N 3.34Å; F21-V23 PolarHBondContact O-N 3.11Å; V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.09Å
24	F	57.4	Low	71.4	Confident	187 Å²	187	84 Å²	84	82%	0.82	51%	0.505	S	S	*	.			trans	-58.8	115.6	167.3	-80.8	-87.3	0	0	0	106.3	S22 E26	S22-F24 VanDerWaalsContact C-N 3.26Å; S22-F24 PolarHBondContact O-N 2.91Å; F24-E26 PolarHBondContact O-N 2.87Å
25	A	65.3	Low	73.6	Confident	91 Å²	91	80.2 Å²	80.2	75%	0.752	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-60.6	121.6	176.6	0	0	0	0	0	108.2	V23 A27	V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.09Å; A25-A27 PolarHBondContact O-N 2.94Å
26	E	80.3	Confident	75.8	Confident	105 Å²	105	73.9 Å²	73.9	49%	0.491	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-57.8	119.9	177.2	-168.5	-174.2	174.2	0	0	109.4	F24 G53 K55	F24-E26 PolarHBondContact O-N 2.87Å; E26-G53 WeakPolarHBondContact CG-O 3.18Å; E26-K55 VanDerWaalsContact CD-NZ 3.29Å; E26-K55 VanDerWaalsContact OE1-CD 3.32Å; E26-K55 WeakPolarHBondContact OE1-CD 3.32Å; E26-K55 WeakPolarHBondContact OE1-CE 3.44Å; E26-K55 WeakPolarHBondContact OE1-CG 2.95Å; E26-K55 IonicContact OE1-NZ 3.6Å; E26-K55 PolarHBondContact OE1-NZ 3.38Å; E26-K55 IonicContact OE2-NZ 3.53Å; E26-K55 PolarHBondContact OE2-NZ 2.88Å
27	A	88	Confident	77.9	Confident	10 Å²	10	66.8 Å²	66.8	8%	0.083	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-75.9	141.2	176.3	0	0	0	0	0	110.4	A25 N54 K55 E297	A25-A27 PolarHBondContact O-N 2.94Å; A27-N54 WeakPolarHBondContact CB-OD1 3.48Å; A27-N54 PolarHBondContact N-OD1 2.85Å; A27-K55 PolarHBondContact O-N 3.41Å; A27-E297 HydrophobicContact CB-CB 3.96Å; A27-E297 HydrophobicContact CB-CG 3.72Å
28	S	95.7	Very high	80.1	Confident	75 Å²	75	62.2 Å²	62.2	52%	0.524	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	101	171.6	-176.7	0	0	0	0	108.8	Q294	S28-Q294 PolarHBondContact O-NE2 3.02Å
29	L	98.4	Very high	82.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.2	-178.3	-57.8	179.6	0	0	0	111	K55 V56 N57 D76 Q294 E297 V298	L29-K55 PolarHBondContact N-O 3.01Å; L29-V56 HydrophobicContact CB-CG2 4.41Å; L29-V56 HydrophobicContact CD1-CG2 4.25Å; L29-N57 PolarHBondContact O-N 2.97Å; L29-D76 WeakPolarHBondContact CA-OD2 3.16Å; L29-Q294 HydrophobicContact CD2-CB 4.31Å; L29-E297 HydrophobicContact CD1-CB 3.98Å; L29-E297 HydrophobicContact CD2-CB 4.09Å; L29-E297 HydrophobicContact CG-CB 4.4Å; L29-V298 HydrophobicContact CD1-CG2 3.92Å; L29-V298 HydrophobicContact CD2-CG2 4.03Å; L29-V298 HydrophobicContact CG-CG2 4.46Å
30	T	98.7	Very high	84.5	Confident	52 Å²	52	51.3 Å²	51.3	32%	0.319	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.1	176.5	56.9	0	0	0	0	109.9	N57 V75 D76 F77	T30-N57 CarbonylContact C-O 3.54Å; T30-N57 WeakPolarHBondContact CA-O 3.49Å; T30-V75 WeakPolarHBondContact OG1-CA 3.39Å; T30-D76 PolarHBondContact N-OD2 2.84Å; T30-D76 WeakPolarHBondContact O-CA 3.48Å; T30-D76 WeakPolarHBondContact O-CB 3.44Å; T30-D76 PolarHBondContact O-N 3.3Å; T30-D76 PolarHBondContact OG1-N 2.83Å; T30-D76 PolarHBondContact OG1-OD2 3.17Å; T30-F77 PolarHBondContact O-N 3.38Å
31	G	98.9	Very high	86.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.9	172.9	0	0	0	0	0	111.6	N57 Y58 Q59 F77	G31-N57 PolarHBondContact N-O 2.9Å; G31-Y58 CarbonylContact O-C 3.44Å; G31-Y58 WeakPolarHBondContact O-CA 3.27Å; G31-Q59 PolarHBondContact O-N 3.3Å; G31-F77 VanDerWaalsContact CA-O 3.23Å; G31-F77 WeakPolarHBondContact CA-O 3.39Å
32	A	98.8	Very high	89	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.2	177.7	0	0	0	0	0	112.6	Q59 I61 G66 V75 F77 G78 A79	A32-Q59 VanDerWaalsContact CA-O 3.29Å; A32-Q59 WeakPolarHBondContact CA-O 3.33Å; A32-Q59 HydrophobicContact CB-CB 4.06Å; A32-I61 HydrophobicContact CB-CD1 3.8Å; A32-I61 HydrophobicContact CB-CG1 4.17Å; A32-G66 WeakPolarHBondContact O-CA 3.49Å; A32-V75 HydrophobicContact CB-CG1 3.94Å; A32-F77 PolarHBondContact N-O 3.33Å; A32-G78 CarbonylContact O-C 3.54Å; A32-G78 WeakPolarHBondContact O-CA 3.34Å; A32-A79 PolarHBondContact O-N 2.93Å
33	G	98.8	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-125.2	169	0	0	0	0	0	114.8	T35 Q59 G60 I61 G62 G66 A79	G33-T35 PolarHBondContact O-N 3.18Å; G33-Q59 PolarHBondContact N-O 2.96Å; G33-G60 CarbonylContact O-C 3.57Å; G33-I61 PolarHBondContact O-N 3.26Å; G33-G62 CarbonylContact C-O 3.59Å; G33-G62 WeakPolarHBondContact CA-O 3.3Å; G33-G62 CarbonylContact O-C 3.52Å; G33-G62 WeakPolarHBondContact O-CA 3.41Å; G33-G62 PolarHBondContact O-N 3.5Å; G33-G66 VanDerWaalsContact CA-CA 3.46Å; G33-A79 WeakPolarHBondContact CA-O 3.42Å
34	A	98.7	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.			trans	-47.2	127.2	-173.3	0	0	0	0	0	114.1	F36 P37 Y58 A79 D81	A34-F36 VanDerWaalsContact C-N 3.3Å; A34-P37 HydrophobicContact CB-CG 4.13Å; A34-Y58 PolarHBondContact N-OH 2.76Å; A34-Y58 PolarHBondContact O-OH 3.5Å; A34-A79 HydrophobicContact CB-CB 4.38Å; A34-A79 PolarHBondContact N-O 2.67Å; A34-D81 WeakPolarHBondContact CB-OD1 3.48Å; A34-D81 WeakPolarHBondContact CB-OD2 3.43Å
35	T	98.7	Very high	95.6	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-78.6	-19	169.8	48.3	0	0	0	0	111.9	G33 A38 R160 N202 Y223	G33-T35 PolarHBondContact O-N 3.18Å; T35-A38 WeakPolarHBondContact O-CB 3.47Å; T35-A38 PolarHBondContact O-N 3.09Å; T35-A38 VanDerWaalsContact O-N 3.17Å; T35-R160 PolarHBondContact OG1-NH1 3.2Å; T35-R160 PolarHBondContact OG1-NH2 2.66Å; T35-N202 PolarHBondContact OG1-N 2.77Å; T35-N202 PolarHBondContact OG1-ND2 3.32Å; T35-Y223 VanDerWaalsContact O-CE2 3.25Å; T35-Y223 WeakPolarHBondContact O-CE2 3.43Å; T35-Y223 PolarHBondContact O-OH 2.89Å
36	F	98.7	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-49.4	-180	176.6	-70.8	0	0	0	113.1	A34 D81 V104 N202 E220 T281 Y318	A34-F36 VanDerWaalsContact C-N 3.3Å; F36-D81 WeakPolarHBondContact CB-OD1 3.16Å; F36-V104 HydrophobicContact CD2-CG2 4.46Å; F36-V104 HydrophobicContact CE2-CG2 3.97Å; F36-N202 PolarHBondContact N-ND2 2.7Å; F36-E220 HydrophobicContact CB-CB 4.34Å; F36-E220 HydrophobicContact CB-CG 4.36Å; F36-E220 HydrophobicContact CD1-CG 3.77Å; F36-E220 HydrophobicContact CD2-CB 3.55Å; F36-E220 HydrophobicContact CD2-CG 3.37Å; F36-E220 HydrophobicContact CE1-CG 3.83Å; F36-E220 HydrophobicContact CE2-CB 3.97Å; F36-E220 HydrophobicContact CE2-CG 3.45Å; F36-E220 VanDerWaalsContact CE2-CG 3.45Å; F36-E220 HydrophobicContact CG-CB 3.91Å; F36-E220 HydrophobicContact CG-CG 3.54Å; F36-E220 HydrophobicContact CZ-CG 3.68Å; F36-E220 WeakPolarHBondContact O-CG 3.33Å; F36-T281 HydrophobicContact CD1-CG2 4.42Å; F36-Y318 HydrophobicContact CD1-CE1 4.28Å; F36-Y318 HydrophobicContact CE1-CD1 4.49Å; F36-Y318 HydrophobicContact CE1-CE1 4.08Å; F36-Y318 PolarHBondContact O-OH 3.09Å
37	P	98.7	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.5	176.3	36.9	-37.8	0	0	0	114.4	A34 P39 V40 Y41 V100 T281	A34-P37 HydrophobicContact CB-CG 4.13Å; P37-P39 VanDerWaalsContact C-CD 3.42Å; P37-P39 VanDerWaalsContact C-N 3.31Å; P37-V40 HydrophobicContact CB-CG1 4.06Å; P37-V40 WeakPolarHBondContact O-CG1 3.36Å; P37-V40 PolarHBondContact O-N 2.7Å; P37-V40 VanDerWaalsContact O-N 3.14Å; P37-Y41 HydrophobicContact CB-CD1 4.19Å; P37-Y41 HydrophobicContact CB-CD2 4.13Å; P37-Y41 HydrophobicContact CB-CE1 3.85Å; P37-Y41 HydrophobicContact CB-CE2 3.79Å; P37-Y41 HydrophobicContact CB-CG 4.32Å; P37-Y41 HydrophobicContact CG-CD2 3.91Å; P37-Y41 HydrophobicContact CG-CE1 4.36Å; P37-Y41 HydrophobicContact CG-CE2 3.39Å; P37-Y41 PolarHBondContact O-N 3.05Å; P37-V100 HydrophobicContact CB-CG2 4.44Å; P37-T281 HydrophobicContact CB-CG2 3.63Å; P37-T281 HydrophobicContact CG-CG2 3.77Å
38	A	98.7	Very high	98.5	Very high	16 Å²	16	20.4 Å²	20.4	13%	0.132	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-39.1	-174.2	0	0	0	0	0	113.5	T35 V40 Y41 A42 Y58	T35-A38 WeakPolarHBondContact O-CB 3.47Å; T35-A38 PolarHBondContact O-N 3.09Å; T35-A38 VanDerWaalsContact O-N 3.17Å; A38-V40 PolarHBondContact O-N 2.82Å; A38-Y41 PolarHBondContact O-N 3.23Å; A38-A42 VanDerWaalsContact O-CB 3.28Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3.35Å; A38-Y58 HydrophobicContact CB-CD1 4.26Å; A38-Y58 HydrophobicContact CB-CE1 3.88Å
39	P	98.7	Very high	98.7	Very high	34 Å²	34	20.9 Å²	20.9	22%	0.221	12%	0.12	C	C	.	.	H	α-helix	trans	-56.3	-48.4	174.9	-27.1	36.1	0	0	0	113.4	P37 K43 A222 Y223 L316 Y318	P37-P39 VanDerWaalsContact C-CD 3.42Å; P37-P39 VanDerWaalsContact C-N 3.31Å; P39-K43 PolarHBondContact O-N 2.96Å; P39-K43 VanDerWaalsContact O-N 3.1Å; P39-A222 HydrophobicContact CB-CB 4.49Å; P39-A222 HydrophobicContact CG-CB 4.32Å; P39-Y223 HydrophobicContact CG-CD2 4.4Å; P39-Y223 HydrophobicContact CG-CE2 3.74Å; P39-L316 HydrophobicContact CB-CD1 4.22Å; P39-L316 HydrophobicContact CB-CD2 4.47Å; P39-Y318 HydrophobicContact CB-CE2 4.5Å; P39-Y318 WeakPolarHBondContact CD-OH 3.45Å
40	V	98.8	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72.8	-38.2	-178.5	62.4	0	0	0	0	112	P37 A38 A42 K43 W44 V100 A313 L316 Y318	P37-V40 HydrophobicContact CB-CG1 4.06Å; P37-V40 WeakPolarHBondContact O-CG1 3.36Å; P37-V40 PolarHBondContact O-N 2.7Å; P37-V40 VanDerWaalsContact O-N 3.14Å; A38-V40 PolarHBondContact O-N 2.82Å; V40-A42 PolarHBondContact O-N 2.69Å; V40-K43 PolarHBondContact O-N 3.48Å; V40-W44 HydrophobicContact CG2-CD2 3.83Å; V40-W44 VanDerWaalsContact CG2-CE2 3.45Å; V40-W44 HydrophobicContact CG2-CE3 4.36Å; V40-W44 HydrophobicContact CG2-CG 4.29Å; V40-W44 HydrophobicContact CG2-CH2 4.31Å; V40-W44 HydrophobicContact CG2-CZ2 3.73Å; V40-W44 WeakPolarHBondContact O-CB 3.37Å; V40-W44 VanDerWaalsContact O-CG 3.31Å; V40-W44 PolarHBondContact O-N 2.82Å; V40-V100 HydrophobicContact CG1-CG2 4.16Å; V40-A313 HydrophobicContact CG2-CB 3.86Å; V40-L316 HydrophobicContact CB-CD1 4.04Å; V40-Y318 HydrophobicContact CB-CD2 3.82Å; V40-Y318 HydrophobicContact CB-CE2 3.77Å; V40-Y318 HydrophobicContact CG1-CD2 3.97Å; V40-Y318 HydrophobicContact CG1-CE1 4.45Å; V40-Y318 HydrophobicContact CG1-CE2 3.84Å; V40-Y318 HydrophobicContact CG1-CG 4.32Å; V40-Y318 HydrophobicContact CG2-CD2 4.5Å
41	Y	98.8	Very high	98.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-38.8	176.4	-68	-6.2	0	0	0	112.4	P37 A38 K43 W44 A45 Y58 A79 T99 I283 F302	P37-Y41 HydrophobicContact CB-CD1 4.19Å; P37-Y41 HydrophobicContact CB-CD2 4.13Å; P37-Y41 HydrophobicContact CB-CE1 3.85Å; P37-Y41 HydrophobicContact CB-CE2 3.79Å; P37-Y41 HydrophobicContact CB-CG 4.32Å; P37-Y41 HydrophobicContact CG-CD2 3.91Å; P37-Y41 HydrophobicContact CG-CE1 4.36Å; P37-Y41 HydrophobicContact CG-CE2 3.39Å; P37-Y41 PolarHBondContact O-N 3.05Å; A38-Y41 PolarHBondContact O-N 3.23Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-W44 AromaticContact CD1-CE3 3.74Å; Y41-W44 HydrophobicContact CD1-CE3 3.74Å; Y41-W44 AromaticContact CD1-CZ3 3.87Å; Y41-W44 HydrophobicContact CD1-CZ3 3.87Å; Y41-W44 HydrophobicContact CE1-CE3 4.16Å; Y41-W44 AromaticContact CE1-CZ3 3.79Å; Y41-W44 HydrophobicContact CE1-CZ3 3.79Å; Y41-A45 VanDerWaalsContact O-CB 3.25Å; Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 3.01Å; Y41-Y58 HydrophobicContact CD2-CD1 4.3Å; Y41-Y58 HydrophobicContact CD2-CD2 4.18Å; Y41-Y58 AromaticContact CD2-CE1 3.97Å; Y41-Y58 HydrophobicContact CD2-CE1 3.97Å; Y41-Y58 AromaticContact CD2-CE2 3.83Å; Y41-Y58 HydrophobicContact CD2-CE2 3.83Å; Y41-Y58 HydrophobicContact CD2-CG 4.39Å; Y41-Y58 AromaticContact CD2-CZ 3.71Å; Y41-Y58 HydrophobicContact CE2-CE2 4.28Å; Y41-A79 HydrophobicContact CE2-CB 4.37Å; Y41-T99 HydrophobicContact CE1-CG2 4.32Å; Y41-T99 WeakPolarHBondContact OH-CG2 3.19Å; Y41-T99 PolarHBondContact OH-OG1 2.87Å; Y41-I283 HydrophobicContact CE2-CD1 3.69Å; Y41-I283 WeakPolarHBondContact OH-CD1 3.4Å; Y41-F302 HydrophobicContact CE1-CE1 4.33Å
42	A	98.5	Very high	98.5	Very high	57 Å²	57	34.2 Å²	34.2	47%	0.471	18%	0.18	S	C	.	.	H	α-helix	trans	-63.2	-41.3	173.3	0	0	0	0	0	111.2	A38 V40 A45 D46	A38-A42 VanDerWaalsContact O-CB 3.28Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3.35Å; V40-A42 PolarHBondContact O-N 2.69Å; A42-A45 PolarHBondContact O-N 3.16Å; A42-D46 WeakPolarHBondContact O-CB 3.38Å; A42-D46 PolarHBondContact O-N 3.48Å
43	K	98.6	Very high	98.4	Very high	85 Å²	85	35.6 Å²	35.6	37%	0.37	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-42.2	178.7	-177.1	57.5	-175.9	168	0	112.8	P39 V40 Y41 D46 T47 Q312 L316	P39-K43 PolarHBondContact O-N 2.96Å; P39-K43 VanDerWaalsContact O-N 3.1Å; V40-K43 PolarHBondContact O-N 3.48Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; K43-D46 IonicContact NZ-OD2 2.68Å; K43-T47 PolarHBondContact O-N 2.73Å; K43-T47 PolarHBondContact O-OG1 3.45Å; K43-Q312 HydrophobicContact CG-CB 4Å; K43-Q312 HydrophobicContact CG-CG 4.44Å; K43-L316 HydrophobicContact CB-CD1 4.08Å
44	W	98.8	Very high	98.4	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-47	173.5	-73.4	-11.1	0	0	0	111.4	V40 Y41 D46 T47 Y48 V100 F301 W304 A305 G309 Q312 A313	V40-W44 HydrophobicContact CG2-CD2 3.83Å; V40-W44 VanDerWaalsContact CG2-CE2 3.45Å; V40-W44 HydrophobicContact CG2-CE3 4.36Å; V40-W44 HydrophobicContact CG2-CG 4.29Å; V40-W44 HydrophobicContact CG2-CH2 4.31Å; V40-W44 HydrophobicContact CG2-CZ2 3.73Å; V40-W44 WeakPolarHBondContact O-CB 3.37Å; V40-W44 VanDerWaalsContact O-CG 3.31Å; V40-W44 PolarHBondContact O-N 2.82Å; Y41-W44 AromaticContact CD1-CE3 3.74Å; Y41-W44 HydrophobicContact CD1-CE3 3.74Å; Y41-W44 AromaticContact CD1-CZ3 3.87Å; Y41-W44 HydrophobicContact CD1-CZ3 3.87Å; Y41-W44 HydrophobicContact CE1-CE3 4.16Å; Y41-W44 AromaticContact CE1-CZ3 3.79Å; Y41-W44 HydrophobicContact CE1-CZ3 3.79Å; W44-D46 PolarHBondContact O-N 2.88Å; W44-T47 PolarHBondContact O-N 2.65Å; W44-Y48 VanDerWaalsContact O-CB 3.24Å; W44-Y48 WeakPolarHBondContact O-CB 3.3Å; W44-Y48 PolarHBondContact O-N 2.68Å; W44-V100 HydrophobicContact CH2-CG1 3.4Å; W44-V100 VanDerWaalsContact CH2-CG1 3.4Å; W44-V100 HydrophobicContact CZ2-CG1 3.89Å; W44-V100 HydrophobicContact CZ3-CG1 4.31Å; W44-F301 HydrophobicContact CB-CE2 4Å; W44-F301 HydrophobicContact CB-CZ 3.92Å; W44-W304 HydrophobicContact CB-CZ3 3.9Å; W44-W304 HydrophobicContact CG-CZ3 4.16Å; W44-A305 HydrophobicContact CD2-CB 3.67Å; W44-A305 HydrophobicContact CE3-CB 3.53Å; W44-A305 HydrophobicContact CG-CB 4.28Å; W44-A305 HydrophobicContact CH2-CB 3.99Å; W44-A305 HydrophobicContact CZ2-CB 4.14Å; W44-A305 HydrophobicContact CZ3-CB 3.7Å; W44-G309 PolarHBondContact NE1-O 2.7Å; W44-Q312 VanDerWaalsContact CD1-OE1 3.28Å; W44-A313 HydrophobicContact CZ2-CB 4.02Å
45	A	98.7	Very high	98.3	Very high	9 Å²	9	40.5 Å²	40.5	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-45.8	177.9	0	0	0	0	0	112.8	Y41 A42 T47 Y48 Q49 V56	Y41-A45 VanDerWaalsContact O-CB 3.25Å; Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 3.01Å; A42-A45 PolarHBondContact O-N 3.16Å; A45-T47 VanDerWaalsContact C-N 3.31Å; A45-T47 PolarHBondContact O-N 2.76Å; A45-Y48 PolarHBondContact O-N 2.78Å; A45-Q49 WeakPolarHBondContact O-CB 3.24Å; A45-Q49 PolarHBondContact O-N 3.23Å; A45-V56 HydrophobicContact CB-CB 3.84Å; A45-V56 HydrophobicContact CB-CG1 4.35Å
46	D	98.6	Very high	98.4	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-58.2	-43.2	176.3	168.9	70.3	0	0	0	112	A42 K43 W44 K50	A42-D46 WeakPolarHBondContact O-CB 3.38Å; A42-D46 PolarHBondContact O-N 3.48Å; K43-D46 IonicContact NZ-OD2 2.68Å; W44-D46 PolarHBondContact O-N 2.88Å; D46-K50 WeakPolarHBondContact O-CD 3.47Å; D46-K50 VanDerWaalsContact O-CG 3.32Å; D46-K50 WeakPolarHBondContact O-CG 3.43Å; D46-K50 PolarHBondContact O-N 2.99Å; D46-K50 WeakPolarHBondContact OD1-CE 3.15Å; D46-K50 IonicContact OD1-NZ 2.7Å; D46-K50 PolarHBondContact OD1-NZ 2.86Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 2.99Å
47	T	98.6	Very high	98.3	Very high	16 Å²	16	45 Å²	45	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-74.9	-43.7	-178	-52.2	0	0	0	0	111.3	K43 W44 A45 Q49 K50 E51 W304 Q312	K43-T47 PolarHBondContact O-N 2.73Å; K43-T47 PolarHBondContact O-OG1 3.45Å; W44-T47 PolarHBondContact O-N 2.65Å; A45-T47 VanDerWaalsContact C-N 3.31Å; A45-T47 PolarHBondContact O-N 2.76Å; T47-Q49 VanDerWaalsContact C-N 3.27Å; T47-Q49 PolarHBondContact O-N 3.35Å; T47-K50 WeakPolarHBondContact O-CB 3.46Å; T47-K50 PolarHBondContact O-N 3.48Å; T47-E51 HydrophobicContact CG2-CG 4.47Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.39Å; T47-E51 PolarHBondContact O-N 3.05Å; T47-W304 HydrophobicContact CG2-CH2 3.87Å; T47-W304 HydrophobicContact CG2-CZ2 3.77Å; T47-Q312 PolarHBondContact OG1-NE2 2.95Å; T47-Q312 PolarHBondContact OG1-OE1 2.9Å
48	Y	98.5	Very high	98.3	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-39.1	177	-171.1	-116.8	0	0	0	111.7	W44 A45 E51 T52 N54 V56 F301 W304	W44-Y48 VanDerWaalsContact O-CB 3.24Å; W44-Y48 WeakPolarHBondContact O-CB 3.3Å; W44-Y48 PolarHBondContact O-N 2.68Å; A45-Y48 PolarHBondContact O-N 2.78Å; Y48-E51 PolarHBondContact O-N 3.27Å; Y48-T52 HydrophobicContact CD2-CG2 3.75Å; Y48-T52 HydrophobicContact CE2-CG2 3.54Å; Y48-T52 HydrophobicContact CG-CG2 4.47Å; Y48-T52 WeakPolarHBondContact O-CB 3.32Å; Y48-T52 PolarHBondContact O-N 3.34Å; Y48-T52 PolarHBondContact O-OG1 2.85Å; Y48-N54 HydrophobicContact CD1-CB 3.91Å; Y48-N54 HydrophobicContact CE1-CB 3.47Å; Y48-N54 VanDerWaalsContact CE1-CB 3.47Å; Y48-N54 PolarHBondContact OH-ND2 2.86Å; Y48-V56 HydrophobicContact CD1-CG2 4.24Å; Y48-F301 HydrophobicContact CD1-CB 4.42Å; Y48-F301 AromaticContact CD1-CD2 3.58Å; Y48-F301 HydrophobicContact CD1-CD2 3.58Å; Y48-F301 HydrophobicContact CD1-CE2 4.34Å; Y48-F301 HydrophobicContact CD1-CG 4.41Å; Y48-F301 HydrophobicContact CD2-CD2 4.36Å; Y48-F301 HydrophobicContact CE1-CB 4.01Å; Y48-F301 HydrophobicContact CE1-CD2 4.05Å; Y48-F301 HydrophobicContact CE1-CG 4.49Å; Y48-F301 AromaticContact CG-CD2 3.75Å; Y48-F301 HydrophobicContact CG-CD2 3.75Å; Y48-F301 HydrophobicContact CG-CE2 4.3Å; Y48-W304 HydrophobicContact CD2-CB 4Å; Y48-W304 AromaticContact CD2-CD1 3.87Å; Y48-W304 AromaticContact CD2-CD2 3.46Å; Y48-W304 HydrophobicContact CD2-CD2 3.46Å; Y48-W304 VanDerWaalsContact CD2-CD2 3.46Å; Y48-W304 AromaticContact CD2-CE2 3.89Å; Y48-W304 AromaticContact CD2-CE3 3.84Å; Y48-W304 HydrophobicContact CD2-CE3 3.84Å; Y48-W304 AromaticContact CD2-CG 3.51Å; Y48-W304 HydrophobicContact CD2-CG 3.51Å; Y48-W304 HydrophobicContact CE2-CB 3.75Å; Y48-W304 HydrophobicContact CE2-CD2 4.15Å; Y48-W304 AromaticContact CE2-CG 3.7Å; Y48-W304 HydrophobicContact CE2-CG 3.7Å; Y48-W304 HydrophobicContact CG-CD2 4.32Å; Y48-W304 HydrophobicContact CG-CE3 4.3Å
49	Q	98.3	Very high	98.3	Very high	85 Å²	85	50.5 Å²	50.5	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-41.2	173.6	-171.3	-174.9	-5.6	0	0	112	A45 T47 G53 N54 K55	A45-Q49 WeakPolarHBondContact O-CB 3.24Å; A45-Q49 PolarHBondContact O-N 3.23Å; T47-Q49 VanDerWaalsContact C-N 3.27Å; T47-Q49 PolarHBondContact O-N 3.35Å; Q49-G53 WeakPolarHBondContact O-CA 3.5Å; Q49-G53 PolarHBondContact O-N 3.43Å; Q49-N54 WeakPolarHBondContact CA-O 3.19Å; Q49-N54 WeakPolarHBondContact CB-O 3.41Å; Q49-K55 HydrophobicContact CG-CG 4.18Å
50	K	98.1	Very high	98.3	Very high	148 Å²	148	50.8 Å²	50.8	64%	0.643	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-36.4	177.2	-72.5	165.5	-176.1	164.3	0	112.8	D46 T47	D46-K50 WeakPolarHBondContact O-CD 3.47Å; D46-K50 VanDerWaalsContact O-CG 3.32Å; D46-K50 WeakPolarHBondContact O-CG 3.43Å; D46-K50 PolarHBondContact O-N 2.99Å; D46-K50 WeakPolarHBondContact OD1-CE 3.15Å; D46-K50 IonicContact OD1-NZ 2.7Å; D46-K50 PolarHBondContact OD1-NZ 2.86Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 2.99Å; T47-K50 WeakPolarHBondContact O-CB 3.46Å; T47-K50 PolarHBondContact O-N 3.48Å
51	E	98	Very high	98.3	Very high	121 Å²	121	53.5 Å²	53.5	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-83.7	-34.6	-177.3	-71.1	-178.6	-169	0	0	113.4	T47 Y48 W304	T47-E51 HydrophobicContact CG2-CG 4.47Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.39Å; T47-E51 PolarHBondContact O-N 3.05Å; Y48-E51 PolarHBondContact O-N 3.27Å; E51-W304 PolarHBondContact OE2-NE1 2.98Å
52	T	97.1	Very high	98.2	Very high	64 Å²	64	53.3 Å²	53.3	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-120.9	-14.6	-169.2	72	0	0	0	0	114.4	Y48 N54	Y48-T52 HydrophobicContact CD2-CG2 3.75Å; Y48-T52 HydrophobicContact CE2-CG2 3.54Å; Y48-T52 HydrophobicContact CG-CG2 4.47Å; Y48-T52 WeakPolarHBondContact O-CB 3.32Å; Y48-T52 PolarHBondContact O-N 3.34Å; Y48-T52 PolarHBondContact O-OG1 2.85Å; T52-N54 PolarHBondContact O-N 3.38Å; T52-N54 WeakPolarHBondContact OG1-CB 3.27Å; T52-N54 PolarHBondContact OG1-N 3.43Å; T52-N54 VanDerWaalsContact OG1-N 3.16Å
53	G	96.7	Very high	98.2	Very high	29 Å²	29	50.6 Å²	50.6	30%	0.299	26%	0.263	S	S	.	.			trans	81	-22.6	-168.6	0	0	0	0	0	114	E26 Q49 K55	E26-G53 WeakPolarHBondContact CG-O 3.18Å; Q49-G53 WeakPolarHBondContact O-CA 3.5Å; Q49-G53 PolarHBondContact O-N 3.43Å; G53-K55 PolarHBondContact O-N 3.47Å
54	N	97.4	Very high	98.2	Very high	19 Å²	19	49 Å²	49	10%	0.102	26%	0.262	C	S	.	.			trans	-63	135.1	-177	-73.3	-34.3	0	0	0	112.6	A27 Y48 Q49 T52 E297	A27-N54 WeakPolarHBondContact CB-OD1 3.48Å; A27-N54 PolarHBondContact N-OD1 2.85Å; Y48-N54 HydrophobicContact CD1-CB 3.91Å; Y48-N54 HydrophobicContact CE1-CB 3.47Å; Y48-N54 VanDerWaalsContact CE1-CB 3.47Å; Y48-N54 PolarHBondContact OH-ND2 2.86Å; Q49-N54 WeakPolarHBondContact CA-O 3.19Å; Q49-N54 WeakPolarHBondContact CB-O 3.41Å; T52-N54 PolarHBondContact O-N 3.38Å; T52-N54 WeakPolarHBondContact OG1-CB 3.27Å; T52-N54 PolarHBondContact OG1-N 3.43Å; T52-N54 VanDerWaalsContact OG1-N 3.16Å; N54-E297 PolarHBondContact ND2-OE2 3.39Å; N54-E297 VanDerWaalsContact ND2-OE2 3.09Å
55	K	98.4	Very high	98.2	Very high	84 Å²	84	49.8 Å²	49.8	37%	0.365	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.1	-179.6	-71.5	169.9	176.2	129.8	0	110.8	E26 A27 L29 Q49 G53	E26-K55 VanDerWaalsContact CD-NZ 3.29Å; E26-K55 VanDerWaalsContact OE1-CD 3.32Å; E26-K55 WeakPolarHBondContact OE1-CD 3.32Å; E26-K55 WeakPolarHBondContact OE1-CE 3.44Å; E26-K55 WeakPolarHBondContact OE1-CG 2.95Å; E26-K55 IonicContact OE1-NZ 3.6Å; E26-K55 PolarHBondContact OE1-NZ 3.38Å; E26-K55 IonicContact OE2-NZ 3.53Å; E26-K55 PolarHBondContact OE2-NZ 2.88Å; A27-K55 PolarHBondContact O-N 3.41Å; L29-K55 PolarHBondContact N-O 3.01Å; Q49-K55 HydrophobicContact CG-CG 4.18Å; G53-K55 PolarHBondContact O-N 3.47Å
56	V	98.7	Very high	98.2	Very high	17 Å²	17	49.4 Å²	49.4	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.2	171.4	-177.1	0	0	0	0	108.9	L29 A45 Y48 F77 F301	L29-V56 HydrophobicContact CB-CG2 4.41Å; L29-V56 HydrophobicContact CD1-CG2 4.25Å; A45-V56 HydrophobicContact CB-CB 3.84Å; A45-V56 HydrophobicContact CB-CG1 4.35Å; Y48-V56 HydrophobicContact CD1-CG2 4.24Å; V56-F77 HydrophobicContact CG1-CE1 4.13Å; V56-F77 HydrophobicContact CG1-CZ 3.99Å; V56-F301 HydrophobicContact CG1-CD1 4.28Å; V56-F301 HydrophobicContact CG1-CE1 3.98Å; V56-F301 HydrophobicContact CG1-CZ 4.23Å; V56-F301 HydrophobicContact CG2-CB 4.46Å; V56-F301 HydrophobicContact CG2-CD1 4.19Å; V56-F301 HydrophobicContact CG2-CD2 3.87Å; V56-F301 HydrophobicContact CG2-CE1 4.42Å; V56-F301 HydrophobicContact CG2-CE2 4.12Å; V56-F301 HydrophobicContact CG2-CG 3.9Å; V56-F301 HydrophobicContact CG2-CZ 4.38Å
57	N	98.4	Very high	98.2	Very high	82 Å²	82	47.8 Å²	47.8	44%	0.439	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109	176.1	-172.8	-58.9	0	0	0	109.7	L29 T30 G31 Q59	L29-N57 PolarHBondContact O-N 2.97Å; T30-N57 CarbonylContact C-O 3.54Å; T30-N57 WeakPolarHBondContact CA-O 3.49Å; G31-N57 PolarHBondContact N-O 2.9Å; N57-Q59 PolarHBondContact OD1-NE2 2.93Å
58	Y	98.7	Very high	98.2	Very high	32 Å²	32	54.7 Å²	54.7	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.8	179.2	-172.9	-104.2	0	0	0	112.3	G31 A34 A38 Y41 F77 A79	G31-Y58 CarbonylContact O-C 3.44Å; G31-Y58 WeakPolarHBondContact O-CA 3.27Å; A34-Y58 PolarHBondContact N-OH 2.76Å; A34-Y58 PolarHBondContact O-OH 3.5Å; A38-Y58 HydrophobicContact CB-CD1 4.26Å; A38-Y58 HydrophobicContact CB-CE1 3.88Å; Y41-Y58 HydrophobicContact CD2-CD1 4.3Å; Y41-Y58 HydrophobicContact CD2-CD2 4.18Å; Y41-Y58 AromaticContact CD2-CE1 3.97Å; Y41-Y58 HydrophobicContact CD2-CE1 3.97Å; Y41-Y58 AromaticContact CD2-CE2 3.83Å; Y41-Y58 HydrophobicContact CD2-CE2 3.83Å; Y41-Y58 HydrophobicContact CD2-CG 4.39Å; Y41-Y58 AromaticContact CD2-CZ 3.71Å; Y41-Y58 HydrophobicContact CE2-CE2 4.28Å; Y58-F77 AromaticContact CD2-CE2 3.82Å; Y58-F77 HydrophobicContact CD2-CE2 3.82Å; Y58-F77 HydrophobicContact CD2-CZ 4.14Å; Y58-F77 HydrophobicContact CE2-CE2 4.05Å; Y58-A79 HydrophobicContact CE2-CB 3.83Å; Y58-A79 WeakPolarHBondContact OH-CB 3.38Å
59	Q	98.5	Very high	98.2	Very high	99 Å²	99	57.2 Å²	57.2	46%	0.463	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.4	-179.3	-62.9	-63	-41.8	0	0	111.7	G31 A32 G33 N57 I61	G31-Q59 PolarHBondContact O-N 3.3Å; A32-Q59 VanDerWaalsContact CA-O 3.29Å; A32-Q59 WeakPolarHBondContact CA-O 3.33Å; A32-Q59 HydrophobicContact CB-CB 4.06Å; G33-Q59 PolarHBondContact N-O 2.96Å; N57-Q59 PolarHBondContact OD1-NE2 2.93Å; Q59-I61 HydrophobicContact CB-CG2 4.17Å; Q59-I61 PolarHBondContact O-N 3.46Å
60	G	98.1	Very high	98.3	Very high	41 Å²	41	53.2 Å²	53.2	42%	0.423	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	88.2	176.1	0	0	0	0	0	112.6	G33	G33-G60 CarbonylContact O-C 3.57Å
61	I	98.1	Very high	98.3	Very high	57 Å²	57	48.8 Å²	48.8	29%	0.292	27%	0.266	S	S	.	.			trans	-113.3	2.6	-175.1	63.7	171.1	0	0	0	114.2	A32 G33 Q59 G65 Q69	A32-I61 HydrophobicContact CB-CD1 3.8Å; A32-I61 HydrophobicContact CB-CG1 4.17Å; G33-I61 PolarHBondContact O-N 3.26Å; Q59-I61 HydrophobicContact CB-CG2 4.17Å; Q59-I61 PolarHBondContact O-N 3.46Å; I61-G65 VanDerWaalsContact CD1-C 3.5Å; I61-Q69 HydrophobicContact CD1-CG 4.09Å; I61-Q69 VanDerWaalsContact CD1-NE2 3.33Å
62	G	98	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.			trans	90.5	147.8	-171.5	0	0	0	0	0	112.4	G33 S64 G65 G66	G33-G62 CarbonylContact C-O 3.59Å; G33-G62 WeakPolarHBondContact CA-O 3.3Å; G33-G62 CarbonylContact O-C 3.52Å; G33-G62 WeakPolarHBondContact O-CA 3.41Å; G33-G62 PolarHBondContact O-N 3.5Å; G62-S64 VanDerWaalsContact C-N 3.33Å; G62-S64 PolarHBondContact O-N 3.3Å; G62-G65 WeakPolarHBondContact O-CA 3.48Å; G62-G65 PolarHBondContact O-N 3.09Å; G62-G66 PolarHBondContact O-N 3.38Å
63	S	98.7	Very high	98.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-40.8	-171.4	-39.9	0	0	0	0	112.1	G65 G66 V67 S80 D81 G163 G165	S63-G65 VanDerWaalsContact C-N 3.3Å; S63-G65 PolarHBondContact O-N 2.9Å; S63-G66 PolarHBondContact O-N 3.23Å; S63-V67 WeakPolarHBondContact O-CG2 3.33Å; S63-V67 PolarHBondContact O-N 3.2Å; S63-S80 WeakPolarHBondContact CB-OG 3.13Å; S63-D81 PolarHBondContact OG-OD2 3.23Å; S63-G163 PolarHBondContact N-O 3.23Å; S63-G165 VanDerWaalsContact CB-N 3.33Å; S63-G165 WeakPolarHBondContact OG-CA 3.48Å; S63-G165 PolarHBondContact OG-N 3.23Å
64	S	98.5	Very high	98.4	Very high	50 Å²	50	50.6 Å²	50.6	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-34.3	174.7	-59.8	0	0	0	0	112.9	G62 K68 G163	G62-S64 VanDerWaalsContact C-N 3.33Å; G62-S64 PolarHBondContact O-N 3.3Å; S64-K68 PolarHBondContact O-N 2.91Å; S64-G163 WeakPolarHBondContact CB-O 3.15Å; S64-G163 PolarHBondContact N-O 3.41Å; S64-G163 VanDerWaalsContact N-O 3.14Å; S64-G163 WeakPolarHBondContact OG-CA 3.29Å; S64-G163 PolarHBondContact OG-O 3.34Å
65	G	98.4	Very high	98.5	Very high	23 Å²	23	50.5 Å²	50.5	24%	0.237	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-42.6	173.9	0	0	0	0	0	112	I61 G62 S63 K68 Q69	I61-G65 VanDerWaalsContact CD1-C 3.5Å; G62-G65 WeakPolarHBondContact O-CA 3.48Å; G62-G65 PolarHBondContact O-N 3.09Å; S63-G65 VanDerWaalsContact C-N 3.3Å; S63-G65 PolarHBondContact O-N 2.9Å; G65-K68 PolarHBondContact O-N 3.42Å; G65-Q69 WeakPolarHBondContact O-CG 3.24Å; G65-Q69 PolarHBondContact O-N 3.49Å
66	G	98.7	Very high	98.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-47.8	176.7	0	0	0	0	0	112.8	A32 G33 G62 S63 K68 Q69 I70	A32-G66 WeakPolarHBondContact O-CA 3.49Å; G33-G66 VanDerWaalsContact CA-CA 3.46Å; G62-G66 PolarHBondContact O-N 3.38Å; S63-G66 PolarHBondContact O-N 3.23Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.31Å; G66-Q69 PolarHBondContact O-N 2.88Å; G66-I70 WeakPolarHBondContact O-CG2 3.44Å; G66-I70 PolarHBondContact O-N 3.25Å
67	V	98.8	Very high	98.5	Very high	27 Å²	27	46.9 Å²	46.9	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-44.6	175	176.2	0	0	0	0	111.2	S63 Q69 I70 I71 L84 L284	S63-V67 WeakPolarHBondContact O-CG2 3.33Å; S63-V67 PolarHBondContact O-N 3.2Å; V67-Q69 PolarHBondContact O-N 3.11Å; V67-I70 VanDerWaalsContact O-CG2 3.29Å; V67-I70 WeakPolarHBondContact O-CG2 3.49Å; V67-I71 HydrophobicContact CG1-CD1 3.81Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.25Å; V67-I71 PolarHBondContact O-N 3.49Å; V67-L84 HydrophobicContact CG1-CD2 4.3Å; V67-L84 HydrophobicContact CG2-CD1 3.87Å; V67-L284 HydrophobicContact CG2-CD1 3.74Å
68	K	98.6	Very high	98.6	Very high	161 Å²	161	43 Å²	43	70%	0.7	25%	0.246	S	C	*	.	H	α-helix	trans	-62.3	-42.9	177.8	-176.9	179	177.4	-179.6	0	112.2	S64 G65 G66 A72	S64-K68 PolarHBondContact O-N 2.91Å; G65-K68 PolarHBondContact O-N 3.42Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.31Å; K68-A72 VanDerWaalsContact O-CB 3.25Å; K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.46Å
69	Q	98.8	Very high	98.6	Very high	63 Å²	63	41.4 Å²	41.4	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-71	-38.2	-177.2	-75.5	-165.1	4.9	0	0	113.2	I61 G65 G66 V67 A72 N73 T74 V75	I61-Q69 HydrophobicContact CD1-CG 4.09Å; I61-Q69 VanDerWaalsContact CD1-NE2 3.33Å; G65-Q69 WeakPolarHBondContact O-CG 3.24Å; G65-Q69 PolarHBondContact O-N 3.49Å; G66-Q69 PolarHBondContact O-N 2.88Å; V67-Q69 PolarHBondContact O-N 3.11Å; Q69-A72 CarbonylContact O-C 3.55Å; Q69-A72 PolarHBondContact O-N 2.91Å; Q69-N73 PolarHBondContact O-N 3.45Å; Q69-N73 VanDerWaalsContact O-N 3.12Å; Q69-T74 WeakPolarHBondContact CA-OG1 3.47Å; Q69-T74 VanDerWaalsContact CB-OG1 3.27Å; Q69-T74 WeakPolarHBondContact CB-OG1 3.44Å; Q69-T74 WeakPolarHBondContact CG-OG1 3.49Å; Q69-T74 PolarHBondContact O-N 3.19Å; Q69-T74 PolarHBondContact O-OG1 3.41Å; Q69-V75 HydrophobicContact CB-CG1 4.39Å; Q69-V75 HydrophobicContact CB-CG2 3.94Å
70	I	98.8	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-41.5	176.5	-172.3	58.4	0	0	0	111.6	G66 V67 A72 N73 V75 L94 L284 H286	G66-I70 WeakPolarHBondContact O-CG2 3.44Å; G66-I70 PolarHBondContact O-N 3.25Å; V67-I70 VanDerWaalsContact O-CG2 3.29Å; V67-I70 WeakPolarHBondContact O-CG2 3.49Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.02Å; I70-N73 PolarHBondContact O-N 2.89Å; I70-V75 HydrophobicContact CB-CG2 4.36Å; I70-V75 HydrophobicContact CD1-CG2 4.49Å; I70-L94 HydrophobicContact CG1-CD2 3.89Å; I70-L94 HydrophobicContact CG2-CD1 4.23Å; I70-L284 HydrophobicContact CG1-CB 4.46Å; I70-L284 HydrophobicContact CG2-CB 4.12Å; I70-L284 HydrophobicContact CG2-CD1 4.21Å; I70-H286 PolarHBondContact O-NE2 3.14Å
71	I	98.7	Very high	98.6	Very high	55 Å²	55	35 Å²	35	28%	0.282	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-41.1	173.5	-68.8	170.5	0	0	0	110.5	V67 N73 E92 L94	V67-I71 HydrophobicContact CG1-CD1 3.81Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.25Å; V67-I71 PolarHBondContact O-N 3.49Å; I71-N73 PolarHBondContact O-N 3.12Å; I71-N73 PolarHBondContact O-ND2 2.98Å; I71-E92 HydrophobicContact CD1-CG 3.88Å; I71-E92 HydrophobicContact CG1-CB 4.38Å; I71-E92 HydrophobicContact CG1-CG 4.15Å; I71-E92 WeakPolarHBondContact CG2-OE2 3.5Å; I71-L94 HydrophobicContact CG1-CD1 4.07Å
72	A	98.6	Very high	98.6	Very high	60 Å²	60	32.8 Å²	32.8	50%	0.496	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	0.4	176.7	0	0	0	0	0	114.4	K68 Q69 I70 T74	K68-A72 VanDerWaalsContact O-CB 3.25Å; K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.46Å; Q69-A72 CarbonylContact O-C 3.55Å; Q69-A72 PolarHBondContact O-N 2.91Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.02Å; A72-T74 HydrophobicContact CB-CG2 3.98Å; A72-T74 PolarHBondContact O-N 3.18Å
73	N	98.2	Very high	98.6	Very high	106 Å²	106	34.7 Å²	34.7	57%	0.567	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.8	-177.6	-67.8	-86.8	0	0	0	114.5	Q69 I70 I71 H286	Q69-N73 PolarHBondContact O-N 3.45Å; Q69-N73 VanDerWaalsContact O-N 3.12Å; I70-N73 PolarHBondContact O-N 2.89Å; I71-N73 PolarHBondContact O-N 3.12Å; I71-N73 PolarHBondContact O-ND2 2.98Å; N73-H286 PolarHBondContact OD1-CD2 2.7Å; N73-H286 PolarHBondContact OD1-NE2 3.37Å; N73-H286 VanDerWaalsContact OD1-NE2 3.11Å
74	T	98.3	Very high	98.6	Very high	86 Å²	86	35.7 Å²	35.7	53%	0.528	21%	0.207	S	C	.	.			trans	-90.4	-7.6	-179.9	62.9	0	0	0	0	113.5	Q69 A72	Q69-T74 WeakPolarHBondContact CA-OG1 3.47Å; Q69-T74 VanDerWaalsContact CB-OG1 3.27Å; Q69-T74 WeakPolarHBondContact CB-OG1 3.44Å; Q69-T74 WeakPolarHBondContact CG-OG1 3.49Å; Q69-T74 PolarHBondContact O-N 3.19Å; Q69-T74 PolarHBondContact O-OG1 3.41Å; A72-T74 HydrophobicContact CB-CG2 3.98Å; A72-T74 PolarHBondContact O-N 3.18Å
75	V	98.7	Very high	98.6	Very high	17 Å²	17	36.6 Å²	36.6	10%	0.103	21%	0.213	C	C	.	.	S	Bend	trans	-139.4	155.2	178.6	-67.2	0	0	0	0	109.6	T30 A32 Q69 I70 F77	T30-V75 WeakPolarHBondContact OG1-CA 3.39Å; A32-V75 HydrophobicContact CB-CG1 3.94Å; Q69-V75 HydrophobicContact CB-CG1 4.39Å; Q69-V75 HydrophobicContact CB-CG2 3.94Å; I70-V75 HydrophobicContact CB-CG2 4.36Å; I70-V75 HydrophobicContact CD1-CG2 4.49Å; V75-F77 VanDerWaalsContact C-N 3.34Å; V75-F77 VanDerWaalsContact CG2-O 3.26Å; V75-F77 WeakPolarHBondContact CG2-O 3.47Å
76	D	98.7	Very high	98.5	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.128	23%	0.233	C	C	.	.	S	Bend	trans	-73	-28.5	177.9	-53.5	-74.9	0	0	0	111.8	L29 T30 Q294 V298	L29-D76 WeakPolarHBondContact CA-OD2 3.16Å; T30-D76 PolarHBondContact N-OD2 2.84Å; T30-D76 WeakPolarHBondContact O-CA 3.48Å; T30-D76 WeakPolarHBondContact O-CB 3.44Å; T30-D76 PolarHBondContact O-N 3.3Å; T30-D76 PolarHBondContact OG1-N 2.83Å; T30-D76 PolarHBondContact OG1-OD2 3.17Å; D76-Q294 WeakPolarHBondContact OD1-CB 3.25Å; D76-Q294 WeakPolarHBondContact OD1-CG 3.34Å; D76-Q294 PolarHBondContact OD1-NE2 2.75Å; D76-Q294 PolarHBondContact OD2-NE2 2.78Å; D76-V298 HydrophobicContact CB-CG2 3.89Å
77	F	98.9	Very high	98.5	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.3	172	64.8	-86.3	0	0	0	113.3	T30 G31 A32 V56 Y58 V75 I283 L284 V285 V298 F302	T30-F77 PolarHBondContact O-N 3.38Å; G31-F77 VanDerWaalsContact CA-O 3.23Å; G31-F77 WeakPolarHBondContact CA-O 3.39Å; A32-F77 PolarHBondContact N-O 3.33Å; V56-F77 HydrophobicContact CG1-CE1 4.13Å; V56-F77 HydrophobicContact CG1-CZ 3.99Å; Y58-F77 AromaticContact CD2-CE2 3.82Å; Y58-F77 HydrophobicContact CD2-CE2 3.82Å; Y58-F77 HydrophobicContact CD2-CZ 4.14Å; Y58-F77 HydrophobicContact CE2-CE2 4.05Å; V75-F77 VanDerWaalsContact C-N 3.34Å; V75-F77 VanDerWaalsContact CG2-O 3.26Å; V75-F77 WeakPolarHBondContact CG2-O 3.47Å; F77-I283 HydrophobicContact CB-CG2 3.96Å; F77-I283 HydrophobicContact CD2-CD1 3.99Å; F77-I283 HydrophobicContact CD2-CG2 4.08Å; F77-I283 HydrophobicContact CE2-CD1 4.17Å; F77-I283 HydrophobicContact CG-CG2 4.34Å; F77-L284 CarbonylContact C-O 3.55Å; F77-L284 WeakPolarHBondContact CA-O 3.28Å; F77-V285 HydrophobicContact CB-CG1 3.95Å; F77-V298 HydrophobicContact CB-CG1 4.14Å; F77-V298 HydrophobicContact CD1-CG1 4.15Å; F77-V298 HydrophobicContact CD1-CG2 3.9Å; F77-V298 HydrophobicContact CG-CG1 4.37Å; F77-F302 HydrophobicContact CD2-CE2 4.16Å; F77-F302 HydrophobicContact CD2-CZ 4.11Å; F77-F302 HydrophobicContact CE2-CE2 4.18Å; F77-F302 AromaticContact CE2-CZ 3.81Å; F77-F302 HydrophobicContact CE2-CZ 3.81Å; F77-F302 HydrophobicContact CG-CE2 4.32Å; F77-F302 HydrophobicContact CZ-CE2 4.38Å; F77-F302 HydrophobicContact CZ-CZ 4.18Å
78	G	98.9	Very high	98.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	160.4	169.7	0	0	0	0	0	111.5	A32 I283 L284	A32-G78 CarbonylContact O-C 3.54Å; A32-G78 WeakPolarHBondContact O-CA 3.34Å; G78-I283 CarbonylContact O-C 3.59Å; G78-I283 WeakPolarHBondContact O-CA 3.32Å; G78-L284 PolarHBondContact N-O 2.98Å; G78-L284 PolarHBondContact O-N 3.36Å
79	A	98.9	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.2	174.3	0	0	0	0	0	111.9	A32 G33 A34 Y41 Y58 F282 I283	A32-A79 PolarHBondContact O-N 2.93Å; G33-A79 WeakPolarHBondContact CA-O 3.42Å; A34-A79 HydrophobicContact CB-CB 4.38Å; A34-A79 PolarHBondContact N-O 2.67Å; Y41-A79 HydrophobicContact CE2-CB 4.37Å; Y58-A79 HydrophobicContact CE2-CB 3.83Å; Y58-A79 WeakPolarHBondContact OH-CB 3.38Å; A79-F282 CarbonylContact C-O 3.36Å; A79-F282 VanDerWaalsContact CA-O 3.3Å; A79-F282 WeakPolarHBondContact CA-O 3.04Å; A79-I283 HydrophobicContact CB-CD1 4.03Å
80	S	98.8	Very high	98.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137.3	-179.8	-176	0	0	0	0	112.1	S63 A82 F282	S63-S80 WeakPolarHBondContact CB-OG 3.13Å; S80-A82 PolarHBondContact OG-N 2.94Å; S80-A82 PolarHBondContact OG-O 3.41Å; S80-F282 PolarHBondContact N-O 3.44Å; S80-F282 WeakPolarHBondContact O-CA 3.27Å; S80-F282 VanDerWaalsContact O-CB 3.28Å; S80-F282 WeakPolarHBondContact O-CB 3.49Å; S80-F282 WeakPolarHBondContact O-CD2 3.44Å; S80-F282 PolarHBondContact O-N 3.15Å
81	D	98.7	Very high	98.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-86.4	-19.8	171.8	-28.3	-64.9	0	0	0	111.6	A34 F36 S63 P83 G165 T166 T281	A34-D81 WeakPolarHBondContact CB-OD1 3.48Å; A34-D81 WeakPolarHBondContact CB-OD2 3.43Å; F36-D81 WeakPolarHBondContact CB-OD1 3.16Å; S63-D81 PolarHBondContact OG-OD2 3.23Å; D81-P83 WeakPolarHBondContact O-CD 3.48Å; D81-G165 VanDerWaalsContact OD2-CA 3.28Å; D81-G165 WeakPolarHBondContact OD2-CA 3.42Å; D81-T166 PolarHBondContact OD2-N 3.24Å; D81-T281 WeakPolarHBondContact OD1-CB 3.48Å; D81-T281 PolarHBondContact OD1-OG1 2.95Å
82	A	98.4	Very high	98.4	Very high	11 Å²	11	50.7 Å²	50.7	9%	0.091	29%	0.288	C	S	.	.	S	Bend	trans	-88.1	114.2	170.8	0	0	0	0	0	108.1	S80 F168	S80-A82 PolarHBondContact OG-N 2.94Å; S80-A82 PolarHBondContact OG-O 3.41Å; A82-F168 HydrophobicContact CB-CB 3.91Å; A82-F168 HydrophobicContact CB-CD1 3.65Å; A82-F168 HydrophobicContact CB-CD2 4.22Å; A82-F168 HydrophobicContact CB-CE1 4.23Å; A82-F168 HydrophobicContact CB-CG 3.65Å
83	P	98.3	Very high	98.4	Very high	41 Å²	41	49.3 Å²	49.3	27%	0.266	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-66.4	142.9	179	27.1	-32.3	0	0	0	110.3	D81 A263 F282	D81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-A263 HydrophobicContact CB-CB 3.65Å; P83-A263 HydrophobicContact CG-CB 3.93Å; P83-F282 HydrophobicContact CB-CD2 4.16Å; P83-F282 HydrophobicContact CB-CE2 3.69Å; P83-F282 HydrophobicContact CB-CZ 3.98Å; P83-F282 HydrophobicContact CG-CE2 4.08Å; P83-F282 HydrophobicContact CG-CZ 4.45Å
84	L	98.3	Very high	98.5	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.11	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.9	147.5	167	-78.6	61.8	0	0	0	108.7	V67 K88 L89 L94 L284	V67-L84 HydrophobicContact CG1-CD2 4.3Å; V67-L84 HydrophobicContact CG2-CD1 3.87Å; L84-K88 HydrophobicContact CB-CB 4.45Å; L84-K88 HydrophobicContact CD2-CG 4.11Å; L84-K88 HydrophobicContact CG-CG 4.33Å; L84-L89 HydrophobicContact CB-CD1 4.46Å; L84-L89 HydrophobicContact CB-CD2 3.78Å; L84-L89 HydrophobicContact CB-CG 3.78Å; L84-L89 HydrophobicContact CD2-CD2 3.97Å; L84-L89 HydrophobicContact CG-CD2 4.49Å; L84-L94 HydrophobicContact CD2-CD1 4.21Å; L84-L284 HydrophobicContact CD1-CD1 3.94Å; L84-L284 HydrophobicContact CD1-CD2 4.35Å; L84-L284 HydrophobicContact CD2-CD1 4.3Å; L84-L284 HydrophobicContact CD2-CD2 4.35Å
85	S	97.6	Very high	98.5	Very high	68 Å²	68	41 Å²	41	48%	0.476	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-66.8	154.3	170.9	63.1	0	0	0	0	110.9	E87 K88 L89	S85-E87 PolarHBondContact O-N 3.24Å; S85-K88 PolarHBondContact O-N 3.39Å; S85-K88 WeakPolarHBondContact OG-CB 3.43Å; S85-K88 PolarHBondContact OG-N 3.1Å; S85-L89 WeakPolarHBondContact O-CG 3.23Å; S85-L89 PolarHBondContact O-N 2.99Å
86	D	97.3	Very high	98.5	Very high	123 Å²	123	40.7 Å²	40.7	66%	0.658	23%	0.228	S	C	*	.	H	α-helix	trans	-56.7	-37.2	176.5	-65.5	-28.2	0	0	0	112	L89 A90	D86-L89 PolarHBondContact O-N 3.45Å; D86-A90 WeakPolarHBondContact O-CB 3.41Å; D86-A90 PolarHBondContact O-N 3.43Å
87	E	98	Very high	98.5	Very high	161 Å²	161	39.6 Å²	39.6	75%	0.752	22%	0.222	S	C	*	.	H	α-helix	trans	-60.8	-45.6	173.8	-176	-178.2	-177.6	0	0	111.7	S85 A90 Q91	S85-E87 PolarHBondContact O-N 3.24Å; E87-A90 PolarHBondContact O-N 3.02Å; E87-Q91 WeakPolarHBondContact O-CB 3.3Å; E87-Q91 PolarHBondContact O-N 2.84Å
88	K	98.2	Very high	98.5	Very high	67 Å²	67	39.5 Å²	39.5	29%	0.291	22%	0.222	S	C	.	.	H	α-helix	trans	-69.2	-39	179.3	-173.9	53.8	169.9	174.8	0	111.9	L84 S85 A90 Q91 E92	L84-K88 HydrophobicContact CB-CB 4.45Å; L84-K88 HydrophobicContact CD2-CG 4.11Å; L84-K88 HydrophobicContact CG-CG 4.33Å; S85-K88 PolarHBondContact O-N 3.39Å; S85-K88 WeakPolarHBondContact OG-CB 3.43Å; S85-K88 PolarHBondContact OG-N 3.1Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-Q91 VanDerWaalsContact CD-OE1 3.3Å; K88-Q91 PolarHBondContact O-N 3.47Å; K88-E92 HydrophobicContact CD-CG 3.96Å; K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.5Å; K88-E92 IonicContact NZ-OE1 2.82Å; K88-E92 PolarHBondContact NZ-OE1 3.37Å; K88-E92 WeakPolarHBondContact O-CG 3.35Å; K88-E92 PolarHBondContact O-N 3.48Å
89	L	98.7	Very high	98.5	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-43.8	174.1	-70.5	170.7	0	0	0	111.1	L84 S85 D86 E92 G93 L94 Q96 L284	L84-L89 HydrophobicContact CB-CD1 4.46Å; L84-L89 HydrophobicContact CB-CD2 3.78Å; L84-L89 HydrophobicContact CB-CG 3.78Å; L84-L89 HydrophobicContact CD2-CD2 3.97Å; L84-L89 HydrophobicContact CG-CD2 4.49Å; S85-L89 WeakPolarHBondContact O-CG 3.23Å; S85-L89 PolarHBondContact O-N 2.99Å; D86-L89 PolarHBondContact O-N 3.45Å; L89-E92 PolarHBondContact O-N 3.16Å; L89-G93 PolarHBondContact O-N 2.88Å; L89-L94 HydrophobicContact CD2-CB 3.82Å; L89-L94 PolarHBondContact O-N 3.03Å; L89-Q96 HydrophobicContact CD1-CB 3.83Å; L89-Q96 HydrophobicContact CD2-CB 3.92Å; L89-L284 HydrophobicContact CD2-CD2 3.82Å
90	A	98.3	Very high	98.5	Very high	72 Å²	72	39.7 Å²	39.7	60%	0.595	22%	0.223	S	C	*	.	H	α-helix	trans	-64.9	-44.2	175.7	0	0	0	0	0	112.1	D86 E87 K88 E92 G93	D86-A90 WeakPolarHBondContact O-CB 3.41Å; D86-A90 PolarHBondContact O-N 3.43Å; E87-A90 PolarHBondContact O-N 3.02Å; K88-A90 VanDerWaalsContact C-N 3.34Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 3.4Å; A90-G93 PolarHBondContact O-N 3.04Å
91	Q	98.4	Very high	98.5	Very high	137 Å²	137	39.7 Å²	39.7	64%	0.64	22%	0.223	S	C	*	.	H	α-helix	trans	-58	-42.9	177.6	-176	-174.8	22.9	0	0	112.1	E87 K88	E87-Q91 WeakPolarHBondContact O-CB 3.3Å; E87-Q91 PolarHBondContact O-N 2.84Å; K88-Q91 VanDerWaalsContact CD-OE1 3.3Å; K88-Q91 PolarHBondContact O-N 3.47Å
92	E	98.6	Very high	98.5	Very high	52 Å²	52	39.7 Å²	39.7	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-90.7	-1.4	-176.7	-61.5	-62.4	162.4	0	0	113.5	I71 K88 L89 A90 L94	I71-E92 HydrophobicContact CD1-CG 3.88Å; I71-E92 HydrophobicContact CG1-CB 4.38Å; I71-E92 HydrophobicContact CG1-CG 4.15Å; I71-E92 WeakPolarHBondContact CG2-OE2 3.5Å; K88-E92 HydrophobicContact CD-CG 3.96Å; K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.5Å; K88-E92 IonicContact NZ-OE1 2.82Å; K88-E92 PolarHBondContact NZ-OE1 3.37Å; K88-E92 WeakPolarHBondContact O-CG 3.35Å; K88-E92 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 3.16Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 3.4Å; E92-L94 VanDerWaalsContact C-N 3.25Å; E92-L94 HydrophobicContact CB-CD1 3.85Å; E92-L94 HydrophobicContact CB-CG 3.81Å; E92-L94 PolarHBondContact O-N 3.04Å
93	G	98.5	Very high	98.5	Very high	30 Å²	30	39.1 Å²	39.1	31%	0.309	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	27.8	-176.3	0	0	0	0	0	113.7	L89 A90 K287	L89-G93 PolarHBondContact O-N 2.88Å; A90-G93 PolarHBondContact O-N 3.04Å; G93-K287 WeakPolarHBondContact O-CB 3.48Å; G93-K287 PolarHBondContact O-N 2.81Å
94	L	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	155	-176.8	-64	177	0	0	0	112.2	I70 I71 L84 L89 E92 V285 K287	I70-L94 HydrophobicContact CG1-CD2 3.89Å; I70-L94 HydrophobicContact CG2-CD1 4.23Å; I71-L94 HydrophobicContact CG1-CD1 4.07Å; L84-L94 HydrophobicContact CD2-CD1 4.21Å; L89-L94 HydrophobicContact CD2-CB 3.82Å; L89-L94 PolarHBondContact O-N 3.03Å; E92-L94 VanDerWaalsContact C-N 3.25Å; E92-L94 HydrophobicContact CB-CD1 3.85Å; E92-L94 HydrophobicContact CB-CG 3.81Å; E92-L94 PolarHBondContact O-N 3.04Å; L94-V285 CarbonylContact C-O 3.43Å; L94-V285 WeakPolarHBondContact CA-O 3.41Å; L94-K287 VanDerWaalsContact O-CE 3.26Å; L94-K287 WeakPolarHBondContact O-CE 3.12Å
95	F	98.8	Very high	98.6	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.8	166.6	179.9	-100	0	0	0	109.4	F97 F262 L284 V285 K287 A332 W333 N336 I337	F95-F97 AromaticContact CD1-CD1 3.93Å; F95-F97 HydrophobicContact CD1-CD1 3.93Å; F95-F97 HydrophobicContact CE1-CB 3.94Å; F95-F97 AromaticContact CE1-CD1 3.81Å; F95-F97 HydrophobicContact CE1-CD1 3.81Å; F95-F97 HydrophobicContact CE1-CG 4.32Å; F95-F262 HydrophobicContact CZ-CE2 4.22Å; F95-L284 WeakPolarHBondContact O-CA 3.41Å; F95-V285 HydrophobicContact CB-CG2 4.18Å; F95-V285 HydrophobicContact CD1-CG2 4.27Å; F95-V285 PolarHBondContact N-O 3.23Å; F95-V285 PolarHBondContact O-N 3.46Å; F95-K287 HydrophobicContact CB-CG 3.88Å; F95-A332 HydrophobicContact CE2-CB 3.86Å; F95-A332 HydrophobicContact CZ-CB 3.47Å; F95-A332 VanDerWaalsContact CZ-CB 3.47Å; F95-W333 AromaticContact CD1-CD1 3.94Å; F95-W333 AromaticContact CE1-CD1 3.37Å; F95-W333 AromaticContact CE1-NE1 3.62Å; F95-N336 HydrophobicContact CD2-CB 3.68Å; F95-N336 HydrophobicContact CE2-CB 4.11Å; F95-N336 HydrophobicContact CG-CB 4.16Å; F95-I337 HydrophobicContact CB-CD1 3.57Å; F95-I337 HydrophobicContact CD1-CD1 3.85Å; F95-I337 HydrophobicContact CD1-CG1 4.49Å; F95-I337 HydrophobicContact CG-CD1 3.83Å
96	Q	98.8	Very high	98.6	Very high	11 Å²	11	33 Å²	33	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.4	-176.5	-173.8	178.4	-87.9	0	0	110.5	L89 F282 I283 L284	L89-Q96 HydrophobicContact CD1-CB 3.83Å; L89-Q96 HydrophobicContact CD2-CB 3.92Å; Q96-F282 HydrophobicContact CG-CB 3.59Å; Q96-F282 HydrophobicContact CG-CD1 3.7Å; Q96-F282 HydrophobicContact CG-CG 3.8Å; Q96-I283 VanDerWaalsContact CA-O 3.32Å; Q96-I283 WeakPolarHBondContact CA-O 3.43Å; Q96-L284 HydrophobicContact CB-CD2 3.74Å; Q96-L284 HydrophobicContact CG-CD2 3.8Å
97	F	98.8	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.1	172.1	59.1	-89.1	0	0	0	111.9	F95 T99 F282 I283 V285 F302 Y306 V329 W333	F95-F97 AromaticContact CD1-CD1 3.93Å; F95-F97 HydrophobicContact CD1-CD1 3.93Å; F95-F97 HydrophobicContact CE1-CB 3.94Å; F95-F97 AromaticContact CE1-CD1 3.81Å; F95-F97 HydrophobicContact CE1-CD1 3.81Å; F95-F97 HydrophobicContact CE1-CG 4.32Å; F97-T99 HydrophobicContact CD2-CG2 4.4Å; F97-T99 HydrophobicContact CE2-CG2 4.21Å; F97-F282 CarbonylContact O-C 3.51Å; F97-F282 VanDerWaalsContact O-CA 3.26Å; F97-F282 WeakPolarHBondContact O-CA 3.49Å; F97-I283 HydrophobicContact CD1-CB 4.35Å; F97-I283 HydrophobicContact CD2-CB 4.14Å; F97-I283 HydrophobicContact CE1-CB 3.83Å; F97-I283 HydrophobicContact CE1-CG2 3.69Å; F97-I283 HydrophobicContact CE2-CB 3.58Å; F97-I283 HydrophobicContact CE2-CG1 3.86Å; F97-I283 HydrophobicContact CE2-CG2 4.06Å; F97-I283 HydrophobicContact CZ-CB 3.44Å; F97-I283 VanDerWaalsContact CZ-CB 3.44Å; F97-I283 HydrophobicContact CZ-CG1 4.07Å; F97-I283 HydrophobicContact CZ-CG2 3.39Å; F97-I283 PolarHBondContact N-O 2.96Å; F97-I283 VanDerWaalsContact N-O 3.09Å; F97-I283 PolarHBondContact O-N 3.06Å; F97-V285 HydrophobicContact CE1-CG1 4.35Å; F97-V285 HydrophobicContact CE1-CG2 4.24Å; F97-F302 HydrophobicContact CE2-CB 4.06Å; F97-F302 HydrophobicContact CE2-CD1 4.31Å; F97-F302 HydrophobicContact CE2-CD2 4.07Å; F97-F302 AromaticContact CE2-CG 3.88Å; F97-F302 HydrophobicContact CE2-CG 3.88Å; F97-F302 HydrophobicContact CZ-CB 4.36Å; F97-F302 AromaticContact CZ-CD2 3.78Å; F97-F302 HydrophobicContact CZ-CD2 3.78Å; F97-F302 HydrophobicContact CZ-CE2 4.32Å; F97-F302 HydrophobicContact CZ-CG 4.06Å; F97-Y306 WeakPolarHBondContact CD2-OH 3.42Å; F97-V329 HydrophobicContact CB-CG1 3.8Å; F97-V329 HydrophobicContact CB-CG2 4.01Å; F97-V329 HydrophobicContact CD2-CG1 4.13Å; F97-V329 HydrophobicContact CG-CG1 4.07Å; F97-W333 HydrophobicContact CD1-CZ2 4.26Å; F97-W333 AromaticContact CD1-NE1 3.26Å; F97-W333 VanDerWaalsContact CD1-NE1 3.26Å; F97-W333 AromaticContact CD2-CZ2 3.82Å; F97-W333 HydrophobicContact CD2-CZ2 3.82Å; F97-W333 HydrophobicContact CE1-CZ2 4.05Å; F97-W333 AromaticContact CE1-NE1 3.51Å; F97-W333 AromaticContact CE2-CZ2 3.6Å; F97-W333 HydrophobicContact CE2-CZ2 3.6Å; F97-W333 HydrophobicContact CG-CZ2 4.12Å; F97-W333 AromaticContact CG-NE1 3.63Å; F97-W333 AromaticContact CZ-CZ2 3.69Å; F97-W333 HydrophobicContact CZ-CZ2 3.69Å
98	P	98.8	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	156	178.8	32.8	-31	0	0	0	110.5	W258 F262 T280 T281 F282 Y306 L321 V325 V329	P98-W258 HydrophobicContact CB-CZ3 4.45Å; P98-W258 HydrophobicContact CG-CZ3 4.34Å; P98-F262 HydrophobicContact CG-CB 4.11Å; P98-F262 HydrophobicContact CG-CD1 4.04Å; P98-F262 HydrophobicContact CG-CG 4.12Å; P98-T280 HydrophobicContact CB-CG2 4.2Å; P98-T280 WeakPolarHBondContact CB-OG1 3.43Å; P98-T281 CarbonylContact C-O 3.51Å; P98-T281 VanDerWaalsContact CA-O 3.24Å; P98-T281 WeakPolarHBondContact CA-O 3.5Å; P98-F282 HydrophobicContact CB-CD1 3.94Å; P98-F282 HydrophobicContact CB-CE1 3.87Å; P98-Y306 PolarHBondContact O-OH 3.44Å; P98-L321 HydrophobicContact CB-CD1 3.93Å; P98-L321 HydrophobicContact CB-CD2 4.36Å; P98-L321 HydrophobicContact CG-CD1 3.83Å; P98-L321 WeakPolarHBondContact O-CD1 3.22Å; P98-V325 HydrophobicContact CG-CG1 4.16Å; P98-V329 HydrophobicContact CG-CG2 4.38Å
99	T	98.9	Very high	98.8	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-57.4	178.9	53.5	0	0	0	0	114.2	Y41 F97 T281 I283 F302 L321	Y41-T99 HydrophobicContact CE1-CG2 4.32Å; Y41-T99 WeakPolarHBondContact OH-CG2 3.19Å; Y41-T99 PolarHBondContact OH-OG1 2.87Å; F97-T99 HydrophobicContact CD2-CG2 4.4Å; F97-T99 HydrophobicContact CE2-CG2 4.21Å; T99-T281 PolarHBondContact N-O 3Å; T99-T281 WeakPolarHBondContact OG1-CG2 3.48Å; T99-T281 PolarHBondContact OG1-O 2.98Å; T99-I283 HydrophobicContact CG2-CD1 4.45Å; T99-I283 HydrophobicContact CG2-CG1 3.55Å; T99-F302 HydrophobicContact CG2-CD1 3.92Å; T99-F302 HydrophobicContact CG2-CE1 4.01Å; T99-L321 VanDerWaalsContact O-CD1 3.3Å; T99-L321 WeakPolarHBondContact O-CD1 3.4Å; T99-L321 WeakPolarHBondContact O-CG 3.48Å
100	V	98.8	Very high	98.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.6	-177.2	-62.2	0	0	0	0	110.5	P37 V40 W44 T280 T281 A313 Y318	P37-V100 HydrophobicContact CB-CG2 4.44Å; V40-V100 HydrophobicContact CG1-CG2 4.16Å; W44-V100 HydrophobicContact CH2-CG1 3.4Å; W44-V100 VanDerWaalsContact CH2-CG1 3.4Å; W44-V100 HydrophobicContact CZ2-CG1 3.89Å; W44-V100 HydrophobicContact CZ3-CG1 4.31Å; V100-T280 WeakPolarHBondContact O-CA 3.27Å; V100-T280 PolarHBondContact O-OG1 2.76Å; V100-T280 VanDerWaalsContact O-OG1 3.14Å; V100-T281 HydrophobicContact CG2-CG2 3.77Å; V100-T281 PolarHBondContact O-N 3.02Å; V100-A313 HydrophobicContact CG1-CB 4.34Å; V100-Y318 HydrophobicContact CB-CD1 4.49Å; V100-Y318 HydrophobicContact CG2-CD1 3.82Å; V100-Y318 HydrophobicContact CG2-CE1 4.47Å; V100-Y318 HydrophobicContact CG2-CG 4.23Å
101	I	98.9	Very high	98.5	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.5	174.1	-60.9	159.5	0	0	0	108.4	F249 A253 L266 T278 Y318 A319 L321	I101-F249 HydrophobicContact CG2-CB 4.2Å; I101-A253 HydrophobicContact CD1-CB 3.65Å; I101-L266 HydrophobicContact CG1-CD1 4.39Å; I101-L266 HydrophobicContact CG2-CD1 4.21Å; I101-T278 HydrophobicContact CG2-CG2 3.46Å; I101-T278 VanDerWaalsContact CG2-CG2 3.46Å; I101-Y318 CarbonylContact O-C 3.59Å; I101-Y318 WeakPolarHBondContact O-CA 3.41Å; I101-A319 HydrophobicContact CB-CB 4.1Å; I101-A319 PolarHBondContact N-O 2.93Å; I101-A319 PolarHBondContact O-N 3.32Å; I101-L321 HydrophobicContact CD1-CD2 4Å; I101-L321 HydrophobicContact CG1-CD2 3.95Å
102	G	98.7	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	175.8	174.3	0	0	0	0	0	112.1	S279	G102-S279 PolarHBondContact N-O 3.22Å; G102-S279 PolarHBondContact O-N 2.89Å
103	G	98.8	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.1	178.9	0	0	0	0	0	112.6	E220 Y221	G103-E220 WeakPolarHBondContact O-CA 3.36Å; G103-Y221 PolarHBondContact O-N 2.76Å
104	V	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.2	164.9	-176.2	0	0	0	0	108.5	F36 T166 V169 F170 V219 W275 I277	F36-V104 HydrophobicContact CD2-CG2 4.46Å; F36-V104 HydrophobicContact CE2-CG2 3.97Å; V104-T166 HydrophobicContact CG1-CG2 4.03Å; V104-T166 HydrophobicContact CG2-CG2 3.79Å; V104-V169 HydrophobicContact CG2-CB 4.38Å; V104-V169 HydrophobicContact CG2-CG1 3.95Å; V104-F170 HydrophobicContact CG1-CD2 4.41Å; V104-V219 CarbonylContact C-O 3.59Å; V104-V219 WeakPolarHBondContact CA-O 3.36Å; V104-W275 WeakPolarHBondContact O-CZ2 3.25Å; V104-W275 PolarHBondContact O-NE1 3.25Å; V104-I277 HydrophobicContact CB-CB 4.13Å; V104-I277 HydrophobicContact CB-CG2 3.63Å; V104-I277 HydrophobicContact CG1-CG2 4.26Å; V104-I277 HydrophobicContact CG2-CG2 4.15Å; V104-I277 PolarHBondContact N-O 2.85Å
105	V	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162.9	179.8	-55	0	0	0	0	111.2	Y218 V219 Y221 A224 P244 W275	V105-Y218 VanDerWaalsContact O-CA 3.29Å; V105-Y218 WeakPolarHBondContact O-CA 3.46Å; V105-V219 HydrophobicContact CG2-CG2 3.95Å; V105-V219 PolarHBondContact N-O 2.98Å; V105-V219 PolarHBondContact O-N 3.46Å; V105-Y221 HydrophobicContact CB-CD2 4.48Å; V105-Y221 HydrophobicContact CG1-CD2 3.67Å; V105-Y221 HydrophobicContact CG1-CG 4.22Å; V105-Y221 HydrophobicContact CG2-CD2 4.14Å; V105-A224 HydrophobicContact CG2-CB 3.8Å; V105-P244 HydrophobicContact CG1-CB 3.34Å; V105-P244 HydrophobicContact CG1-CG 3.71Å; V105-W275 HydrophobicContact CB-CZ2 4.32Å; V105-W275 HydrophobicContact CG1-CZ2 3.85Å
106	L	98.9	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	97.7	175.1	-65.3	-52.6	0	0	0	108	L125 Y129 F170 I216 Y231 T232 L234 I277	L106-L125 HydrophobicContact CD1-CD1 3.88Å; L106-L125 HydrophobicContact CD1-CD2 4.23Å; L106-L125 HydrophobicContact CD2-CD2 3.92Å; L106-L125 HydrophobicContact CG-CD1 3.88Å; L106-L125 HydrophobicContact CG-CD2 4.16Å; L106-Y129 HydrophobicContact CD1-CE2 4.35Å; L106-F170 HydrophobicContact CD1-CE2 3.85Å; L106-F170 HydrophobicContact CD1-CZ 4.25Å; L106-I216 HydrophobicContact CB-CD1 4.34Å; L106-I216 HydrophobicContact CB-CG1 4.29Å; L106-I216 HydrophobicContact CD1-CD1 4.29Å; L106-I216 HydrophobicContact CD1-CG1 4.33Å; L106-I216 HydrophobicContact CG-CD1 4.3Å; L106-Y231 VanDerWaalsContact O-CA 3.23Å; L106-Y231 WeakPolarHBondContact O-CA 3.35Å; L106-T232 HydrophobicContact CB-CG2 4.16Å; L106-T232 PolarHBondContact O-N 3.3Å; L106-L234 HydrophobicContact CD2-CD1 3.75Å; L106-L234 HydrophobicContact CD2-CD2 3.94Å; L106-L234 HydrophobicContact CD2-CG 4.16Å; L106-I277 HydrophobicContact CD2-CD1 4.16Å
107	A	98.9	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.6	169.1	0	0	0	0	0	108.9	V209 I216 G217 V219 A224 L229 A230	A107-V209 HydrophobicContact CB-CG1 4.06Å; A107-V209 HydrophobicContact CB-CG2 4.34Å; A107-I216 WeakPolarHBondContact O-CA 3.39Å; A107-G217 PolarHBondContact N-O 2.97Å; A107-G217 PolarHBondContact O-N 3.22Å; A107-V219 HydrophobicContact CB-CG2 3.92Å; A107-A224 HydrophobicContact CB-CB 4.37Å; A107-L229 HydrophobicContact CB-CB 4.14Å; A107-L229 HydrophobicContact CB-CD1 4Å; A107-A230 CarbonylContact C-O 3.56Å; A107-A230 VanDerWaalsContact CA-O 3.3Å; A107-A230 WeakPolarHBondContact CA-O 3.14Å
108	V	98.9	Very high	98.1	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	-175.1	-63.4	0	0	0	0	111.7	I110 W136 A215 I216 A230 T232	V108-I110 HydrophobicContact CB-CD1 3.91Å; V108-I110 HydrophobicContact CB-CG1 4.01Å; V108-I110 HydrophobicContact CG1-CD1 4.33Å; V108-I110 HydrophobicContact CG2-CD1 3.93Å; V108-I110 HydrophobicContact CG2-CG1 4.25Å; V108-W136 HydrophobicContact CG1-CH2 3.8Å; V108-W136 HydrophobicContact CG1-CZ2 4.2Å; V108-A215 VanDerWaalsContact CA-O 3.25Å; V108-A215 WeakPolarHBondContact CA-O 3.38Å; V108-I216 HydrophobicContact CG1-CB 4.23Å; V108-I216 HydrophobicContact CG1-CG1 4.04Å; V108-A230 HydrophobicContact CG2-CB 4.13Å; V108-A230 PolarHBondContact N-O 2.99Å; V108-T232 HydrophobicContact CG1-CG2 3.77Å; V108-T232 HydrophobicContact CG2-CG2 4.26Å
109	N	98.7	Very high	98.1	Very high	45 Å²	45	26.8 Å²	26.8	24%	0.241	16%	0.164	C	C	.	.			trans	-128	85.2	172.3	-175.9	-14.1	0	0	0	108.5	V209 Q210 L212 G214 A215	N109-V209 HydrophobicContact CB-CG1 4.21Å; N109-V209 VanDerWaalsContact CB-O 3.24Å; N109-V209 WeakPolarHBondContact CB-O 3.47Å; N109-V209 PolarHBondContact ND2-O 3.13Å; N109-Q210 PolarHBondContact ND2-O 3.41Å; N109-L212 WeakPolarHBondContact CB-O 3.11Å; N109-L212 PolarHBondContact ND2-O 3.49Å; N109-G214 VanDerWaalsContact O-CA 3.25Å; N109-G214 WeakPolarHBondContact O-CA 3.31Å; N109-G214 PolarHBondContact O-N 2.86Å; N109-A215 PolarHBondContact N-O 3.33Å
110	I	98.5	Very high	98.1	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.046	16%	0.163	C	C	.	.			trans	-116.5	114.2	-173.8	-54.3	167.9	0	0	0	108	V108 G112 L113 L118 W136 P151	V108-I110 HydrophobicContact CB-CD1 3.91Å; V108-I110 HydrophobicContact CB-CG1 4.01Å; V108-I110 HydrophobicContact CG1-CD1 4.33Å; V108-I110 HydrophobicContact CG2-CD1 3.93Å; V108-I110 HydrophobicContact CG2-CG1 4.25Å; I110-G112 PolarHBondContact O-N 3.19Å; I110-L113 HydrophobicContact CB-CB 4.26Å; I110-L113 HydrophobicContact CD1-CD2 4.35Å; I110-L113 HydrophobicContact CG2-CB 4.39Å; I110-L113 HydrophobicContact CG2-CD1 4.1Å; I110-L113 HydrophobicContact CG2-CD2 4.15Å; I110-L113 HydrophobicContact CG2-CG 4.45Å; I110-L113 PolarHBondContact O-N 3.1Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I110-L118 HydrophobicContact CD1-CD2 3.69Å; I110-W136 HydrophobicContact CD1-CD2 3.57Å; I110-W136 HydrophobicContact CD1-CE3 3.55Å; I110-W136 HydrophobicContact CD1-CG 4.35Å; I110-W136 HydrophobicContact CD1-CH2 3.6Å; I110-W136 HydrophobicContact CD1-CZ2 3.61Å; I110-W136 HydrophobicContact CD1-CZ3 3.6Å; I110-W136 HydrophobicContact CG1-CD2 3.85Å; I110-W136 HydrophobicContact CG1-CE3 4.35Å; I110-W136 HydrophobicContact CG1-CG 4.3Å; I110-W136 HydrophobicContact CG1-CH2 4.27Å; I110-W136 HydrophobicContact CG1-CZ2 3.75Å; I110-W136 HydrophobicContact CG2-CG 4.28Å; I110-P151 HydrophobicContact CG2-CG 3.6Å
111	P	93.6	Very high	98.1	Very high	65 Å²	65	28.6 Å²	28.6	42%	0.422	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	128.5	179.7	-27.7	35.4	0	0	0	112.1
112	G	95.1	Very high	98.1	Very high	82 Å²	82	28.8 Å²	28.8	85%	0.845	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-6.8	176.8	0	0	0	0	0	115.8	I110	I110-G112 PolarHBondContact O-N 3.19Å
113	L	96.9	Very high	98.1	Very high	28 Å²	28	33.3 Å²	33.3	15%	0.147	20%	0.195	C	C	.	.			trans	-106.1	140.3	177.1	-84.5	67.3	0	0	0	111.2	I110 E117 L118 L148 L150	I110-L113 HydrophobicContact CB-CB 4.26Å; I110-L113 HydrophobicContact CD1-CD2 4.35Å; I110-L113 HydrophobicContact CG2-CB 4.39Å; I110-L113 HydrophobicContact CG2-CD1 4.1Å; I110-L113 HydrophobicContact CG2-CD2 4.15Å; I110-L113 HydrophobicContact CG2-CG 4.45Å; I110-L113 PolarHBondContact O-N 3.1Å; I110-L113 VanDerWaalsContact O-N 3.17Å; L113-E117 WeakPolarHBondContact CA-OE2 3.25Å; L113-L118 HydrophobicContact CD2-CB 4.12Å; L113-L118 HydrophobicContact CD2-CD1 3.88Å; L113-L118 HydrophobicContact CD2-CG 4.49Å; L113-L148 HydrophobicContact CD2-CD1 4.16Å; L113-L150 HydrophobicContact CD2-CD2 4.11Å
114	K	96.3	Very high	98.1	Very high	156 Å²	156	33.7 Å²	33.7	68%	0.678	20%	0.198	S	C	*	.			trans	-96.2	167	175.2	-60	175.9	-177.9	172	0	111.2	G116 E117	K114-G116 PolarHBondContact O-N 2.93Å; K114-E117 HydrophobicContact CB-CG 4.11Å; K114-E117 PolarHBondContact N-OE2 3.31Å; K114-E117 PolarHBondContact O-N 2.98Å
115	S	98.1	Very high	98.1	Very high	53 Å²	53	33.7 Å²	33.7	37%	0.371	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.4	176	-159.4	0	0	0	0	111.8	E117 Y231	S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.47Å; S115-Y231 WeakPolarHBondContact OG-CD1 3.28Å; S115-Y231 WeakPolarHBondContact OG-CE1 3.4Å; S115-Y231 PolarHBondContact OG-N 3.43Å; S115-Y231 VanDerWaalsContact OG-N 3.08Å
116	G	97.5	Very high	98.1	Very high	10 Å²	10	33.7 Å²	33.7	10%	0.103	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	0.7	178.1	0	0	0	0	0	115.7	K114 Y231 K233	K114-G116 PolarHBondContact O-N 2.93Å; G116-Y231 WeakPolarHBondContact CA-O 3.35Å; G116-Y231 PolarHBondContact N-O 3.47Å; G116-K233 WeakPolarHBondContact O-CE 3.28Å
117	E	98.1	Very high	98.1	Very high	76 Å²	76	34.7 Å²	34.7	36%	0.355	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-47.2	177.9	-70.4	-176.5	160.7	0	0	111.9	L113 K114 S115 L148	L113-E117 WeakPolarHBondContact CA-OE2 3.25Å; K114-E117 HydrophobicContact CB-CG 4.11Å; K114-E117 PolarHBondContact N-OE2 3.31Å; K114-E117 PolarHBondContact O-N 2.98Å; S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.47Å; E117-L148 HydrophobicContact CB-CD1 4.32Å; E117-L148 HydrophobicContact CB-CD2 4.44Å
118	L	98.7	Very high	98.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	20%	0.203	C	C	.	.			trans	-75.5	134.8	-177	-165.4	74.9	0	0	0	112	I110 L113 L120 W136 I141 N145 L148 L150 T232 K233	I110-L118 HydrophobicContact CD1-CD2 3.69Å; L113-L118 HydrophobicContact CD2-CB 4.12Å; L113-L118 HydrophobicContact CD2-CD1 3.88Å; L113-L118 HydrophobicContact CD2-CG 4.49Å; L118-L120 HydrophobicContact CD2-CD2 4.41Å; L118-L120 HydrophobicContact CD2-CG 4.32Å; L118-W136 HydrophobicContact CD2-CE3 3.93Å; L118-W136 HydrophobicContact CD2-CH2 4.23Å; L118-W136 HydrophobicContact CD2-CZ3 3.43Å; L118-W136 VanDerWaalsContact CD2-CZ3 3.43Å; L118-I141 HydrophobicContact CD1-CG2 4.06Å; L118-N145 HydrophobicContact CD1-CB 4.46Å; L118-L148 HydrophobicContact CD1-CD1 4.13Å; L118-L150 HydrophobicContact CD1-CD2 3.68Å; L118-T232 HydrophobicContact CB-CG2 4.25Å; L118-T232 HydrophobicContact CD2-CG2 3.97Å; L118-T232 HydrophobicContact CG-CG2 4.49Å; L118-T232 CarbonylContact O-C 3.59Å; L118-T232 WeakPolarHBondContact O-CA 3.46Å; L118-T232 WeakPolarHBondContact O-CB 3.3Å; L118-K233 PolarHBondContact O-N 3.48Å
119	V	98.9	Very high	98.1	Very high	19 Å²	19	34.2 Å²	34.2	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.4	170.6	-176.7	0	0	0	0	109.4	N145 K233 I235 P241	V119-N145 PolarHBondContact N-OD1 2.58Å; V119-N145 PolarHBondContact O-ND2 3.32Å; V119-K233 HydrophobicContact CB-CB 4.47Å; V119-K233 HydrophobicContact CG2-CB 3.98Å; V119-K233 HydrophobicContact CG2-CD 4Å; V119-I235 HydrophobicContact CG1-CD1 3.62Å; V119-I235 HydrophobicContact CG1-CG1 4.11Å; V119-P241 HydrophobicContact CG1-CB 4.29Å; V119-P241 HydrophobicContact CG2-CB 4.44Å
120	L	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.3	166.9	-65.6	174.3	0	0	0	109.9	L118 T124 L125 I128 I141 I216 T232 K233 L234 I235	L118-L120 HydrophobicContact CD2-CD2 4.41Å; L118-L120 HydrophobicContact CD2-CG 4.32Å; L120-T124 HydrophobicContact CD2-CG2 4.22Å; L120-L125 HydrophobicContact CD1-CD1 4.12Å; L120-I128 HydrophobicContact CD1-CD1 4.22Å; L120-I128 HydrophobicContact CD2-CD1 4.18Å; L120-I141 HydrophobicContact CD2-CG1 4.31Å; L120-I141 HydrophobicContact CD2-CG2 4.32Å; L120-I216 HydrophobicContact CD1-CD1 4.13Å; L120-T232 HydrophobicContact CD1-CG2 4.16Å; L120-K233 PolarHBondContact N-O 3.1Å; L120-L234 HydrophobicContact CB-CD2 3.91Å; L120-L234 CarbonylContact O-C 3.48Å; L120-L234 VanDerWaalsContact O-CA 3.27Å; L120-L234 WeakPolarHBondContact O-CA 3.32Å; L120-L234 WeakPolarHBondContact O-CD2 3.49Å; L120-I235 PolarHBondContact O-N 2.85Å
121	D	98.8	Very high	98.1	Very high	42 Å²	42	33.5 Å²	33.5	23%	0.225	20%	0.2	C	C	.	.			trans	-101.7	169.7	166.3	72.6	16.7	0	0	0	111	K123 T124 L125 L144 I235	D121-K123 VanDerWaalsContact C-N 3.34Å; D121-K123 PolarHBondContact O-N 2.84Å; D121-K123 PolarHBondContact OD1-N 2.72Å; D121-T124 WeakPolarHBondContact OD1-CA 3.38Å; D121-T124 WeakPolarHBondContact OD1-CB 3.41Å; D121-T124 PolarHBondContact OD1-N 3.4Å; D121-T124 PolarHBondContact OD1-OG1 2.84Å; D121-L125 VanDerWaalsContact O-CB 3.22Å; D121-L125 WeakPolarHBondContact O-CB 3.34Å; D121-L125 PolarHBondContact O-N 2.81Å; D121-L144 HydrophobicContact CB-CD1 4.19Å; D121-L144 HydrophobicContact CB-CD2 4.33Å; D121-I235 HydrophobicContact CB-CB 3.94Å; D121-I235 HydrophobicContact CB-CG1 3.69Å
122	G	98.8	Very high	98.3	Very high	7 Å²	7	35 Å²	35	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-37.2	-178.9	0	0	0	0	0	114.2	G126 Y173 V177	G122-G126 PolarHBondContact O-N 2.77Å; G122-Y173 WeakPolarHBondContact CA-OH 3.3Å; G122-Y173 PolarHBondContact N-OH 3.5Å; G122-V177 VanDerWaalsContact C-CG2 3.47Å; G122-V177 VanDerWaalsContact CA-CG2 3.41Å; G122-V177 WeakPolarHBondContact O-CG2 3.32Å
123	K	98.8	Very high	98.5	Very high	94 Å²	94	31.6 Å²	31.6	41%	0.409	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-51.5	-178.9	177.8	60	174.4	73.6	0	111.1	D121 L125 G126 D127 N178	D121-K123 VanDerWaalsContact C-N 3.34Å; D121-K123 PolarHBondContact O-N 2.84Å; D121-K123 PolarHBondContact OD1-N 2.72Å; K123-L125 VanDerWaalsContact C-N 3.35Å; K123-G126 PolarHBondContact O-N 2.85Å; K123-D127 IonicContact NZ-OD1 2.63Å; K123-D127 PolarHBondContact NZ-OD1 3.1Å; K123-D127 IonicContact NZ-OD2 2.58Å; K123-D127 PolarHBondContact NZ-OD2 3.18Å; K123-D127 PolarHBondContact O-N 2.91Å; K123-N178 HydrophobicContact CD-CB 4.47Å; K123-N178 PolarHBondContact O-ND2 2.66Å
124	T	98.9	Very high	98.6	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.5	-54.3	0	0	0	0	110.5	L120 D121 G126 D127 I128 I133 A140 I141 L144	L120-T124 HydrophobicContact CD2-CG2 4.22Å; D121-T124 WeakPolarHBondContact OD1-CA 3.38Å; D121-T124 WeakPolarHBondContact OD1-CB 3.41Å; D121-T124 PolarHBondContact OD1-N 3.4Å; D121-T124 PolarHBondContact OD1-OG1 2.84Å; T124-G126 PolarHBondContact O-N 2.9Å; T124-D127 PolarHBondContact O-N 3.34Å; T124-I128 HydrophobicContact CG2-CD1 4.45Å; T124-I128 WeakPolarHBondContact O-CG1 3.33Å; T124-I128 PolarHBondContact O-N 3.12Å; T124-I133 HydrophobicContact CG2-CD1 3.6Å; T124-A140 HydrophobicContact CG2-CB 4.17Å; T124-I141 HydrophobicContact CG2-CG1 3.95Å; T124-L144 HydrophobicContact CG2-CD1 4.35Å
125	L	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-44.3	175	-175.9	63	0	0	0	112	L106 L120 D121 K123 D127 I128 Y129 F170 Y173 L174 I216 L234 I277	L106-L125 HydrophobicContact CD1-CD1 3.88Å; L106-L125 HydrophobicContact CD1-CD2 4.23Å; L106-L125 HydrophobicContact CD2-CD2 3.92Å; L106-L125 HydrophobicContact CG-CD1 3.88Å; L106-L125 HydrophobicContact CG-CD2 4.16Å; L120-L125 HydrophobicContact CD1-CD1 4.12Å; D121-L125 VanDerWaalsContact O-CB 3.22Å; D121-L125 WeakPolarHBondContact O-CB 3.34Å; D121-L125 PolarHBondContact O-N 2.81Å; K123-L125 VanDerWaalsContact C-N 3.35Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.18Å; L125-I128 PolarHBondContact O-N 3.49Å; L125-Y129 HydrophobicContact CD1-CD2 3.9Å; L125-Y129 HydrophobicContact CD1-CE2 3.76Å; L125-Y129 HydrophobicContact CG-CD2 4.31Å; L125-Y129 HydrophobicContact CG-CE2 4.49Å; L125-Y129 WeakPolarHBondContact O-CD2 3.45Å; L125-Y129 PolarHBondContact O-N 3.43Å; L125-Y129 VanDerWaalsContact O-N 3.09Å; L125-F170 HydrophobicContact CD2-CE2 3.83Å; L125-F170 HydrophobicContact CD2-CZ 4.17Å; L125-F170 HydrophobicContact CG-CE2 4.47Å; L125-F170 HydrophobicContact CG-CZ 4.32Å; L125-Y173 HydrophobicContact CD2-CE1 4.04Å; L125-L174 HydrophobicContact CB-CD2 4.44Å; L125-L174 HydrophobicContact CD2-CD2 4.12Å; L125-L174 HydrophobicContact CG-CD2 4.06Å; L125-I216 HydrophobicContact CD1-CD1 3.77Å; L125-L234 HydrophobicContact CD2-CD2 4.45Å; L125-I277 HydrophobicContact CD2-CD1 4.33Å
126	G	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-41.2	173.5	0	0	0	0	0	112.4	G122 K123 T124 I128 Y129 L130 N178	G122-G126 PolarHBondContact O-N 2.77Å; K123-G126 PolarHBondContact O-N 2.85Å; T124-G126 PolarHBondContact O-N 2.9Å; G126-I128 PolarHBondContact O-N 2.9Å; G126-Y129 CarbonylContact O-C 3.46Å; G126-Y129 PolarHBondContact O-N 3.41Å; G126-L130 WeakPolarHBondContact O-CB 3.05Å; G126-L130 VanDerWaalsContact O-CG 3.28Å; G126-L130 WeakPolarHBondContact O-CG 3.47Å; G126-L130 PolarHBondContact O-N 3.18Å; G126-N178 WeakPolarHBondContact CA-ND2 3.38Å
127	D	98.9	Very high	98.8	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-32.9	178.6	-69.2	-13.3	0	0	0	113.1	K123 T124 L125 G131 K132 I133 N178	K123-D127 IonicContact NZ-OD1 2.63Å; K123-D127 PolarHBondContact NZ-OD1 3.1Å; K123-D127 IonicContact NZ-OD2 2.58Å; K123-D127 PolarHBondContact NZ-OD2 3.18Å; K123-D127 PolarHBondContact O-N 2.91Å; T124-D127 PolarHBondContact O-N 3.34Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.18Å; D127-G131 PolarHBondContact O-N 2.92Å; D127-K132 HydrophobicContact CB-CB 4.26Å; D127-K132 HydrophobicContact CB-CD 4.27Å; D127-K132 WeakPolarHBondContact O-CB 3.16Å; D127-K132 PolarHBondContact O-N 3.02Å; D127-I133 HydrophobicContact CB-CD1 3.76Å; D127-I133 HydrophobicContact CB-CG1 4.01Å; D127-I133 PolarHBondContact O-N 3.31Å; D127-N178 PolarHBondContact N-ND2 3.48Å; D127-N178 PolarHBondContact OD1-ND2 3.04Å
128	I	98.9	Very high	98.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-50.2	169.6	-70.4	166.2	0	0	0	110.1	L120 T124 L125 G126 L130 G131 I133 I141 I155 V157 I216	L120-I128 HydrophobicContact CD1-CD1 4.22Å; L120-I128 HydrophobicContact CD2-CD1 4.18Å; T124-I128 HydrophobicContact CG2-CD1 4.45Å; T124-I128 WeakPolarHBondContact O-CG1 3.33Å; T124-I128 PolarHBondContact O-N 3.12Å; L125-I128 PolarHBondContact O-N 3.49Å; G126-I128 PolarHBondContact O-N 2.9Å; I128-L130 VanDerWaalsContact C-N 3.28Å; I128-L130 PolarHBondContact O-N 2.92Å; I128-G131 WeakPolarHBondContact O-CA 3.45Å; I128-G131 PolarHBondContact O-N 3.18Å; I128-I133 HydrophobicContact CG1-CB 3.86Å; I128-I133 HydrophobicContact CG1-CD1 4.31Å; I128-I133 HydrophobicContact CG1-CG2 3.86Å; I128-I141 HydrophobicContact CD1-CD1 4.19Å; I128-I155 HydrophobicContact CD1-CD1 4.28Å; I128-I155 HydrophobicContact CG1-CD1 4.03Å; I128-I155 HydrophobicContact CG2-CD1 4.34Å; I128-I155 HydrophobicContact CG2-CG2 3.9Å; I128-V157 HydrophobicContact CG2-CG2 3.99Å; I128-I216 HydrophobicContact CG2-CD1 4.39Å; I128-I216 HydrophobicContact CG2-CG2 4.06Å
129	Y	98.9	Very high	98.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73	-17.9	-178.8	-85.1	-94.1	0	0	0	113.8	L106 L125 G126 G131 V157 V158 F170 L174 W193 I216 Y218	L106-Y129 HydrophobicContact CD1-CE2 4.35Å; L125-Y129 HydrophobicContact CD1-CD2 3.9Å; L125-Y129 HydrophobicContact CD1-CE2 3.76Å; L125-Y129 HydrophobicContact CG-CD2 4.31Å; L125-Y129 HydrophobicContact CG-CE2 4.49Å; L125-Y129 WeakPolarHBondContact O-CD2 3.45Å; L125-Y129 PolarHBondContact O-N 3.43Å; L125-Y129 VanDerWaalsContact O-N 3.09Å; G126-Y129 CarbonylContact O-C 3.46Å; G126-Y129 PolarHBondContact O-N 3.41Å; Y129-G131 VanDerWaalsContact C-N 3.3Å; Y129-V157 HydrophobicContact CD1-CG1 3.62Å; Y129-V157 HydrophobicContact CE1-CG1 3.55Å; Y129-V157 HydrophobicContact CG-CG1 4.26Å; Y129-V158 PolarHBondContact OH-O 2.94Å; Y129-F170 AromaticContact CD1-CE1 3.86Å; Y129-F170 HydrophobicContact CD1-CE1 3.86Å; Y129-F170 HydrophobicContact CD1-CZ 4.33Å; Y129-F170 HydrophobicContact CD2-CE1 4.12Å; Y129-F170 AromaticContact CD2-CZ 3.76Å; Y129-F170 HydrophobicContact CD2-CZ 3.76Å; Y129-F170 AromaticContact CE1-CE1 3.76Å; Y129-F170 HydrophobicContact CE1-CE1 3.76Å; Y129-F170 HydrophobicContact CE1-CZ 4.11Å; Y129-F170 HydrophobicContact CE2-CE1 4.03Å; Y129-F170 AromaticContact CE2-CZ 3.52Å; Y129-F170 HydrophobicContact CE2-CZ 3.52Å; Y129-F170 HydrophobicContact CG-CE1 4.04Å; Y129-F170 HydrophobicContact CG-CZ 4.17Å; Y129-F170 AromaticContact CZ-CE1 3.86Å; Y129-F170 AromaticContact CZ-CZ 3.72Å; Y129-L174 HydrophobicContact CG-CD1 4.47Å; Y129-W193 HydrophobicContact CD1-CE3 4.2Å; Y129-W193 AromaticContact CD1-CZ3 3.72Å; Y129-W193 HydrophobicContact CD1-CZ3 3.72Å; Y129-W193 HydrophobicContact CE1-CZ3 4.17Å; Y129-I216 HydrophobicContact CE2-CD1 4.08Å; Y129-I216 HydrophobicContact CE2-CG1 4.35Å; Y129-Y218 AromaticContact CE1-CD1 3.8Å; Y129-Y218 HydrophobicContact CE1-CD1 3.8Å; Y129-Y218 AromaticContact CE1-CE1 3.97Å; Y129-Y218 HydrophobicContact CE1-CE1 3.97Å; Y129-Y218 AromaticContact CZ-CD1 3.86Å; Y129-Y218 WeakPolarHBondContact OH-CD1 3.42Å; Y129-Y218 PolarHBondContact OH-N 3.44Å
130	L	98.9	Very high	98.8	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.9	165.6	-72.8	163.1	0	0	0	112.9	G126 I128 K132 E180 W181 V185 P194	G126-L130 WeakPolarHBondContact O-CB 3.05Å; G126-L130 VanDerWaalsContact O-CG 3.28Å; G126-L130 WeakPolarHBondContact O-CG 3.47Å; G126-L130 PolarHBondContact O-N 3.18Å; I128-L130 VanDerWaalsContact C-N 3.28Å; I128-L130 PolarHBondContact O-N 2.92Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 HydrophobicContact CB-CD 4.04Å; L130-K132 HydrophobicContact CB-CG 3.96Å; L130-K132 HydrophobicContact CD1-CD 4.08Å; L130-E180 HydrophobicContact CD1-CB 3.89Å; L130-E180 HydrophobicContact CD1-CG 3.83Å; L130-E180 HydrophobicContact CD2-CG 4.4Å; L130-W181 HydrophobicContact CD2-CE3 4.25Å; L130-W181 HydrophobicContact CG-CE3 4.11Å; L130-V185 HydrophobicContact CD2-CG2 4.18Å; L130-P194 HydrophobicContact CD2-CG 4.04Å
131	G	98.7	Very high	98.8	Very high	13 Å²	13	39.9 Å²	39.9	13%	0.134	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	14.8	-177.1	0	0	0	0	0	114.5	D127 I128 Y129 K134	D127-G131 PolarHBondContact O-N 2.92Å; I128-G131 WeakPolarHBondContact O-CA 3.45Å; I128-G131 PolarHBondContact O-N 3.18Å; Y129-G131 VanDerWaalsContact C-N 3.3Å; G131-K134 VanDerWaalsContact O-CE 3.28Å; G131-K134 WeakPolarHBondContact O-CE 3.37Å; G131-K134 PolarHBondContact O-NZ 2.98Å
132	K	98.8	Very high	98.8	Very high	97 Å²	97	39.7 Å²	39.7	42%	0.422	20%	0.202	S	C	.	.	S	Bend	trans	-74.3	-50.2	178.4	-60.2	171.8	76.3	92.3	0	109.8	D127 L130 K134 E180	D127-K132 HydrophobicContact CB-CB 4.26Å; D127-K132 HydrophobicContact CB-CD 4.27Å; D127-K132 WeakPolarHBondContact O-CB 3.16Å; D127-K132 PolarHBondContact O-N 3.02Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 HydrophobicContact CB-CD 4.04Å; L130-K132 HydrophobicContact CB-CG 3.96Å; L130-K132 HydrophobicContact CD1-CD 4.08Å; K132-K134 PolarHBondContact O-NZ 3.49Å; K132-E180 VanDerWaalsContact CE-OE2 3.31Å; K132-E180 WeakPolarHBondContact CE-OE2 3.45Å; K132-E180 VanDerWaalsContact NZ-CD 3.31Å; K132-E180 IonicContact NZ-OE1 2.62Å; K132-E180 PolarHBondContact NZ-OE1 2.98Å; K132-E180 IonicContact NZ-OE2 3.06Å; K132-E180 PolarHBondContact NZ-OE2 2.8Å
133	I	98.8	Very high	98.8	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.051	24%	0.236	C	C	.	.			trans	-87	120	174.1	-63.4	174.6	0	0	0	108.7	T124 D127 I128 D138 A140 I141 I155	T124-I133 HydrophobicContact CG2-CD1 3.6Å; D127-I133 HydrophobicContact CB-CD1 3.76Å; D127-I133 HydrophobicContact CB-CG1 4.01Å; D127-I133 PolarHBondContact O-N 3.31Å; I128-I133 HydrophobicContact CG1-CB 3.86Å; I128-I133 HydrophobicContact CG1-CD1 4.31Å; I128-I133 HydrophobicContact CG1-CG2 3.86Å; I133-D138 HydrophobicContact CG2-CB 3.6Å; I133-A140 HydrophobicContact CD1-CB 3.86Å; I133-I141 HydrophobicContact CG2-CD1 3.77Å; I133-I141 HydrophobicContact CG2-CG1 4.29Å; I133-I155 HydrophobicContact CG2-CD1 3.84Å
134	K	98.7	Very high	98.7	Very high	133 Å²	133	45.5 Å²	45.5	58%	0.578	23%	0.228	S	C	*	.			trans	-116.8	-13.3	-169.4	-62.5	-177.8	-175.5	64.7	0	114.6	G131 K132 N154 I155	G131-K134 VanDerWaalsContact O-CE 3.28Å; G131-K134 WeakPolarHBondContact O-CE 3.37Å; G131-K134 PolarHBondContact O-NZ 2.98Å; K132-K134 PolarHBondContact O-NZ 3.49Å; K134-N154 CarbonylContact O-C 3.57Å; K134-N154 WeakPolarHBondContact O-CA 3.28Å; K134-I155 PolarHBondContact O-N 3.11Å
135	K	98.7	Very high	98.7	Very high	80 Å²	80	45.5 Å²	45.5	35%	0.348	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-132.1	152.9	179.6	-69.1	-176.4	167.3	-66.3	0	110.8	D137 D138 S152 Q153 N154	K135-D137 VanDerWaalsContact C-N 3.27Å; K135-D137 WeakPolarHBondContact CB-OD1 3.41Å; K135-D137 PolarHBondContact O-N 2.91Å; K135-D138 WeakPolarHBondContact O-CB 3.46Å; K135-D138 PolarHBondContact O-N 2.87Å; K135-S152 PolarHBondContact NZ-O 2.86Å; K135-Q153 VanDerWaalsContact CA-O 3.25Å; K135-Q153 WeakPolarHBondContact CA-O 3.46Å; K135-N154 PolarHBondContact NZ-OD1 3.1Å
136	W	98.8	Very high	98.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19	-178.4	-77.2	108.1	0	0	0	114	V108 I110 L118 I141 L150 P151 Q153 I155 G214 I216	V108-W136 HydrophobicContact CG1-CH2 3.8Å; V108-W136 HydrophobicContact CG1-CZ2 4.2Å; I110-W136 HydrophobicContact CD1-CD2 3.57Å; I110-W136 HydrophobicContact CD1-CE3 3.55Å; I110-W136 HydrophobicContact CD1-CG 4.35Å; I110-W136 HydrophobicContact CD1-CH2 3.6Å; I110-W136 HydrophobicContact CD1-CZ2 3.61Å; I110-W136 HydrophobicContact CD1-CZ3 3.6Å; I110-W136 HydrophobicContact CG1-CD2 3.85Å; I110-W136 HydrophobicContact CG1-CE3 4.35Å; I110-W136 HydrophobicContact CG1-CG 4.3Å; I110-W136 HydrophobicContact CG1-CH2 4.27Å; I110-W136 HydrophobicContact CG1-CZ2 3.75Å; I110-W136 HydrophobicContact CG2-CG 4.28Å; L118-W136 HydrophobicContact CD2-CE3 3.93Å; L118-W136 HydrophobicContact CD2-CH2 4.23Å; L118-W136 HydrophobicContact CD2-CZ3 3.43Å; L118-W136 VanDerWaalsContact CD2-CZ3 3.43Å; W136-I141 HydrophobicContact CE3-CD1 3.96Å; W136-I141 HydrophobicContact CZ3-CD1 4.41Å; W136-L150 WeakPolarHBondContact O-CD1 3.12Å; W136-P151 HydrophobicContact CB-CG 4.4Å; W136-Q153 PolarHBondContact N-O 3.08Å; W136-I155 HydrophobicContact CD2-CD1 4.26Å; W136-I155 HydrophobicContact CD2-CG1 3.92Å; W136-I155 HydrophobicContact CE3-CD1 4.39Å; W136-I155 HydrophobicContact CG-CG1 4Å; W136-I155 HydrophobicContact CZ2-CG1 4.42Å; W136-I155 HydrophobicContact CZ2-CG2 4.25Å; W136-G214 PolarHBondContact NE1-O 2.77Å; W136-I216 HydrophobicContact CH2-CB 4.04Å; W136-I216 HydrophobicContact CH2-CD1 4.11Å; W136-I216 HydrophobicContact CH2-CG1 4.43Å; W136-I216 HydrophobicContact CZ2-CB 3.96Å; W136-I216 HydrophobicContact CZ2-CG2 4.5Å
137	D	98.5	Very high	98.5	Very high	58 Å²	58	58 Å²	58	31%	0.31	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	15.3	175.3	65.8	-24.2	0	0	0	113.8	K135 L150 P151 S152	K135-D137 VanDerWaalsContact C-N 3.27Å; K135-D137 WeakPolarHBondContact CB-OD1 3.41Å; K135-D137 PolarHBondContact O-N 2.91Å; D137-L150 HydrophobicContact CB-CB 4.1Å; D137-P151 PolarHBondContact N-O 2.76Å; D137-S152 VanDerWaalsContact CG-CA 3.49Å; D137-S152 VanDerWaalsContact OD2-CA 3.3Å; D137-S152 WeakPolarHBondContact OD2-CA 3.39Å; D137-S152 WeakPolarHBondContact OD2-CB 3.36Å; D137-S152 PolarHBondContact OD2-OG 2.94Å
138	D	98.8	Very high	98.5	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	31%	0.308	S	S	.	.			trans	-58.1	142.3	174.6	-169.2	-73.5	0	0	0	111.4	I133 K135 A140 I141 A142	I133-D138 HydrophobicContact CG2-CB 3.6Å; K135-D138 WeakPolarHBondContact O-CB 3.46Å; K135-D138 PolarHBondContact O-N 2.87Å; D138-A140 PolarHBondContact O-N 2.71Å; D138-A140 VanDerWaalsContact O-N 3.14Å; D138-A140 PolarHBondContact OD1-N 3.33Å; D138-A140 VanDerWaalsContact OD1-N 3.09Å; D138-I141 HydrophobicContact CB-CD1 4.35Å; D138-I141 HydrophobicContact CB-CG1 4.43Å; D138-I141 PolarHBondContact O-N 2.69Å; D138-A142 PolarHBondContact O-N 3.19Å
139	E	98.5	Very high	98.4	Very high	163 Å²	163	68.9 Å²	68.9	76%	0.762	35%	0.349	S	S	*	.	H	α-helix	trans	-54.1	-37.2	-175.8	-174.8	-177.3	166.2	0	0	112.5	I141 A142 K143	E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 2.63Å; E139-A142 PolarHBondContact O-N 3.08Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 2.67Å
140	A	98.7	Very high	98.3	Very high	35 Å²	35	70.2 Å²	70.2	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-38.6	178.2	0	0	0	0	0	112.2	T124 I133 D138	T124-A140 HydrophobicContact CG2-CB 4.17Å; I133-A140 HydrophobicContact CD1-CB 3.86Å; D138-A140 PolarHBondContact O-N 2.71Å; D138-A140 VanDerWaalsContact O-N 3.14Å; D138-A140 PolarHBondContact OD1-N 3.33Å; D138-A140 VanDerWaalsContact OD1-N 3.09Å
141	I	98.8	Very high	98.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-73.5	-43.3	176.4	-56.8	175	0	0	0	109.8	L118 L120 T124 I128 I133 W136 D138 E139 K143 L144 N145 L150 I155	L118-I141 HydrophobicContact CD1-CG2 4.06Å; L120-I141 HydrophobicContact CD2-CG1 4.31Å; L120-I141 HydrophobicContact CD2-CG2 4.32Å; T124-I141 HydrophobicContact CG2-CG1 3.95Å; I128-I141 HydrophobicContact CD1-CD1 4.19Å; I133-I141 HydrophobicContact CG2-CD1 3.77Å; I133-I141 HydrophobicContact CG2-CG1 4.29Å; W136-I141 HydrophobicContact CE3-CD1 3.96Å; W136-I141 HydrophobicContact CZ3-CD1 4.41Å; D138-I141 HydrophobicContact CB-CD1 4.35Å; D138-I141 HydrophobicContact CB-CG1 4.43Å; D138-I141 PolarHBondContact O-N 2.69Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 2.63Å; I141-K143 VanDerWaalsContact C-N 3.32Å; I141-K143 PolarHBondContact O-N 2.96Å; I141-L144 PolarHBondContact O-N 3.39Å; I141-L144 VanDerWaalsContact O-N 3.16Å; I141-N145 PolarHBondContact O-N 2.8Å; I141-N145 PolarHBondContact O-ND2 2.83Å; I141-L150 HydrophobicContact CB-CD1 4.36Å; I141-L150 HydrophobicContact CG2-CD1 3.83Å; I141-L150 HydrophobicContact CG2-CD2 4.45Å; I141-I155 HydrophobicContact CD1-CD1 3.99Å
142	A	98.6	Very high	98.3	Very high	37 Å²	37	73.8 Å²	73.8	31%	0.306	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-40.3	179	0	0	0	0	0	112.3	D138 E139 L144 N145 L150	D138-A142 PolarHBondContact O-N 3.19Å; E139-A142 PolarHBondContact O-N 3.08Å; A142-L144 VanDerWaalsContact C-N 3.26Å; A142-L144 PolarHBondContact O-N 3.01Å; A142-N145 CarbonylContact O-C 3.58Å; A142-N145 PolarHBondContact O-N 2.78Å; A142-L150 HydrophobicContact CB-CD1 4.01Å
143	K	98.5	Very high	98.2	Very high	180 Å²	180	72.3 Å²	72.3	78%	0.783	37%	0.374	S	S	*	.	H	α-helix	trans	-60.8	-32.6	176.9	-176.7	176.1	177.7	-179.1	0	113.3	E139 I141 N145	E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 2.67Å; I141-K143 VanDerWaalsContact C-N 3.32Å; I141-K143 PolarHBondContact O-N 2.96Å; K143-N145 VanDerWaalsContact C-N 3.32Å
144	L	98.6	Very high	98.2	Very high	44 Å²	44	76.5 Å²	76.5	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-80.6	-14.4	176.3	-67.3	169.7	0	0	0	112.9	D121 T124 I141 A142	D121-L144 HydrophobicContact CB-CD1 4.19Å; D121-L144 HydrophobicContact CB-CD2 4.33Å; T124-L144 HydrophobicContact CG2-CD1 4.35Å; I141-L144 PolarHBondContact O-N 3.39Å; I141-L144 VanDerWaalsContact O-N 3.16Å; A142-L144 VanDerWaalsContact C-N 3.26Å; A142-L144 PolarHBondContact O-N 3.01Å
145	N	98.6	Very high	98.2	Very high	8 Å²	8	71 Å²	71	4%	0.043	37%	0.373	C	S	.	.			trans	-137.2	56.7	-170.8	-60.4	-85.6	0	0	0	111.7	L118 V119 I141 A142 K143 D147 L148	L118-N145 HydrophobicContact CD1-CB 4.46Å; V119-N145 PolarHBondContact N-OD1 2.58Å; V119-N145 PolarHBondContact O-ND2 3.32Å; I141-N145 PolarHBondContact O-N 2.8Å; I141-N145 PolarHBondContact O-ND2 2.83Å; A142-N145 CarbonylContact O-C 3.58Å; A142-N145 PolarHBondContact O-N 2.78Å; K143-N145 VanDerWaalsContact C-N 3.32Å; N145-D147 PolarHBondContact O-N 3.47Å; N145-D147 VanDerWaalsContact O-N 3.08Å; N145-L148 HydrophobicContact CB-CB 4.12Å; N145-L148 HydrophobicContact CB-CD1 3.92Å; N145-L148 HydrophobicContact CB-CG 4.11Å; N145-L148 PolarHBondContact O-N 3.14Å; N145-L148 VanDerWaalsContact O-N 3.07Å
146	P	97.7	Very high	98.2	Very high	106 Å²	106	68.6 Å²	68.6	69%	0.688	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.3	-169.2	25	-35.7	0	0	0	114.3
147	D	96	Very high	98.2	Very high	157 Å²	157	69 Å²	69	84%	0.84	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.5	-177.6	-57.3	-48.2	0	0	0	113.7	N145	N145-D147 PolarHBondContact O-N 3.47Å; N145-D147 VanDerWaalsContact O-N 3.08Å
148	L	97.3	Very high	98.3	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.267	36%	0.356	S	S	.	.	S	Bend	trans	-95.5	137.7	-177.8	-63.1	-172.8	0	0	0	112.3	L113 E117 L118 N145 L150	L113-L148 HydrophobicContact CD2-CD1 4.16Å; E117-L148 HydrophobicContact CB-CD1 4.32Å; E117-L148 HydrophobicContact CB-CD2 4.44Å; L118-L148 HydrophobicContact CD1-CD1 4.13Å; N145-L148 HydrophobicContact CB-CB 4.12Å; N145-L148 HydrophobicContact CB-CD1 3.92Å; N145-L148 HydrophobicContact CB-CG 4.11Å; N145-L148 PolarHBondContact O-N 3.14Å; N145-L148 VanDerWaalsContact O-N 3.07Å; L148-L150 HydrophobicContact CB-CD2 4.23Å; L148-L150 HydrophobicContact CB-CG 4.44Å; L148-L150 PolarHBondContact O-N 3.17Å
149	K	96.5	Very high	98.3	Very high	198 Å²	198	66.7 Å²	66.7	86%	0.861	35%	0.354	S	S	*	.			trans	-83.1	92.1	168.7	-66.1	-176.7	-178.4	179.8	0	109.4
150	L	98.3	Very high	98.3	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.147	32%	0.319	C	S	.	.			trans	-78.2	133.1	-179.5	-61.3	171	0	0	0	111	L113 L118 W136 D137 I141 A142 L148	L113-L150 HydrophobicContact CD2-CD2 4.11Å; L118-L150 HydrophobicContact CD1-CD2 3.68Å; W136-L150 WeakPolarHBondContact O-CD1 3.12Å; D137-L150 HydrophobicContact CB-CB 4.1Å; I141-L150 HydrophobicContact CB-CD1 4.36Å; I141-L150 HydrophobicContact CG2-CD1 3.83Å; I141-L150 HydrophobicContact CG2-CD2 4.45Å; A142-L150 HydrophobicContact CB-CD1 4.01Å; L148-L150 HydrophobicContact CB-CD2 4.23Å; L148-L150 HydrophobicContact CB-CG 4.44Å; L148-L150 PolarHBondContact O-N 3.17Å
151	P	98.3	Very high	98.3	Very high	33 Å²	33	60.3 Å²	60.3	21%	0.214	33%	0.328	C	S	.	.			trans	-79.6	146.6	178.6	31.5	-34.1	0	0	0	111.5	I110 W136 D137 Q153	I110-P151 HydrophobicContact CG2-CG 3.6Å; W136-P151 HydrophobicContact CB-CG 4.4Å; D137-P151 PolarHBondContact N-O 2.76Å; P151-Q153 HydrophobicContact CB-CB 4.18Å; P151-Q153 HydrophobicContact CG-CB 4.14Å; P151-Q153 PolarHBondContact O-N 3.23Å
152	S	98	Very high	98.2	Very high	80 Å²	80	61.5 Å²	61.5	56%	0.559	34%	0.335	S	S	*	.			trans	-71	36.8	170.3	-48.9	0	0	0	0	114.3	K135 D137	K135-S152 PolarHBondContact NZ-O 2.86Å; D137-S152 VanDerWaalsContact CG-CA 3.49Å; D137-S152 VanDerWaalsContact OD2-CA 3.3Å; D137-S152 WeakPolarHBondContact OD2-CA 3.39Å; D137-S152 WeakPolarHBondContact OD2-CB 3.36Å; D137-S152 PolarHBondContact OD2-OG 2.94Å
153	Q	98.4	Very high	98.2	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.313	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-83.4	138.1	-179.3	179.2	64.3	20.2	0	0	110.4	K135 W136 P151 P213	K135-Q153 VanDerWaalsContact CA-O 3.25Å; K135-Q153 WeakPolarHBondContact CA-O 3.46Å; W136-Q153 PolarHBondContact N-O 3.08Å; P151-Q153 HydrophobicContact CB-CB 4.18Å; P151-Q153 HydrophobicContact CG-CB 4.14Å; P151-Q153 PolarHBondContact O-N 3.23Å; Q153-P213 PolarHBondContact NE2-O 2.84Å; Q153-P213 VanDerWaalsContact NE2-O 3.13Å
154	N	98.6	Very high	98.2	Very high	97 Å²	97	52 Å²	52	52%	0.519	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-66.3	142.7	173.8	-67.8	-8.4	0	0	0	111.2	K134 K135	K134-N154 CarbonylContact O-C 3.57Å; K134-N154 WeakPolarHBondContact O-CA 3.28Å; K135-N154 PolarHBondContact NZ-OD1 3.1Å
155	I	98.9	Very high	98.1	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.092	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-81.7	119.6	174.1	-57.6	178.4	0	0	0	109.3	I128 I133 K134 W136 I141 V157 G214 I216	I128-I155 HydrophobicContact CD1-CD1 4.28Å; I128-I155 HydrophobicContact CG1-CD1 4.03Å; I128-I155 HydrophobicContact CG2-CD1 4.34Å; I128-I155 HydrophobicContact CG2-CG2 3.9Å; I133-I155 HydrophobicContact CG2-CD1 3.84Å; K134-I155 PolarHBondContact O-N 3.11Å; W136-I155 HydrophobicContact CD2-CD1 4.26Å; W136-I155 HydrophobicContact CD2-CG1 3.92Å; W136-I155 HydrophobicContact CE3-CD1 4.39Å; W136-I155 HydrophobicContact CG-CG1 4Å; W136-I155 HydrophobicContact CZ2-CG1 4.42Å; W136-I155 HydrophobicContact CZ2-CG2 4.25Å; I141-I155 HydrophobicContact CD1-CD1 3.99Å; I155-V157 HydrophobicContact CG2-CG2 4.05Å; I155-G214 WeakPolarHBondContact CA-O 3.17Å; I155-I216 HydrophobicContact CG2-CG2 3.49Å; I155-I216 VanDerWaalsContact CG2-CG2 3.49Å
156	A	98.8	Very high	98.1	Very high	30 Å²	30	49.5 Å²	49.5	25%	0.248	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	92.4	173.6	0	0	0	0	0	110	V158 G214 A215 I216	A156-V158 PolarHBondContact O-N 3.41Å; A156-G214 PolarHBondContact N-O 3.38Å; A156-A215 HydrophobicContact CB-CB 4.35Å; A156-A215 VanDerWaalsContact O-CA 3.23Å; A156-A215 WeakPolarHBondContact O-CA 3.5Å; A156-I216 PolarHBondContact O-N 3.34Å; A156-I216 VanDerWaalsContact O-N 3.09Å
157	V	98.9	Very high	98.2	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.7	-179.2	-179.8	0	0	0	0	110.9	I128 Y129 I155 I195 G196 L197 I216	I128-V157 HydrophobicContact CG2-CG2 3.99Å; Y129-V157 HydrophobicContact CD1-CG1 3.62Å; Y129-V157 HydrophobicContact CE1-CG1 3.55Å; Y129-V157 HydrophobicContact CG-CG1 4.26Å; I155-V157 HydrophobicContact CG2-CG2 4.05Å; V157-I195 HydrophobicContact CB-CG2 4.12Å; V157-I195 HydrophobicContact CG1-CG2 4.27Å; V157-I195 HydrophobicContact CG2-CG2 4.03Å; V157-G196 CarbonylContact O-C 3.19Å; V157-G196 WeakPolarHBondContact O-CA 3.44Å; V157-L197 PolarHBondContact O-N 2.84Å; V157-I216 HydrophobicContact CG2-CG2 4.14Å
158	V	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.9	174.4	-170.1	0	0	0	0	109	Y129 A156 I205 F208 A215 I216	Y129-V158 PolarHBondContact OH-O 2.94Å; A156-V158 PolarHBondContact O-N 3.41Å; V158-I205 HydrophobicContact CB-CG2 4.43Å; V158-I205 HydrophobicContact CG1-CB 4.32Å; V158-I205 HydrophobicContact CG1-CG1 4.15Å; V158-I205 HydrophobicContact CG1-CG2 3.98Å; V158-F208 HydrophobicContact CB-CB 4.49Å; V158-F208 HydrophobicContact CG1-CB 3.7Å; V158-F208 HydrophobicContact CG1-CD2 4.26Å; V158-F208 HydrophobicContact CG1-CG 4.11Å; V158-F208 HydrophobicContact CG2-CB 3.98Å; V158-A215 HydrophobicContact CG2-CB 4.34Å; V158-I216 PolarHBondContact N-O 3.36Å
159	R	98.8	Very high	98.4	Very high	61 Å²	61	37.8 Å²	37.8	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	173.2	-179.5	52.6	72.9	-172.2	-176.9	3.6	110.3	W193 G196 L197 G198 G199 Y218	R159-W193 HydrophobicContact CB-CD2 3.76Å; R159-W193 HydrophobicContact CB-CE3 3.86Å; R159-W193 HydrophobicContact CB-CG 4.37Å; R159-W193 HydrophobicContact CB-CH2 4.15Å; R159-W193 HydrophobicContact CB-CZ2 4.04Å; R159-W193 HydrophobicContact CB-CZ3 4.05Å; R159-W193 HydrophobicContact CG-CB 4.3Å; R159-W193 HydrophobicContact CG-CD2 3.65Å; R159-W193 HydrophobicContact CG-CE3 4.02Å; R159-W193 HydrophobicContact CG-CG 3.74Å; R159-G196 PolarHBondContact NE-O 3.06Å; R159-G196 PolarHBondContact NH2-O 3.02Å; R159-L197 PolarHBondContact N-O 3.47Å; R159-L197 VanDerWaalsContact O-O 3.12Å; R159-G198 CarbonylContact O-C 3.56Å; R159-G198 WeakPolarHBondContact O-CA 3.09Å; R159-G199 PolarHBondContact O-N 3.22Å; R159-Y218 HydrophobicContact CB-CE1 3.68Å
160	R	98.6	Very high	98.5	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.3	177.1	-66.3	-72.9	-74.5	-87.7	-6.6	112	T35 D162 S164 T166 S167 G199 G201 N202 I205 Y218	T35-R160 PolarHBondContact OG1-NH1 3.2Å; T35-R160 PolarHBondContact OG1-NH2 2.66Å; R160-D162 IonicContact CZ-OD1 2.78Å; R160-D162 IonicContact CZ-OD2 2.68Å; R160-D162 IonicContact NE-OD1 3.7Å; R160-D162 PolarHBondContact NE-OD1 3.24Å; R160-D162 IonicContact NE-OD2 3.83Å; R160-D162 IonicContact NH2-OD1 2.97Å; R160-D162 IonicContact NH2-OD2 2.67Å; R160-D162 PolarHBondContact NH2-OD2 3.12Å; R160-S164 PolarHBondContact NH1-OG 3.04Å; R160-S164 PolarHBondContact NH2-OG 3.17Å; R160-T166 PolarHBondContact NH1-OG1 3.41Å; R160-S167 VanDerWaalsContact CB-OG 3.32Å; R160-S167 WeakPolarHBondContact CB-OG 3.39Å; R160-S167 WeakPolarHBondContact CG-OG 3.46Å; R160-G199 CarbonylContact C-O 3.58Å; R160-G199 WeakPolarHBondContact CA-O 3.38Å; R160-G201 WeakPolarHBondContact CD-O 3.41Å; R160-N202 PolarHBondContact NH1-ND2 3.03Å; R160-I205 HydrophobicContact CB-CD1 4.48Å; R160-I205 VanDerWaalsContact CD-CD1 3.42Å; R160-I205 HydrophobicContact CG-CD1 3.62Å; R160-Y218 WeakPolarHBondContact CB-OH 3.3Å; R160-Y218 HydrophobicContact CG-CE2 3.66Å; R160-Y218 WeakPolarHBondContact CG-OH 3.39Å; R160-Y218 PolarHBondContact N-OH 2.8Å
161	A	98.3	Very high	98.6	Very high	60 Å²	60	27 Å²	27	50%	0.496	16%	0.16	S	C	.	.	S	Bend	trans	-90	-32.2	170.4	0	0	0	0	0	112.4	G199	A161-G199 PolarHBondContact N-O 2.97Å
162	D	97.6	Very high	98.6	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	16%	0.156	C	C	.	.	S	Bend	trans	-95.7	162	-176.9	61.7	-59.9	0	0	0	112.9	R160 S164 G201	R160-D162 IonicContact CZ-OD1 2.78Å; R160-D162 IonicContact CZ-OD2 2.68Å; R160-D162 IonicContact NE-OD1 3.7Å; R160-D162 PolarHBondContact NE-OD1 3.24Å; R160-D162 IonicContact NE-OD2 3.83Å; R160-D162 IonicContact NH2-OD1 2.97Å; R160-D162 IonicContact NH2-OD2 2.67Å; R160-D162 PolarHBondContact NH2-OD2 3.12Å; D162-S164 PolarHBondContact O-N 3.04Å; D162-S164 VanDerWaalsContact O-N 3.15Å; D162-G201 PolarHBondContact OD1-N 3.41Å
163	G	97.6	Very high	98.6	Very high	17 Å²	17	22.6 Å²	22.6	18%	0.175	13%	0.129	C	C	.	.			trans	-67.2	108.9	176.6	0	0	0	0	0	111.4	S63 S64	S63-G163 PolarHBondContact N-O 3.23Å; S64-G163 WeakPolarHBondContact CB-O 3.15Å; S64-G163 PolarHBondContact N-O 3.41Å; S64-G163 VanDerWaalsContact N-O 3.14Å; S64-G163 WeakPolarHBondContact OG-CA 3.29Å; S64-G163 PolarHBondContact OG-O 3.34Å
164	S	98.7	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.			trans	-127.2	130.4	-160.4	171.7	0	0	0	0	113	R160 D162 T166 S167 F168 S189	R160-S164 PolarHBondContact NH1-OG 3.04Å; R160-S164 PolarHBondContact NH2-OG 3.17Å; D162-S164 PolarHBondContact O-N 3.04Å; D162-S164 VanDerWaalsContact O-N 3.15Å; S164-T166 VanDerWaalsContact C-N 3.35Å; S164-T166 WeakPolarHBondContact OG-CB 3.35Å; S164-T166 PolarHBondContact OG-N 3.41Å; S164-T166 VanDerWaalsContact OG-N 3.1Å; S164-S167 WeakPolarHBondContact CB-OG 3.27Å; S164-S167 WeakPolarHBondContact O-CB 3.16Å; S164-S167 PolarHBondContact O-N 2.98Å; S164-S167 PolarHBondContact OG-N 3.29Å; S164-F168 PolarHBondContact O-N 2.82Å; S164-S189 PolarHBondContact N-O 3.22Å; S164-S189 VanDerWaalsContact O-CA 3.28Å; S164-S189 WeakPolarHBondContact O-CA 3.26Å
165	G	98.3	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-37	167.2	0	0	0	0	0	112.4	S63 D81 S167 F168 V169	S63-G165 VanDerWaalsContact CB-N 3.33Å; S63-G165 WeakPolarHBondContact OG-CA 3.48Å; S63-G165 PolarHBondContact OG-N 3.23Å; D81-G165 VanDerWaalsContact OD2-CA 3.28Å; D81-G165 WeakPolarHBondContact OD2-CA 3.42Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.98Å; G165-F168 WeakPolarHBondContact O-CA 3.38Å; G165-F168 WeakPolarHBondContact O-CB 3.37Å; G165-F168 PolarHBondContact O-N 3.23Å; G165-V169 WeakPolarHBondContact O-CG2 3.33Å; G165-V169 PolarHBondContact O-N 3.18Å
166	T	98.7	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-43.1	170.3	-37.1	0	0	0	0	112.8	D81 V104 R160 S164 V169 F170 N202 Y218	D81-T166 PolarHBondContact OD2-N 3.24Å; V104-T166 HydrophobicContact CG1-CG2 4.03Å; V104-T166 HydrophobicContact CG2-CG2 3.79Å; R160-T166 PolarHBondContact NH1-OG1 3.41Å; S164-T166 VanDerWaalsContact C-N 3.35Å; S164-T166 WeakPolarHBondContact OG-CB 3.35Å; S164-T166 PolarHBondContact OG-N 3.41Å; S164-T166 VanDerWaalsContact OG-N 3.1Å; T166-V169 PolarHBondContact O-N 3.28Å; T166-F170 VanDerWaalsContact O-CB 3.25Å; T166-F170 WeakPolarHBondContact O-CB 3.24Å; T166-F170 PolarHBondContact O-N 3.25Å; T166-N202 PolarHBondContact OG1-ND2 3.21Å; T166-Y218 HydrophobicContact CG2-CD2 4.01Å; T166-Y218 HydrophobicContact CG2-CE2 4.43Å
167	S	98.9	Very high	98.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-42.3	170.5	-62.1	0	0	0	0	112.4	R160 S164 G165 V169 F170 T171 G188 Y218	R160-S167 VanDerWaalsContact CB-OG 3.32Å; R160-S167 WeakPolarHBondContact CB-OG 3.39Å; R160-S167 WeakPolarHBondContact CG-OG 3.46Å; S164-S167 WeakPolarHBondContact CB-OG 3.27Å; S164-S167 WeakPolarHBondContact O-CB 3.16Å; S164-S167 PolarHBondContact O-N 2.98Å; S164-S167 PolarHBondContact OG-N 3.29Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.98Å; S167-V169 VanDerWaalsContact C-N 3.35Å; S167-V169 PolarHBondContact O-N 3.09Å; S167-F170 PolarHBondContact O-N 3.36Å; S167-T171 VanDerWaalsContact O-CB 3.32Å; S167-T171 WeakPolarHBondContact O-CB 3.26Å; S167-T171 VanDerWaalsContact O-CG2 3.23Å; S167-T171 WeakPolarHBondContact O-CG2 3.4Å; S167-T171 PolarHBondContact O-N 2.92Å; S167-T171 PolarHBondContact O-OG1 2.62Å; S167-G188 CarbonylContact C-O 3.57Å; S167-Y218 PolarHBondContact OG-OH 3.01Å
168	F	98.8	Very high	98.7	Very high	63 Å²	63	18.8 Å²	18.8	28%	0.276	11%	0.106	S	C	.	.	H	α-helix	trans	-56.8	-49.8	176.1	172.3	-95.6	0	0	0	111	A82 S164 G165 T171 S172 G188	A82-F168 HydrophobicContact CB-CB 3.91Å; A82-F168 HydrophobicContact CB-CD1 3.65Å; A82-F168 HydrophobicContact CB-CD2 4.22Å; A82-F168 HydrophobicContact CB-CE1 4.23Å; A82-F168 HydrophobicContact CB-CG 3.65Å; S164-F168 PolarHBondContact O-N 2.82Å; G165-F168 WeakPolarHBondContact O-CA 3.38Å; G165-F168 WeakPolarHBondContact O-CB 3.37Å; G165-F168 PolarHBondContact O-N 3.23Å; F168-T171 PolarHBondContact O-OG1 2.87Å; F168-S172 WeakPolarHBondContact O-CB 3.49Å; F168-S172 PolarHBondContact O-N 2.87Å; F168-S172 PolarHBondContact O-OG 3.37Å; F168-G188 WeakPolarHBondContact CA-O 3.4Å; F168-G188 PolarHBondContact N-O 3.14Å
169	V	98.9	Very high	98.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-50.3	177.4	176.4	0	0	0	0	111.2	V104 G165 T166 S167 T171 S172 Y173 T267 I277 S279	V104-V169 HydrophobicContact CG2-CB 4.38Å; V104-V169 HydrophobicContact CG2-CG1 3.95Å; G165-V169 WeakPolarHBondContact O-CG2 3.33Å; G165-V169 PolarHBondContact O-N 3.18Å; T166-V169 PolarHBondContact O-N 3.28Å; S167-V169 VanDerWaalsContact C-N 3.35Å; S167-V169 PolarHBondContact O-N 3.09Å; V169-T171 PolarHBondContact O-N 3.04Å; V169-S172 PolarHBondContact O-N 3.2Å; V169-Y173 PolarHBondContact O-N 3.03Å; V169-T267 HydrophobicContact CG1-CG2 3.74Å; V169-I277 HydrophobicContact CG1-CG2 3.96Å; V169-S279 VanDerWaalsContact CG2-OG 3.24Å; V169-S279 WeakPolarHBondContact CG2-OG 3.25Å
170	F	99	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-46.5	-177.8	-177.7	-109.5	0	0	0	112.4	V104 L106 L125 Y129 T166 S167 S172 Y173 L174 W193 Y218 I277	V104-F170 HydrophobicContact CG1-CD2 4.41Å; L106-F170 HydrophobicContact CD1-CE2 3.85Å; L106-F170 HydrophobicContact CD1-CZ 4.25Å; L125-F170 HydrophobicContact CD2-CE2 3.83Å; L125-F170 HydrophobicContact CD2-CZ 4.17Å; L125-F170 HydrophobicContact CG-CE2 4.47Å; L125-F170 HydrophobicContact CG-CZ 4.32Å; Y129-F170 AromaticContact CD1-CE1 3.86Å; Y129-F170 HydrophobicContact CD1-CE1 3.86Å; Y129-F170 HydrophobicContact CD1-CZ 4.33Å; Y129-F170 HydrophobicContact CD2-CE1 4.12Å; Y129-F170 AromaticContact CD2-CZ 3.76Å; Y129-F170 HydrophobicContact CD2-CZ 3.76Å; Y129-F170 AromaticContact CE1-CE1 3.76Å; Y129-F170 HydrophobicContact CE1-CE1 3.76Å; Y129-F170 HydrophobicContact CE1-CZ 4.11Å; Y129-F170 HydrophobicContact CE2-CE1 4.03Å; Y129-F170 AromaticContact CE2-CZ 3.52Å; Y129-F170 HydrophobicContact CE2-CZ 3.52Å; Y129-F170 HydrophobicContact CG-CE1 4.04Å; Y129-F170 HydrophobicContact CG-CZ 4.17Å; Y129-F170 AromaticContact CZ-CE1 3.86Å; Y129-F170 AromaticContact CZ-CZ 3.72Å; T166-F170 VanDerWaalsContact O-CB 3.25Å; T166-F170 WeakPolarHBondContact O-CB 3.24Å; T166-F170 PolarHBondContact O-N 3.25Å; S167-F170 PolarHBondContact O-N 3.36Å; F170-S172 VanDerWaalsContact C-N 3.34Å; F170-Y173 WeakPolarHBondContact O-CB 3.33Å; F170-Y173 PolarHBondContact O-N 3.29Å; F170-L174 HydrophobicContact CD1-CD1 4.04Å; F170-L174 HydrophobicContact CD1-CG 4.44Å; F170-L174 HydrophobicContact CE1-CD1 3.44Å; F170-L174 VanDerWaalsContact CE1-CD1 3.44Å; F170-L174 HydrophobicContact CE1-CG 4.08Å; F170-L174 HydrophobicContact CE2-CG 4.48Å; F170-L174 HydrophobicContact CZ-CD1 3.76Å; F170-L174 HydrophobicContact CZ-CD2 4.22Å; F170-L174 HydrophobicContact CZ-CG 4.09Å; F170-L174 WeakPolarHBondContact O-CG 3.29Å; F170-L174 PolarHBondContact O-N 3.1Å; F170-W193 HydrophobicContact CD1-CH2 4.03Å; F170-W193 HydrophobicContact CD1-CZ3 4.47Å; F170-W193 HydrophobicContact CE1-CH2 4.33Å; F170-W193 HydrophobicContact CE1-CZ3 4.33Å; F170-Y218 HydrophobicContact CB-CD2 4.08Å; F170-Y218 HydrophobicContact CB-CE2 4.39Å; F170-Y218 HydrophobicContact CB-CG 4.24Å; F170-Y218 AromaticContact CD1-CD1 3.48Å; F170-Y218 HydrophobicContact CD1-CD1 3.48Å; F170-Y218 VanDerWaalsContact CD1-CD1 3.48Å; F170-Y218 HydrophobicContact CD1-CD2 4.35Å; F170-Y218 AromaticContact CD1-CE1 3.73Å; F170-Y218 HydrophobicContact CD1-CE1 3.73Å; F170-Y218 AromaticContact CD1-CG 3.85Å; F170-Y218 HydrophobicContact CD1-CG 3.85Å; F170-Y218 HydrophobicContact CD2-CD1 4.38Å; F170-Y218 HydrophobicContact CD2-CG 4.08Å; F170-Y218 AromaticContact CE1-CD1 3.53Å; F170-Y218 HydrophobicContact CE1-CD1 3.53Å; F170-Y218 AromaticContact CE1-CE1 3.95Å; F170-Y218 HydrophobicContact CE1-CE1 3.95Å; F170-Y218 HydrophobicContact CE1-CG 4.19Å; F170-Y218 HydrophobicContact CE2-CD1 4.44Å; F170-Y218 HydrophobicContact CE2-CG 4.42Å; F170-Y218 AromaticContact CG-CD1 3.92Å; F170-Y218 HydrophobicContact CG-CD1 3.92Å; F170-Y218 HydrophobicContact CG-CD2 4.13Å; F170-Y218 HydrophobicContact CG-CE1 4.43Å; F170-Y218 AromaticContact CG-CG 3.78Å; F170-Y218 HydrophobicContact CG-CG 3.78Å; F170-Y218 HydrophobicContact CZ-CD1 4.05Å; F170-Y218 HydrophobicContact CZ-CG 4.48Å; F170-I277 HydrophobicContact CD2-CD1 4.13Å; F170-I277 HydrophobicContact CE2-CD1 4.22Å
171	T	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.1	-30.7	179.1	59.9	0	0	0	0	112.4	S167 F168 V169 L174 A175 W181 G188 V191 W193	S167-T171 VanDerWaalsContact O-CB 3.32Å; S167-T171 WeakPolarHBondContact O-CB 3.26Å; S167-T171 VanDerWaalsContact O-CG2 3.23Å; S167-T171 WeakPolarHBondContact O-CG2 3.4Å; S167-T171 PolarHBondContact O-N 2.92Å; S167-T171 PolarHBondContact O-OG1 2.62Å; F168-T171 PolarHBondContact O-OG1 2.87Å; V169-T171 PolarHBondContact O-N 3.04Å; T171-L174 PolarHBondContact O-N 3.28Å; T171-A175 WeakPolarHBondContact O-CB 3.28Å; T171-A175 PolarHBondContact O-N 3.4Å; T171-W181 HydrophobicContact CG2-CZ2 3.64Å; T171-G188 PolarHBondContact OG1-N 2.91Å; T171-G188 PolarHBondContact OG1-O 2.92Å; T171-V191 HydrophobicContact CG2-CG1 4.31Å; T171-V191 HydrophobicContact CG2-CG2 4.08Å; T171-W193 HydrophobicContact CG2-CH2 3.71Å; T171-W193 HydrophobicContact CG2-CZ2 4.07Å; T171-W193 HydrophobicContact CG2-CZ3 4.49Å
172	S	98.8	Very high	98.7	Very high	19 Å²	19	30 Å²	30	13%	0.133	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-43	171.1	-60.5	0	0	0	0	111.7	F168 V169 F170 K176	F168-S172 WeakPolarHBondContact O-CB 3.49Å; F168-S172 PolarHBondContact O-N 2.87Å; F168-S172 PolarHBondContact O-OG 3.37Å; V169-S172 PolarHBondContact O-N 3.2Å; F170-S172 VanDerWaalsContact C-N 3.34Å; S172-K176 WeakPolarHBondContact O-CG 3.4Å; S172-K176 PolarHBondContact O-N 2.89Å
173	Y	98.9	Very high	98.7	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-52.7	170.9	169.3	-105.3	0	0	0	111.5	G122 L125 V169 F170 A175 K176 V177 N268 P276 I277	G122-Y173 WeakPolarHBondContact CA-OH 3.3Å; G122-Y173 PolarHBondContact N-OH 3.5Å; L125-Y173 HydrophobicContact CD2-CE1 4.04Å; V169-Y173 PolarHBondContact O-N 3.03Å; F170-Y173 WeakPolarHBondContact O-CB 3.33Å; F170-Y173 PolarHBondContact O-N 3.29Å; Y173-A175 VanDerWaalsContact C-N 3.27Å; Y173-A175 PolarHBondContact O-N 2.97Å; Y173-K176 WeakPolarHBondContact O-CB 3.34Å; Y173-K176 PolarHBondContact O-N 3.42Å; Y173-V177 HydrophobicContact CD1-CG2 4.29Å; Y173-V177 HydrophobicContact CD2-CG1 4.24Å; Y173-V177 HydrophobicContact CE1-CG2 3.91Å; Y173-V177 HydrophobicContact CE2-CG1 3.66Å; Y173-V177 HydrophobicContact CE2-CG2 4.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.17Å; Y173-V177 PolarHBondContact O-N 3.21Å; Y173-N268 HydrophobicContact CD2-CB 4.06Å; Y173-N268 HydrophobicContact CE2-CB 4.2Å; Y173-P276 HydrophobicContact CD2-CB 4.45Å; Y173-P276 WeakPolarHBondContact CD2-O 3.33Å; Y173-P276 HydrophobicContact CE2-CB 3.76Å; Y173-I277 HydrophobicContact CD1-CD1 3.5Å; Y173-I277 HydrophobicContact CD1-CG1 3.68Å; Y173-I277 HydrophobicContact CD2-CG1 4.06Å; Y173-I277 HydrophobicContact CE1-CD1 3.67Å; Y173-I277 HydrophobicContact CE1-CG1 3.9Å; Y173-I277 HydrophobicContact CE2-CG1 4.29Å; Y173-I277 HydrophobicContact CG-CD1 4.09Å; Y173-I277 HydrophobicContact CG-CG1 3.75Å; Y173-I277 HydrophobicContact CG-CG2 4.41Å
174	L	98.9	Very high	98.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.3	-38.9	-179	-69.4	-172.4	0	0	0	112.8	L125 Y129 F170 T171 K176 V177 N178 W181	L125-L174 HydrophobicContact CB-CD2 4.44Å; L125-L174 HydrophobicContact CD2-CD2 4.12Å; L125-L174 HydrophobicContact CG-CD2 4.06Å; Y129-L174 HydrophobicContact CG-CD1 4.47Å; F170-L174 HydrophobicContact CD1-CD1 4.04Å; F170-L174 HydrophobicContact CD1-CG 4.44Å; F170-L174 HydrophobicContact CE1-CD1 3.44Å; F170-L174 VanDerWaalsContact CE1-CD1 3.44Å; F170-L174 HydrophobicContact CE1-CG 4.08Å; F170-L174 HydrophobicContact CE2-CG 4.48Å; F170-L174 HydrophobicContact CZ-CD1 3.76Å; F170-L174 HydrophobicContact CZ-CD2 4.22Å; F170-L174 HydrophobicContact CZ-CG 4.09Å; F170-L174 WeakPolarHBondContact O-CG 3.29Å; F170-L174 PolarHBondContact O-N 3.1Å; T171-L174 PolarHBondContact O-N 3.28Å; L174-K176 PolarHBondContact O-N 2.99Å; L174-V177 PolarHBondContact O-N 2.98Å; L174-N178 PolarHBondContact O-N 2.84Å; L174-W181 HydrophobicContact CB-CB 4.48Å; L174-W181 HydrophobicContact CB-CD2 3.8Å; L174-W181 HydrophobicContact CB-CG 3.66Å; L174-W181 HydrophobicContact CD1-CD2 3.64Å; L174-W181 HydrophobicContact CD1-CE3 3.73Å; L174-W181 HydrophobicContact CD1-CG 4.37Å; L174-W181 HydrophobicContact CD1-CH2 3.87Å; L174-W181 HydrophobicContact CD1-CZ2 3.76Å; L174-W181 HydrophobicContact CD1-CZ3 3.86Å; L174-W181 HydrophobicContact CG-CD2 4.39Å
175	A	98.8	Very high	98.8	Very high	15 Å²	15	40.7 Å²	40.7	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-18.9	176.6	0	0	0	0	0	114	T171 Y173 K182 T187	T171-A175 WeakPolarHBondContact O-CB 3.28Å; T171-A175 PolarHBondContact O-N 3.4Å; Y173-A175 VanDerWaalsContact C-N 3.27Å; Y173-A175 PolarHBondContact O-N 2.97Å; A175-K182 HydrophobicContact CB-CB 4.16Å; A175-K182 HydrophobicContact CB-CG 4.25Å; A175-K182 WeakPolarHBondContact O-CB 3.26Å; A175-K182 WeakPolarHBondContact O-CD 3.43Å; A175-T187 HydrophobicContact CB-CG2 3.48Å; A175-T187 VanDerWaalsContact CB-CG2 3.48Å
176	K	98.8	Very high	98.8	Very high	88 Å²	88	41.6 Å²	41.6	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-83.9	-28.7	173.7	-68.4	174	175.3	-175.6	0	113.3	S172 Y173 L174 D265 T267 N268	S172-K176 WeakPolarHBondContact O-CG 3.4Å; S172-K176 PolarHBondContact O-N 2.89Å; Y173-K176 WeakPolarHBondContact O-CB 3.34Å; Y173-K176 PolarHBondContact O-N 3.42Å; L174-K176 PolarHBondContact O-N 2.99Å; K176-D265 WeakPolarHBondContact CE-OD2 3.45Å; K176-D265 IonicContact NZ-OD1 2.62Å; K176-D265 PolarHBondContact NZ-OD1 3.46Å; K176-D265 IonicContact NZ-OD2 2.72Å; K176-D265 PolarHBondContact NZ-OD2 3.2Å; K176-T267 WeakPolarHBondContact CE-OG1 3.5Å; K176-T267 PolarHBondContact NZ-O 2.9Å; K176-T267 PolarHBondContact NZ-OG1 3.38Å; K176-N268 HydrophobicContact CD-CB 3.99Å
177	V	98.8	Very high	98.8	Very high	35 Å²	35	45.3 Å²	45.3	21%	0.212	24%	0.235	C	C	.	.	H	α-helix	trans	-114	-9.2	-167.8	-59.5	0	0	0	0	114	G122 Y173 L174	G122-V177 VanDerWaalsContact C-CG2 3.47Å; G122-V177 VanDerWaalsContact CA-CG2 3.41Å; G122-V177 WeakPolarHBondContact O-CG2 3.32Å; Y173-V177 HydrophobicContact CD1-CG2 4.29Å; Y173-V177 HydrophobicContact CD2-CG1 4.24Å; Y173-V177 HydrophobicContact CE1-CG2 3.91Å; Y173-V177 HydrophobicContact CE2-CG1 3.66Å; Y173-V177 HydrophobicContact CE2-CG2 4.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.17Å; Y173-V177 PolarHBondContact O-N 3.21Å; L174-V177 PolarHBondContact O-N 2.98Å
178	N	98.8	Very high	98.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	24%	0.241	C	C	.	.			trans	-139.3	109.1	177.5	-172.5	-51.2	0	0	0	110.1	K123 G126 D127 L174 E180 W181 K182	K123-N178 HydrophobicContact CD-CB 4.47Å; K123-N178 PolarHBondContact O-ND2 2.66Å; G126-N178 WeakPolarHBondContact CA-ND2 3.38Å; D127-N178 PolarHBondContact N-ND2 3.48Å; D127-N178 PolarHBondContact OD1-ND2 3.04Å; L174-N178 PolarHBondContact O-N 2.84Å; N178-E180 VanDerWaalsContact C-N 3.35Å; N178-E180 PolarHBondContact O-N 2.92Å; N178-E180 WeakPolarHBondContact OD1-CB 3.46Å; N178-E180 PolarHBondContact OD1-N 3.18Å; N178-E180 VanDerWaalsContact OD1-N 3.13Å; N178-W181 HydrophobicContact CB-CB 3.91Å; N178-W181 WeakPolarHBondContact O-CB 3.17Å; N178-W181 PolarHBondContact O-N 3.22Å; N178-W181 PolarHBondContact OD1-N 3.06Å; N178-K182 PolarHBondContact O-N 3.01Å
179	E	98.7	Very high	98.7	Very high	157 Å²	157	44.2 Å²	44.2	73%	0.734	24%	0.237	S	C	*	.	H	α-helix	trans	-65.2	-35.5	-177.7	-66	-172.5	161.5	0	0	113	W181 K182 N183	E179-W181 VanDerWaalsContact C-N 3.34Å; E179-K182 PolarHBondContact O-N 2.95Å; E179-N183 WeakPolarHBondContact O-CB 3.35Å; E179-N183 VanDerWaalsContact O-CG 3.23Å; E179-N183 PolarHBondContact O-N 3.22Å; E179-N183 PolarHBondContact O-ND2 2.91Å
180	E	98.7	Very high	98.7	Very high	75 Å²	75	48.8 Å²	48.8	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-40.4	176.9	-173.4	176.4	169.3	0	0	110.7	L130 K132 N178 N184	L130-E180 HydrophobicContact CD1-CB 3.89Å; L130-E180 HydrophobicContact CD1-CG 3.83Å; L130-E180 HydrophobicContact CD2-CG 4.4Å; K132-E180 VanDerWaalsContact CE-OE2 3.31Å; K132-E180 WeakPolarHBondContact CE-OE2 3.45Å; K132-E180 VanDerWaalsContact NZ-CD 3.31Å; K132-E180 IonicContact NZ-OE1 2.62Å; K132-E180 PolarHBondContact NZ-OE1 2.98Å; K132-E180 IonicContact NZ-OE2 3.06Å; K132-E180 PolarHBondContact NZ-OE2 2.8Å; N178-E180 VanDerWaalsContact C-N 3.35Å; N178-E180 PolarHBondContact O-N 2.92Å; N178-E180 WeakPolarHBondContact OD1-CB 3.46Å; N178-E180 PolarHBondContact OD1-N 3.18Å; N178-E180 VanDerWaalsContact OD1-N 3.13Å; E180-N184 WeakPolarHBondContact O-CB 3.16Å; E180-N184 PolarHBondContact O-N 2.82Å; E180-N184 PolarHBondContact O-ND2 3.43Å
181	W	98.9	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-51.4	171	-178.2	-80.7	0	0	0	111.4	L130 T171 L174 N178 E179 N183 N184 V185 G186 W193 P194	L130-W181 HydrophobicContact CD2-CE3 4.25Å; L130-W181 HydrophobicContact CG-CE3 4.11Å; T171-W181 HydrophobicContact CG2-CZ2 3.64Å; L174-W181 HydrophobicContact CB-CB 4.48Å; L174-W181 HydrophobicContact CB-CD2 3.8Å; L174-W181 HydrophobicContact CB-CG 3.66Å; L174-W181 HydrophobicContact CD1-CD2 3.64Å; L174-W181 HydrophobicContact CD1-CE3 3.73Å; L174-W181 HydrophobicContact CD1-CG 4.37Å; L174-W181 HydrophobicContact CD1-CH2 3.87Å; L174-W181 HydrophobicContact CD1-CZ2 3.76Å; L174-W181 HydrophobicContact CD1-CZ3 3.86Å; L174-W181 HydrophobicContact CG-CD2 4.39Å; N178-W181 HydrophobicContact CB-CB 3.91Å; N178-W181 WeakPolarHBondContact O-CB 3.17Å; N178-W181 PolarHBondContact O-N 3.22Å; N178-W181 PolarHBondContact OD1-N 3.06Å; E179-W181 VanDerWaalsContact C-N 3.34Å; W181-N183 VanDerWaalsContact C-N 3.28Å; W181-N183 PolarHBondContact O-N 3.4Å; W181-N184 PolarHBondContact O-N 2.81Å; W181-V185 HydrophobicContact CD2-CB 4.02Å; W181-V185 HydrophobicContact CD2-CG1 4.39Å; W181-V185 HydrophobicContact CD2-CG2 4.22Å; W181-V185 HydrophobicContact CE3-CB 4.37Å; W181-V185 HydrophobicContact CE3-CG2 4.11Å; W181-V185 HydrophobicContact CG-CB 4.42Å; W181-V185 HydrophobicContact CH2-CB 4.33Å; W181-V185 HydrophobicContact CH2-CG1 3.75Å; W181-V185 HydrophobicContact CH2-CG2 4.41Å; W181-V185 HydrophobicContact CZ2-CB 3.99Å; W181-V185 HydrophobicContact CZ2-CG1 3.43Å; W181-V185 VanDerWaalsContact CZ2-CG1 3.43Å; W181-V185 HydrophobicContact CZ3-CG1 4.35Å; W181-V185 HydrophobicContact CZ3-CG2 4.2Å; W181-V185 WeakPolarHBondContact O-CA 3.36Å; W181-V185 WeakPolarHBondContact O-CB 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; W181-G186 PolarHBondContact NE1-O 3.46Å; W181-G186 PolarHBondContact O-N 3.37Å; W181-W193 AromaticContact CH2-CE3 3.68Å; W181-W193 HydrophobicContact CH2-CE3 3.68Å; W181-W193 HydrophobicContact CH2-CH2 4.26Å; W181-W193 AromaticContact CH2-CZ3 3.41Å; W181-W193 HydrophobicContact CH2-CZ3 3.41Å; W181-W193 VanDerWaalsContact CH2-CZ3 3.41Å; W181-W193 HydrophobicContact CZ2-CH2 4.46Å; W181-W193 HydrophobicContact CZ2-CZ3 4.03Å; W181-W193 HydrophobicContact CZ3-CZ3 4.42Å; W181-P194 HydrophobicContact CZ3-CG 4.43Å
182	K	98.8	Very high	98.6	Very high	126 Å²	126	59 Å²	59	55%	0.548	31%	0.311	S	S	.	.	H	α-helix	trans	-54	-46	-179.6	-176.6	-177.5	178.7	177.2	0	111.9	A175 N178 E179	A175-K182 HydrophobicContact CB-CB 4.16Å; A175-K182 HydrophobicContact CB-CG 4.25Å; A175-K182 WeakPolarHBondContact O-CB 3.26Å; A175-K182 WeakPolarHBondContact O-CD 3.43Å; N178-K182 PolarHBondContact O-N 3.01Å; E179-K182 PolarHBondContact O-N 2.95Å
183	N	98.6	Very high	98.6	Very high	122 Å²	122	59.7 Å²	59.7	65%	0.652	31%	0.311	S	S	*	.	H	α-helix	trans	-81.1	-28.3	-172.6	-66.2	-23.2	0	0	0	113.4	E179 W181	E179-N183 WeakPolarHBondContact O-CB 3.35Å; E179-N183 VanDerWaalsContact O-CG 3.23Å; E179-N183 PolarHBondContact O-N 3.22Å; E179-N183 PolarHBondContact O-ND2 2.91Å; W181-N183 VanDerWaalsContact C-N 3.28Å; W181-N183 PolarHBondContact O-N 3.4Å
184	N	98.5	Very high	98.6	Very high	123 Å²	123	62.7 Å²	62.7	66%	0.658	33%	0.331	S	S	*	.	H	α-helix	trans	-108.1	-24.6	-174.3	-63.4	-74.3	0	0	0	114.8	E180 W181	E180-N184 WeakPolarHBondContact O-CB 3.16Å; E180-N184 PolarHBondContact O-N 2.82Å; E180-N184 PolarHBondContact O-ND2 3.43Å; W181-N184 PolarHBondContact O-N 2.81Å
185	V	98.7	Very high	98.6	Very high	24 Å²	24	66.5 Å²	66.5	15%	0.145	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-44.7	-177.2	-171.7	0	0	0	0	111.4	L130 W181 V191 P194	L130-V185 HydrophobicContact CD2-CG2 4.18Å; W181-V185 HydrophobicContact CD2-CB 4.02Å; W181-V185 HydrophobicContact CD2-CG1 4.39Å; W181-V185 HydrophobicContact CD2-CG2 4.22Å; W181-V185 HydrophobicContact CE3-CB 4.37Å; W181-V185 HydrophobicContact CE3-CG2 4.11Å; W181-V185 HydrophobicContact CG-CB 4.42Å; W181-V185 HydrophobicContact CH2-CB 4.33Å; W181-V185 HydrophobicContact CH2-CG1 3.75Å; W181-V185 HydrophobicContact CH2-CG2 4.41Å; W181-V185 HydrophobicContact CZ2-CB 3.99Å; W181-V185 HydrophobicContact CZ2-CG1 3.43Å; W181-V185 VanDerWaalsContact CZ2-CG1 3.43Å; W181-V185 HydrophobicContact CZ3-CG1 4.35Å; W181-V185 HydrophobicContact CZ3-CG2 4.2Å; W181-V185 WeakPolarHBondContact O-CA 3.36Å; W181-V185 WeakPolarHBondContact O-CB 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; V185-V191 HydrophobicContact CG1-CB 3.85Å; V185-V191 HydrophobicContact CG1-CG1 4.46Å; V185-V191 HydrophobicContact CG1-CG2 3.77Å; V185-P194 HydrophobicContact CG2-CG 3.6Å
186	G	98.6	Very high	98.6	Very high	19 Å²	19	66.8 Å²	66.8	20%	0.196	36%	0.355	C	S	.	.			trans	72.6	-153.6	-179.6	0	0	0	0	0	113.9	W181	W181-G186 PolarHBondContact NE1-O 3.46Å; W181-G186 PolarHBondContact O-N 3.37Å
187	T	98.7	Very high	98.5	Very high	77 Å²	77	66.6 Å²	66.6	47%	0.472	36%	0.357	S	S	.	.			trans	-122	142.9	-173	61.3	0	0	0	0	111	A175	A175-T187 HydrophobicContact CB-CG2 3.48Å; A175-T187 VanDerWaalsContact CB-CG2 3.48Å
188	G	98.2	Very high	98.5	Very high	13 Å²	13	66.2 Å²	66.2	13%	0.134	36%	0.36	C	S	.	.	S	Bend	trans	169.2	165	171.8	0	0	0	0	0	114.6	S167 F168 T171 T190	S167-G188 CarbonylContact C-O 3.57Å; F168-G188 WeakPolarHBondContact CA-O 3.4Å; F168-G188 PolarHBondContact N-O 3.14Å; T171-G188 PolarHBondContact OG1-N 2.91Å; T171-G188 PolarHBondContact OG1-O 2.92Å; G188-T190 PolarHBondContact O-N 3.01Å
189	S	98.1	Very high	98.5	Very high	28 Å²	28	66.1 Å²	66.1	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-66.4	-22.7	172.4	-54.6	0	0	0	0	112.6	S164	S164-S189 PolarHBondContact N-O 3.22Å; S164-S189 VanDerWaalsContact O-CA 3.28Å; S164-S189 WeakPolarHBondContact O-CA 3.26Å
190	T	98.2	Very high	98.5	Very high	101 Å²	101	66.5 Å²	66.5	62%	0.62	36%	0.359	S	S	*	.	S	Bend	trans	-138.9	131.8	168.9	-57.3	0	0	0	0	108.1	G188	G188-T190 PolarHBondContact O-N 3.01Å
191	V	98.5	Very high	98.5	Very high	20 Å²	20	63.2 Å²	63.2	12%	0.121	35%	0.346	C	S	.	.			trans	-132.7	163.1	175.1	-62.1	0	0	0	0	110	T171 V185 W193	T171-V191 HydrophobicContact CG2-CG1 4.31Å; T171-V191 HydrophobicContact CG2-CG2 4.08Å; V185-V191 HydrophobicContact CG1-CB 3.85Å; V185-V191 HydrophobicContact CG1-CG1 4.46Å; V185-V191 HydrophobicContact CG1-CG2 3.77Å; V191-W193 VanDerWaalsContact C-N 3.34Å; V191-W193 HydrophobicContact CG2-CD2 3.84Å; V191-W193 HydrophobicContact CG2-CE3 4.4Å; V191-W193 HydrophobicContact CG2-CG 4.18Å; V191-W193 HydrophobicContact CG2-CH2 4.33Å; V191-W193 HydrophobicContact CG2-CZ2 3.77Å; V191-W193 VanDerWaalsContact O-CD1 3.26Å; V191-W193 PolarHBondContact O-N 2.97Å
192	K	98.5	Very high	98.5	Very high	193 Å²	193	63.2 Å²	63.2	84%	0.839	35%	0.346	S	S	*	.			trans	-78.2	86.1	171.2	-172.8	-175.4	177.1	-173.5	0	109.2
193	W	98.7	Very high	98.4	Very high	35 Å²	35	61.6 Å²	61.6	13%	0.133	34%	0.343	C	S	.	.			trans	-56.8	127.7	179.9	-66.5	95.3	0	0	0	111.7	Y129 R159 F170 T171 W181 V191 I195 Y218	Y129-W193 HydrophobicContact CD1-CE3 4.2Å; Y129-W193 AromaticContact CD1-CZ3 3.72Å; Y129-W193 HydrophobicContact CD1-CZ3 3.72Å; Y129-W193 HydrophobicContact CE1-CZ3 4.17Å; R159-W193 HydrophobicContact CB-CD2 3.76Å; R159-W193 HydrophobicContact CB-CE3 3.86Å; R159-W193 HydrophobicContact CB-CG 4.37Å; R159-W193 HydrophobicContact CB-CH2 4.15Å; R159-W193 HydrophobicContact CB-CZ2 4.04Å; R159-W193 HydrophobicContact CB-CZ3 4.05Å; R159-W193 HydrophobicContact CG-CB 4.3Å; R159-W193 HydrophobicContact CG-CD2 3.65Å; R159-W193 HydrophobicContact CG-CE3 4.02Å; R159-W193 HydrophobicContact CG-CG 3.74Å; F170-W193 HydrophobicContact CD1-CH2 4.03Å; F170-W193 HydrophobicContact CD1-CZ3 4.47Å; F170-W193 HydrophobicContact CE1-CH2 4.33Å; F170-W193 HydrophobicContact CE1-CZ3 4.33Å; T171-W193 HydrophobicContact CG2-CH2 3.71Å; T171-W193 HydrophobicContact CG2-CZ2 4.07Å; T171-W193 HydrophobicContact CG2-CZ3 4.49Å; W181-W193 AromaticContact CH2-CE3 3.68Å; W181-W193 HydrophobicContact CH2-CE3 3.68Å; W181-W193 HydrophobicContact CH2-CH2 4.26Å; W181-W193 AromaticContact CH2-CZ3 3.41Å; W181-W193 HydrophobicContact CH2-CZ3 3.41Å; W181-W193 VanDerWaalsContact CH2-CZ3 3.41Å; W181-W193 HydrophobicContact CZ2-CH2 4.46Å; W181-W193 HydrophobicContact CZ2-CZ3 4.03Å; W181-W193 HydrophobicContact CZ3-CZ3 4.42Å; V191-W193 VanDerWaalsContact C-N 3.34Å; V191-W193 HydrophobicContact CG2-CD2 3.84Å; V191-W193 HydrophobicContact CG2-CE3 4.4Å; V191-W193 HydrophobicContact CG2-CG 4.18Å; V191-W193 HydrophobicContact CG2-CH2 4.33Å; V191-W193 HydrophobicContact CG2-CZ2 3.77Å; V191-W193 VanDerWaalsContact O-CD1 3.26Å; V191-W193 PolarHBondContact O-N 2.97Å; W193-I195 VanDerWaalsContact C-N 3.31Å; W193-I195 PolarHBondContact O-N 3.33Å; W193-Y218 AromaticContact CH2-CE1 3.57Å; W193-Y218 HydrophobicContact CH2-CE1 3.57Å; W193-Y218 AromaticContact CH2-CZ 3.77Å; W193-Y218 WeakPolarHBondContact CH2-OH 3.29Å; W193-Y218 HydrophobicContact CZ2-CE1 4.11Å; W193-Y218 AromaticContact CZ2-CZ 3.91Å; W193-Y218 WeakPolarHBondContact CZ2-OH 3.36Å; W193-Y218 HydrophobicContact CZ3-CE1 4.13Å
194	P	98.5	Very high	98.4	Very high	64 Å²	64	56.6 Å²	56.6	42%	0.416	32%	0.32	S	S	.	.	S	Bend	trans	-61.9	-38.1	175.5	-24.1	33.7	0	0	0	113	L130 W181 V185	L130-P194 HydrophobicContact CD2-CG 4.04Å; W181-P194 HydrophobicContact CZ3-CG 4.43Å; V185-P194 HydrophobicContact CG2-CG 3.6Å
195	I	98.6	Very high	98.4	Very high	79 Å²	79	50.8 Å²	50.8	41%	0.405	29%	0.289	S	S	.	.	S	Bend	trans	-149.3	162.7	179.1	-166.5	166.3	0	0	0	109.7	V157 W193	V157-I195 HydrophobicContact CB-CG2 4.12Å; V157-I195 HydrophobicContact CG1-CG2 4.27Å; V157-I195 HydrophobicContact CG2-CG2 4.03Å; W193-I195 VanDerWaalsContact C-N 3.31Å; W193-I195 PolarHBondContact O-N 3.33Å
196	G	98.1	Very high	98.4	Very high	22 Å²	22	49.8 Å²	49.8	23%	0.227	28%	0.284	C	S	.	.			trans	120.5	145.7	161.2	0	0	0	0	0	114.9	V157 R159	V157-G196 CarbonylContact O-C 3.19Å; V157-G196 WeakPolarHBondContact O-CA 3.44Å; R159-G196 PolarHBondContact NE-O 3.06Å; R159-G196 PolarHBondContact NH2-O 3.02Å
197	L	98.3	Very high	98.4	Very high	83 Å²	83	51.5 Å²	51.5	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.6	177.4	-60.9	175	0	0	0	110.3	V157 R159 F208 L212	V157-L197 PolarHBondContact O-N 2.84Å; R159-L197 PolarHBondContact N-O 3.47Å; R159-L197 VanDerWaalsContact O-O 3.12Å; L197-F208 HydrophobicContact CB-CD1 4.49Å; L197-F208 HydrophobicContact CB-CE1 4.18Å; L197-F208 HydrophobicContact CB-CZ 4.49Å; L197-F208 HydrophobicContact CD1-CD1 4.13Å; L197-F208 HydrophobicContact CD1-CE1 3.94Å; L197-L212 HydrophobicContact CD1-CD1 3.5Å
198	G	98.4	Very high	98.4	Very high	27 Å²	27	49.7 Å²	49.7	28%	0.278	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.2	179.5	0	0	0	0	0	112.5	R159 F208	R159-G198 CarbonylContact O-C 3.56Å; R159-G198 WeakPolarHBondContact O-CA 3.09Å; G198-F208 WeakPolarHBondContact O-CE2 3.31Å
199	G	98.4	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.6	167.1	0	0	0	0	0	111.7	R159 R160 A161	R159-G199 PolarHBondContact O-N 3.22Å; R160-G199 CarbonylContact C-O 3.58Å; R160-G199 WeakPolarHBondContact CA-O 3.38Å; A161-G199 PolarHBondContact N-O 2.97Å
200	K	98.3	Very high	98.5	Very high	166 Å²	166	52.8 Å²	52.8	72%	0.722	29%	0.289	S	S	*	.	S	Bend	trans	-85.2	121.6	175.3	-176.2	-179.1	178.7	-177.4	0	110	G204	K200-G204 VanDerWaalsContact O-CA 3.24Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 2.87Å; K200-G204 VanDerWaalsContact O-N 3.08Å
201	G	98.3	Very high	98.5	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	69.9	177.5	-176.1	0	0	0	0	0	113.4	R160 D162 I205	R160-G201 WeakPolarHBondContact CD-O 3.41Å; D162-G201 PolarHBondContact OD1-N 3.41Å; G201-I205 PolarHBondContact O-N 2.67Å
202	N	98.7	Very high	98.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-40.9	171.3	-81.2	-71.5	0	0	0	111	T35 F36 R160 T166 G204 I205 A206 V219 E220 Y223	T35-N202 PolarHBondContact OG1-N 2.77Å; T35-N202 PolarHBondContact OG1-ND2 3.32Å; F36-N202 PolarHBondContact N-ND2 2.7Å; R160-N202 PolarHBondContact NH1-ND2 3.03Å; T166-N202 PolarHBondContact OG1-ND2 3.21Å; N202-G204 VanDerWaalsContact C-N 3.3Å; N202-G204 PolarHBondContact O-N 3.28Å; N202-I205 PolarHBondContact O-N 3.17Å; N202-I205 VanDerWaalsContact O-N 3.14Å; N202-A206 PolarHBondContact O-N 3.19Å; N202-V219 VanDerWaalsContact OD1-CA 3.28Å; N202-V219 WeakPolarHBondContact OD1-CA 3.39Å; N202-E220 PolarHBondContact OD1-N 2.77Å; N202-Y223 HydrophobicContact CB-CD1 3.6Å; N202-Y223 HydrophobicContact CB-CD2 3.49Å; N202-Y223 VanDerWaalsContact CB-CD2 3.49Å; N202-Y223 HydrophobicContact CB-CE1 3.64Å; N202-Y223 HydrophobicContact CB-CE2 3.51Å; N202-Y223 HydrophobicContact CB-CG 3.52Å
203	D	97.9	Very high	98.4	Very high	92 Å²	92	51.3 Å²	51.3	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-54.2	-44.1	174.9	-64.6	-64.1	0	0	0	112.9	I205 A206 A207 Y223	D203-I205 PolarHBondContact O-N 3.02Å; D203-A206 PolarHBondContact O-N 3.34Å; D203-A207 WeakPolarHBondContact O-CB 3.19Å; D203-A207 PolarHBondContact O-N 3.48Å; D203-Y223 VanDerWaalsContact CG-CE1 3.49Å; D203-Y223 WeakPolarHBondContact OD1-CE1 3.47Å
204	G	98.4	Very high	98.4	Very high	17 Å²	17	49.6 Å²	49.6	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-42	179.1	0	0	0	0	0	112.2	K200 N202 F208	K200-G204 VanDerWaalsContact O-CA 3.24Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 2.87Å; K200-G204 VanDerWaalsContact O-N 3.08Å; N202-G204 VanDerWaalsContact C-N 3.3Å; N202-G204 PolarHBondContact O-N 3.28Å; G204-F208 WeakPolarHBondContact O-CD2 3.45Å; G204-F208 PolarHBondContact O-N 3.23Å
205	I	98.8	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-47.8	175.1	-63.8	-175	0	0	0	110.4	V158 R160 G201 N202 D203 A207 F208 V209 Y218 V219	V158-I205 HydrophobicContact CB-CG2 4.43Å; V158-I205 HydrophobicContact CG1-CB 4.32Å; V158-I205 HydrophobicContact CG1-CG1 4.15Å; V158-I205 HydrophobicContact CG1-CG2 3.98Å; R160-I205 HydrophobicContact CB-CD1 4.48Å; R160-I205 VanDerWaalsContact CD-CD1 3.42Å; R160-I205 HydrophobicContact CG-CD1 3.62Å; G201-I205 PolarHBondContact O-N 2.67Å; N202-I205 PolarHBondContact O-N 3.17Å; N202-I205 VanDerWaalsContact O-N 3.14Å; D203-I205 PolarHBondContact O-N 3.02Å; I205-A207 VanDerWaalsContact C-N 3.3Å; I205-A207 PolarHBondContact O-N 3.2Å; I205-F208 WeakPolarHBondContact O-CB 3.42Å; I205-F208 PolarHBondContact O-N 3.08Å; I205-F208 VanDerWaalsContact O-N 3.09Å; I205-V209 HydrophobicContact CG2-CG2 4.27Å; I205-V209 WeakPolarHBondContact O-CG2 3.42Å; I205-V209 PolarHBondContact O-N 3.21Å; I205-Y218 HydrophobicContact CD1-CD2 4.4Å; I205-Y218 HydrophobicContact CD1-CE2 4.2Å; I205-Y218 VanDerWaalsContact CD1-O 3.27Å; I205-Y218 WeakPolarHBondContact CD1-O 3.47Å; I205-V219 HydrophobicContact CB-CG1 3.76Å; I205-V219 HydrophobicContact CG2-CG1 3.51Å
206	A	98.8	Very high	98.5	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-45.5	177.8	0	0	0	0	0	111.6	N202 D203 F208 V209 Q210 L229	N202-A206 PolarHBondContact O-N 3.19Å; D203-A206 PolarHBondContact O-N 3.34Å; A206-F208 PolarHBondContact O-N 2.62Å; A206-V209 PolarHBondContact O-N 3.34Å; A206-Q210 WeakPolarHBondContact O-CB 3.25Å; A206-Q210 PolarHBondContact O-N 3.32Å; A206-L229 HydrophobicContact CB-CD1 3.79Å
207	A	98.7	Very high	98.5	Very high	55 Å²	55	41.8 Å²	41.8	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-64.1	-38.1	176.7	0	0	0	0	0	113.1	D203 I205 R211	D203-A207 WeakPolarHBondContact O-CB 3.19Å; D203-A207 PolarHBondContact O-N 3.48Å; I205-A207 VanDerWaalsContact C-N 3.3Å; I205-A207 PolarHBondContact O-N 3.2Å; A207-R211 VanDerWaalsContact O-CG 3.32Å; A207-R211 WeakPolarHBondContact O-CG 3.33Å; A207-R211 PolarHBondContact O-N 3.31Å
208	F	98.6	Very high	98.5	Very high	39 Å²	39	37.8 Å²	37.8	17%	0.171	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-46.1	173.4	-93.2	-73	0	0	0	111.8	V158 L197 G198 G204 I205 A206 R211 L212	V158-F208 HydrophobicContact CB-CB 4.49Å; V158-F208 HydrophobicContact CG1-CB 3.7Å; V158-F208 HydrophobicContact CG1-CD2 4.26Å; V158-F208 HydrophobicContact CG1-CG 4.11Å; V158-F208 HydrophobicContact CG2-CB 3.98Å; L197-F208 HydrophobicContact CB-CD1 4.49Å; L197-F208 HydrophobicContact CB-CE1 4.18Å; L197-F208 HydrophobicContact CB-CZ 4.49Å; L197-F208 HydrophobicContact CD1-CD1 4.13Å; L197-F208 HydrophobicContact CD1-CE1 3.94Å; G198-F208 WeakPolarHBondContact O-CE2 3.31Å; G204-F208 WeakPolarHBondContact O-CD2 3.45Å; G204-F208 PolarHBondContact O-N 3.23Å; I205-F208 WeakPolarHBondContact O-CB 3.42Å; I205-F208 PolarHBondContact O-N 3.08Å; I205-F208 VanDerWaalsContact O-N 3.09Å; A206-F208 PolarHBondContact O-N 2.62Å; F208-R211 VanDerWaalsContact CD1-NH2 3.33Å; F208-R211 PolarHBondContact O-N 3.08Å; F208-L212 HydrophobicContact CD1-CD1 3.74Å; F208-L212 HydrophobicContact CD1-CG 4.48Å; F208-L212 HydrophobicContact CE1-CD1 4.47Å; F208-L212 VanDerWaalsContact O-CB 3.3Å; F208-L212 WeakPolarHBondContact O-CB 3.27Å; F208-L212 WeakPolarHBondContact O-CG 3.47Å; F208-L212 PolarHBondContact O-N 2.84Å; F208-L212 VanDerWaalsContact O-N 3.14Å
209	V	98.7	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-45.2	178.5	174.9	0	0	0	0	110.6	A107 N109 I205 A206 R211 L212 A215 L229	A107-V209 HydrophobicContact CB-CG1 4.06Å; A107-V209 HydrophobicContact CB-CG2 4.34Å; N109-V209 HydrophobicContact CB-CG1 4.21Å; N109-V209 VanDerWaalsContact CB-O 3.24Å; N109-V209 WeakPolarHBondContact CB-O 3.47Å; N109-V209 PolarHBondContact ND2-O 3.13Å; I205-V209 HydrophobicContact CG2-CG2 4.27Å; I205-V209 WeakPolarHBondContact O-CG2 3.42Å; I205-V209 PolarHBondContact O-N 3.21Å; A206-V209 PolarHBondContact O-N 3.34Å; V209-R211 VanDerWaalsContact C-N 3.27Å; V209-R211 PolarHBondContact O-N 3.48Å; V209-L212 PolarHBondContact O-N 3.32Å; V209-A215 HydrophobicContact CB-CB 4.46Å; V209-A215 HydrophobicContact CG1-CB 4.49Å; V209-A215 HydrophobicContact CG2-CB 4.36Å; V209-L229 HydrophobicContact CB-CD1 4.4Å; V209-L229 HydrophobicContact CG1-CD1 4.44Å; V209-L229 HydrophobicContact CG1-CD2 4.3Å
210	Q	98.4	Very high	98.6	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	19%	0.188	S	C	.	.	H	α-helix	trans	-55.6	-40.3	179.6	-174	59.3	68.6	0	0	113.1	N109 A206 L229	N109-Q210 PolarHBondContact ND2-O 3.41Å; A206-Q210 WeakPolarHBondContact O-CB 3.25Å; A206-Q210 PolarHBondContact O-N 3.32Å; Q210-L229 HydrophobicContact CB-CD2 3.93Å; Q210-L229 HydrophobicContact CG-CD2 4.48Å
211	R	98	Very high	98.6	Very high	160 Å²	160	29 Å²	29	60%	0.604	16%	0.155	S	C	*	.	H	α-helix	trans	-96	-11.8	-171.6	76.3	-172.8	176.8	160	-6.7	115.2	A207 F208 V209 P213	A207-R211 VanDerWaalsContact O-CG 3.32Å; A207-R211 WeakPolarHBondContact O-CG 3.33Å; A207-R211 PolarHBondContact O-N 3.31Å; F208-R211 VanDerWaalsContact CD1-NH2 3.33Å; F208-R211 PolarHBondContact O-N 3.08Å; V209-R211 VanDerWaalsContact C-N 3.27Å; V209-R211 PolarHBondContact O-N 3.48Å; R211-P213 WeakPolarHBondContact O-CD 3.26Å
212	L	98.3	Very high	98.6	Very high	47 Å²	47	28.8 Å²	28.8	25%	0.246	15%	0.153	C	C	.	.	S	Bend	trans	-112.7	105.1	-173.9	-67.7	-176	0	0	0	111.3	N109 L197 F208 V209 G214 A215	N109-L212 WeakPolarHBondContact CB-O 3.11Å; N109-L212 PolarHBondContact ND2-O 3.49Å; L197-L212 HydrophobicContact CD1-CD1 3.5Å; F208-L212 HydrophobicContact CD1-CD1 3.74Å; F208-L212 HydrophobicContact CD1-CG 4.48Å; F208-L212 HydrophobicContact CE1-CD1 4.47Å; F208-L212 VanDerWaalsContact O-CB 3.3Å; F208-L212 WeakPolarHBondContact O-CB 3.27Å; F208-L212 WeakPolarHBondContact O-CG 3.47Å; F208-L212 PolarHBondContact O-N 2.84Å; F208-L212 VanDerWaalsContact O-N 3.14Å; V209-L212 PolarHBondContact O-N 3.32Å; L212-G214 PolarHBondContact O-N 3.15Å; L212-A215 HydrophobicContact CB-CB 3.84Å; L212-A215 WeakPolarHBondContact O-CB 3.46Å; L212-A215 PolarHBondContact O-N 3.05Å
213	P	98.3	Very high	98.6	Very high	76 Å²	76	29.4 Å²	29.4	49%	0.494	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	131.2	169.6	-24.8	34.7	0	0	0	111.7	Q153 R211	Q153-P213 PolarHBondContact NE2-O 2.84Å; Q153-P213 VanDerWaalsContact NE2-O 3.13Å; R211-P213 WeakPolarHBondContact O-CD 3.26Å
214	G	98.7	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	2.9	-174.2	0	0	0	0	0	114.7	N109 W136 I155 A156 L212	N109-G214 VanDerWaalsContact O-CA 3.25Å; N109-G214 WeakPolarHBondContact O-CA 3.31Å; N109-G214 PolarHBondContact O-N 2.86Å; W136-G214 PolarHBondContact NE1-O 2.77Å; I155-G214 WeakPolarHBondContact CA-O 3.17Å; A156-G214 PolarHBondContact N-O 3.38Å; L212-G214 PolarHBondContact O-N 3.15Å
215	A	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	149.8	-175.8	0	0	0	0	0	114.4	V108 N109 A156 V158 V209 L212	V108-A215 VanDerWaalsContact CA-O 3.25Å; V108-A215 WeakPolarHBondContact CA-O 3.38Å; N109-A215 PolarHBondContact N-O 3.33Å; A156-A215 HydrophobicContact CB-CB 4.35Å; A156-A215 VanDerWaalsContact O-CA 3.23Å; A156-A215 WeakPolarHBondContact O-CA 3.5Å; V158-A215 HydrophobicContact CG2-CB 4.34Å; V209-A215 HydrophobicContact CB-CB 4.46Å; V209-A215 HydrophobicContact CG1-CB 4.49Å; V209-A215 HydrophobicContact CG2-CB 4.36Å; L212-A215 HydrophobicContact CB-CB 3.84Å; L212-A215 WeakPolarHBondContact O-CB 3.46Å; L212-A215 PolarHBondContact O-N 3.05Å
216	I	98.9	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.1	165.8	-178	174.3	0	0	0	108.6	L106 A107 V108 L120 L125 I128 Y129 W136 I155 A156 V157 V158	L106-I216 HydrophobicContact CB-CD1 4.34Å; L106-I216 HydrophobicContact CB-CG1 4.29Å; L106-I216 HydrophobicContact CD1-CD1 4.29Å; L106-I216 HydrophobicContact CD1-CG1 4.33Å; L106-I216 HydrophobicContact CG-CD1 4.3Å; A107-I216 WeakPolarHBondContact O-CA 3.39Å; V108-I216 HydrophobicContact CG1-CB 4.23Å; V108-I216 HydrophobicContact CG1-CG1 4.04Å; L120-I216 HydrophobicContact CD1-CD1 4.13Å; L125-I216 HydrophobicContact CD1-CD1 3.77Å; I128-I216 HydrophobicContact CG2-CD1 4.39Å; I128-I216 HydrophobicContact CG2-CG2 4.06Å; Y129-I216 HydrophobicContact CE2-CD1 4.08Å; Y129-I216 HydrophobicContact CE2-CG1 4.35Å; W136-I216 HydrophobicContact CH2-CB 4.04Å; W136-I216 HydrophobicContact CH2-CD1 4.11Å; W136-I216 HydrophobicContact CH2-CG1 4.43Å; W136-I216 HydrophobicContact CZ2-CB 3.96Å; W136-I216 HydrophobicContact CZ2-CG2 4.5Å; I155-I216 HydrophobicContact CG2-CG2 3.49Å; I155-I216 VanDerWaalsContact CG2-CG2 3.49Å; A156-I216 PolarHBondContact O-N 3.34Å; A156-I216 VanDerWaalsContact O-N 3.09Å; V157-I216 HydrophobicContact CG2-CG2 4.14Å; V158-I216 PolarHBondContact N-O 3.36Å
217	G	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.2	178.1	0	0	0	0	0	111.9	A107	A107-G217 PolarHBondContact N-O 2.97Å; A107-G217 PolarHBondContact O-N 3.22Å
218	Y	98.9	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.6	175.7	60.3	-93.1	0	0	0	110.7	V105 Y129 R159 R160 T166 S167 F170 W193 I205	V105-Y218 VanDerWaalsContact O-CA 3.29Å; V105-Y218 WeakPolarHBondContact O-CA 3.46Å; Y129-Y218 AromaticContact CE1-CD1 3.8Å; Y129-Y218 HydrophobicContact CE1-CD1 3.8Å; Y129-Y218 AromaticContact CE1-CE1 3.97Å; Y129-Y218 HydrophobicContact CE1-CE1 3.97Å; Y129-Y218 AromaticContact CZ-CD1 3.86Å; Y129-Y218 WeakPolarHBondContact OH-CD1 3.42Å; Y129-Y218 PolarHBondContact OH-N 3.44Å; R159-Y218 HydrophobicContact CB-CE1 3.68Å; R160-Y218 WeakPolarHBondContact CB-OH 3.3Å; R160-Y218 HydrophobicContact CG-CE2 3.66Å; R160-Y218 WeakPolarHBondContact CG-OH 3.39Å; R160-Y218 PolarHBondContact N-OH 2.8Å; T166-Y218 HydrophobicContact CG2-CD2 4.01Å; T166-Y218 HydrophobicContact CG2-CE2 4.43Å; S167-Y218 PolarHBondContact OG-OH 3.01Å; F170-Y218 HydrophobicContact CB-CD2 4.08Å; F170-Y218 HydrophobicContact CB-CE2 4.39Å; F170-Y218 HydrophobicContact CB-CG 4.24Å; F170-Y218 AromaticContact CD1-CD1 3.48Å; F170-Y218 HydrophobicContact CD1-CD1 3.48Å; F170-Y218 VanDerWaalsContact CD1-CD1 3.48Å; F170-Y218 HydrophobicContact CD1-CD2 4.35Å; F170-Y218 AromaticContact CD1-CE1 3.73Å; F170-Y218 HydrophobicContact CD1-CE1 3.73Å; F170-Y218 AromaticContact CD1-CG 3.85Å; F170-Y218 HydrophobicContact CD1-CG 3.85Å; F170-Y218 HydrophobicContact CD2-CD1 4.38Å; F170-Y218 HydrophobicContact CD2-CG 4.08Å; F170-Y218 AromaticContact CE1-CD1 3.53Å; F170-Y218 HydrophobicContact CE1-CD1 3.53Å; F170-Y218 AromaticContact CE1-CE1 3.95Å; F170-Y218 HydrophobicContact CE1-CE1 3.95Å; F170-Y218 HydrophobicContact CE1-CG 4.19Å; F170-Y218 HydrophobicContact CE2-CD1 4.44Å; F170-Y218 HydrophobicContact CE2-CG 4.42Å; F170-Y218 AromaticContact CG-CD1 3.92Å; F170-Y218 HydrophobicContact CG-CD1 3.92Å; F170-Y218 HydrophobicContact CG-CD2 4.13Å; F170-Y218 HydrophobicContact CG-CE1 4.43Å; F170-Y218 AromaticContact CG-CG 3.78Å; F170-Y218 HydrophobicContact CG-CG 3.78Å; F170-Y218 HydrophobicContact CZ-CD1 4.05Å; F170-Y218 HydrophobicContact CZ-CG 4.48Å; W193-Y218 AromaticContact CH2-CE1 3.57Å; W193-Y218 HydrophobicContact CH2-CE1 3.57Å; W193-Y218 AromaticContact CH2-CZ 3.77Å; W193-Y218 WeakPolarHBondContact CH2-OH 3.29Å; W193-Y218 HydrophobicContact CZ2-CE1 4.11Å; W193-Y218 AromaticContact CZ2-CZ 3.91Å; W193-Y218 WeakPolarHBondContact CZ2-OH 3.36Å; W193-Y218 HydrophobicContact CZ3-CE1 4.13Å; I205-Y218 HydrophobicContact CD1-CD2 4.4Å; I205-Y218 HydrophobicContact CD1-CE2 4.2Å; I205-Y218 VanDerWaalsContact CD1-O 3.27Å; I205-Y218 WeakPolarHBondContact CD1-O 3.47Å
219	V	98.9	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.7	177.8	-65	0	0	0	0	110.2	V104 V105 A107 N202 I205 A224	V104-V219 CarbonylContact C-O 3.59Å; V104-V219 WeakPolarHBondContact CA-O 3.36Å; V105-V219 HydrophobicContact CG2-CG2 3.95Å; V105-V219 PolarHBondContact N-O 2.98Å; V105-V219 PolarHBondContact O-N 3.46Å; A107-V219 HydrophobicContact CB-CG2 3.92Å; N202-V219 VanDerWaalsContact OD1-CA 3.28Å; N202-V219 WeakPolarHBondContact OD1-CA 3.39Å; I205-V219 HydrophobicContact CB-CG1 3.76Å; I205-V219 HydrophobicContact CG2-CG1 3.51Å; V219-A224 HydrophobicContact CG2-CB 3.96Å
220	E	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.5	162.2	-168.7	-70.7	131.6	0	0	109.5	F36 G103 N202 A222 Y223 Y318	F36-E220 HydrophobicContact CB-CB 4.34Å; F36-E220 HydrophobicContact CB-CG 4.36Å; F36-E220 HydrophobicContact CD1-CG 3.77Å; F36-E220 HydrophobicContact CD2-CB 3.55Å; F36-E220 HydrophobicContact CD2-CG 3.37Å; F36-E220 HydrophobicContact CE1-CG 3.83Å; F36-E220 HydrophobicContact CE2-CB 3.97Å; F36-E220 HydrophobicContact CE2-CG 3.45Å; F36-E220 VanDerWaalsContact CE2-CG 3.45Å; F36-E220 HydrophobicContact CG-CB 3.91Å; F36-E220 HydrophobicContact CG-CG 3.54Å; F36-E220 HydrophobicContact CZ-CG 3.68Å; F36-E220 WeakPolarHBondContact O-CG 3.33Å; G103-E220 WeakPolarHBondContact O-CA 3.36Å; N202-E220 PolarHBondContact OD1-N 2.77Å; E220-A222 VanDerWaalsContact C-N 3.32Å; E220-A222 PolarHBondContact O-N 2.99Å; E220-A222 PolarHBondContact OE1-N 3.08Å; E220-A222 WeakPolarHBondContact OE2-CB 3.47Å; E220-A222 PolarHBondContact OE2-N 2.83Å; E220-Y223 HydrophobicContact CB-CD2 4.06Å; E220-Y223 HydrophobicContact CB-CE2 4.49Å; E220-Y223 WeakPolarHBondContact O-CB 3.21Å; E220-Y223 PolarHBondContact O-N 3.43Å; E220-Y318 HydrophobicContact CG-CE1 4.06Å; E220-Y318 WeakPolarHBondContact OE1-CE1 3.35Å; E220-Y318 PolarHBondContact OE2-OH 3.3Å
221	Y	98.9	Very high	98.5	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-53.9	-39.4	-167.9	-177.3	-125.6	0	0	0	114.7	G103 V105 Y223 A224 K225 Y231 P244 F249 D317	G103-Y221 PolarHBondContact O-N 2.76Å; V105-Y221 HydrophobicContact CB-CD2 4.48Å; V105-Y221 HydrophobicContact CG1-CD2 3.67Å; V105-Y221 HydrophobicContact CG1-CG 4.22Å; V105-Y221 HydrophobicContact CG2-CD2 4.14Å; Y221-Y223 PolarHBondContact O-N 2.8Å; Y221-A224 PolarHBondContact O-N 3.38Å; Y221-K225 HydrophobicContact CE1-CD 4.04Å; Y221-K225 PolarHBondContact O-N 2.89Å; Y221-Y231 AromaticContact CE2-CD1 3.99Å; Y221-Y231 HydrophobicContact CE2-CD1 3.99Å; Y221-Y231 AromaticContact CE2-CE1 3.66Å; Y221-Y231 HydrophobicContact CE2-CE1 3.66Å; Y221-Y231 HydrophobicContact CE2-CE2 4.31Å; Y221-Y231 HydrophobicContact CE2-CG 4.44Å; Y221-Y231 AromaticContact CE2-CZ 3.83Å; Y221-Y231 PolarHBondContact OH-OH 3.31Å; Y221-P244 HydrophobicContact CD2-CB 4.02Å; Y221-P244 HydrophobicContact CD2-CG 4.12Å; Y221-P244 HydrophobicContact CE2-CB 4.04Å; Y221-P244 HydrophobicContact CE2-CG 3.8Å; Y221-P244 VanDerWaalsContact CZ-O 3.26Å; Y221-P244 PolarHBondContact OH-O 2.84Å; Y221-F249 AromaticContact CD1-CE2 3.74Å; Y221-F249 HydrophobicContact CD1-CE2 3.74Å; Y221-F249 AromaticContact CD1-CZ 3.81Å; Y221-F249 HydrophobicContact CD1-CZ 3.81Å; Y221-F249 HydrophobicContact CD2-CZ 4.49Å; Y221-F249 HydrophobicContact CG-CE2 4.07Å; Y221-F249 AromaticContact CG-CZ 3.78Å; Y221-F249 HydrophobicContact CG-CZ 3.78Å; Y221-D317 HydrophobicContact CD1-CB 3.48Å; Y221-D317 VanDerWaalsContact CD1-CB 3.48Å; Y221-D317 HydrophobicContact CE1-CB 3.59Å
222	A	98.5	Very high	98.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-35.1	178.2	0	0	0	0	0	111.3	P39 E220 A224 K225 Q226 Y318	P39-A222 HydrophobicContact CB-CB 4.49Å; P39-A222 HydrophobicContact CG-CB 4.32Å; E220-A222 VanDerWaalsContact C-N 3.32Å; E220-A222 PolarHBondContact O-N 2.99Å; E220-A222 PolarHBondContact OE1-N 3.08Å; E220-A222 WeakPolarHBondContact OE2-CB 3.47Å; E220-A222 PolarHBondContact OE2-N 2.83Å; A222-A224 VanDerWaalsContact C-N 3.33Å; A222-A224 PolarHBondContact O-N 2.82Å; A222-K225 PolarHBondContact O-N 2.72Å; A222-Q226 WeakPolarHBondContact O-CB 3.24Å; A222-Q226 WeakPolarHBondContact O-CG 3.36Å; A222-Q226 PolarHBondContact O-N 2.87Å; A222-Y318 HydrophobicContact CB-CE2 4.22Å
223	Y	98.7	Very high	98.6	Very high	13 Å²	13	31.3 Å²	31.3	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-29.3	176.9	-70.4	-92	0	0	0	113.5	T35 P39 N202 D203 E220 Y221 N227	T35-Y223 VanDerWaalsContact O-CE2 3.25Å; T35-Y223 WeakPolarHBondContact O-CE2 3.43Å; T35-Y223 PolarHBondContact O-OH 2.89Å; P39-Y223 HydrophobicContact CG-CD2 4.4Å; P39-Y223 HydrophobicContact CG-CE2 3.74Å; N202-Y223 HydrophobicContact CB-CD1 3.6Å; N202-Y223 HydrophobicContact CB-CD2 3.49Å; N202-Y223 VanDerWaalsContact CB-CD2 3.49Å; N202-Y223 HydrophobicContact CB-CE1 3.64Å; N202-Y223 HydrophobicContact CB-CE2 3.51Å; N202-Y223 HydrophobicContact CB-CG 3.52Å; D203-Y223 VanDerWaalsContact CG-CE1 3.49Å; D203-Y223 WeakPolarHBondContact OD1-CE1 3.47Å; E220-Y223 HydrophobicContact CB-CD2 4.06Å; E220-Y223 HydrophobicContact CB-CE2 4.49Å; E220-Y223 WeakPolarHBondContact O-CB 3.21Å; E220-Y223 PolarHBondContact O-N 3.43Å; Y221-Y223 PolarHBondContact O-N 2.8Å; Y223-N227 WeakPolarHBondContact O-CB 3.13Å; Y223-N227 PolarHBondContact O-ND2 3.37Å
224	A	98.5	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-74.2	-51	171.5	0	0	0	0	0	110.6	V105 A107 V219 Y221 A222 N227 N228 L229 Y231	V105-A224 HydrophobicContact CG2-CB 3.8Å; A107-A224 HydrophobicContact CB-CB 4.37Å; V219-A224 HydrophobicContact CG2-CB 3.96Å; Y221-A224 PolarHBondContact O-N 3.38Å; A222-A224 VanDerWaalsContact C-N 3.33Å; A222-A224 PolarHBondContact O-N 2.82Å; A224-N227 PolarHBondContact O-N 3.4Å; A224-N228 PolarHBondContact O-N 3.08Å; A224-L229 HydrophobicContact CB-CB 4.38Å; A224-L229 PolarHBondContact O-N 2.98Å; A224-Y231 HydrophobicContact CB-CD1 4.33Å
225	K	97.9	Very high	98.6	Very high	86 Å²	86	29.4 Å²	29.4	37%	0.374	15%	0.145	S	C	.	.	H	α-helix	trans	-65.7	-49.2	-174.1	-167.8	-178	-178.3	-177.6	0	112.5	Y221 A222 N227 N228 D317	Y221-K225 HydrophobicContact CE1-CD 4.04Å; Y221-K225 PolarHBondContact O-N 2.89Å; A222-K225 PolarHBondContact O-N 2.72Å; K225-N227 PolarHBondContact O-N 2.88Å; K225-N228 PolarHBondContact O-N 3.02Å; K225-N228 VanDerWaalsContact O-N 3.1Å; K225-D317 WeakPolarHBondContact CD-OD2 3.47Å; K225-D317 WeakPolarHBondContact CE-OD2 3.4Å; K225-D317 IonicContact NZ-OD1 3.18Å; K225-D317 PolarHBondContact NZ-OD1 3.38Å; K225-D317 IonicContact NZ-OD2 2.76Å; K225-D317 PolarHBondContact NZ-OD2 2.99Å
226	Q	97.2	Very high	98.6	Very high	110 Å²	110	29.8 Å²	29.8	51%	0.514	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.3	-177.8	-60.2	-62.8	-34.4	0	0	112.8	A222	A222-Q226 WeakPolarHBondContact O-CB 3.24Å; A222-Q226 WeakPolarHBondContact O-CG 3.36Å; A222-Q226 PolarHBondContact O-N 2.87Å
227	N	98.1	Very high	98.6	Very high	73 Å²	73	31.5 Å²	31.5	39%	0.39	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.5	175.1	-68.1	-75	0	0	0	113.5	Y223 A224 K225 L229	Y223-N227 WeakPolarHBondContact O-CB 3.13Å; Y223-N227 PolarHBondContact O-ND2 3.37Å; A224-N227 PolarHBondContact O-N 3.4Å; K225-N227 PolarHBondContact O-N 2.88Å; N227-L229 HydrophobicContact CB-CD1 4.3Å; N227-L229 HydrophobicContact CB-CG 4.03Å; N227-L229 PolarHBondContact O-N 2.81Å
228	N	97.9	Very high	98.5	Very high	149 Å²	149	35 Å²	35	80%	0.797	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.3	-177.3	-55.4	-70.8	0	0	0	114	A224 K225	A224-N228 PolarHBondContact O-N 3.08Å; K225-N228 PolarHBondContact O-N 3.02Å; K225-N228 VanDerWaalsContact O-N 3.1Å
229	L	98.6	Very high	98.5	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.047	21%	0.207	C	C	.	.			trans	-78.9	137.4	175.3	-61.6	176.8	0	0	0	110	A107 A206 V209 Q210 A224 N227	A107-L229 HydrophobicContact CB-CB 4.14Å; A107-L229 HydrophobicContact CB-CD1 4Å; A206-L229 HydrophobicContact CB-CD1 3.79Å; V209-L229 HydrophobicContact CB-CD1 4.4Å; V209-L229 HydrophobicContact CG1-CD1 4.44Å; V209-L229 HydrophobicContact CG1-CD2 4.3Å; Q210-L229 HydrophobicContact CB-CD2 3.93Å; Q210-L229 HydrophobicContact CG-CD2 4.48Å; A224-L229 HydrophobicContact CB-CB 4.38Å; A224-L229 PolarHBondContact O-N 2.98Å; N227-L229 HydrophobicContact CB-CD1 4.3Å; N227-L229 HydrophobicContact CB-CG 4.03Å; N227-L229 PolarHBondContact O-N 2.81Å
230	A	98.8	Very high	98.5	Very high	23 Å²	23	42.6 Å²	42.6	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.8	168.8	0	0	0	0	0	109.5	A107 V108	A107-A230 CarbonylContact C-O 3.56Å; A107-A230 VanDerWaalsContact CA-O 3.3Å; A107-A230 WeakPolarHBondContact CA-O 3.14Å; V108-A230 HydrophobicContact CG2-CB 4.13Å; V108-A230 PolarHBondContact N-O 2.99Å
231	Y	98.8	Very high	98.5	Very high	44 Å²	44	46.3 Å²	46.3	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.2	175.1	53.2	-101.5	0	0	0	111.3	L106 S115 G116 Y221 A224 L243 P244	L106-Y231 VanDerWaalsContact O-CA 3.23Å; L106-Y231 WeakPolarHBondContact O-CA 3.35Å; S115-Y231 WeakPolarHBondContact OG-CD1 3.28Å; S115-Y231 WeakPolarHBondContact OG-CE1 3.4Å; S115-Y231 PolarHBondContact OG-N 3.43Å; S115-Y231 VanDerWaalsContact OG-N 3.08Å; G116-Y231 WeakPolarHBondContact CA-O 3.35Å; G116-Y231 PolarHBondContact N-O 3.47Å; Y221-Y231 AromaticContact CE2-CD1 3.99Å; Y221-Y231 HydrophobicContact CE2-CD1 3.99Å; Y221-Y231 AromaticContact CE2-CE1 3.66Å; Y221-Y231 HydrophobicContact CE2-CE1 3.66Å; Y221-Y231 HydrophobicContact CE2-CE2 4.31Å; Y221-Y231 HydrophobicContact CE2-CG 4.44Å; Y221-Y231 AromaticContact CE2-CZ 3.83Å; Y221-Y231 PolarHBondContact OH-OH 3.31Å; A224-Y231 HydrophobicContact CB-CD1 4.33Å; Y231-L243 HydrophobicContact CE2-CD2 4.32Å; Y231-P244 HydrophobicContact CD2-CG 3.5Å; Y231-P244 VanDerWaalsContact CD2-CG 3.5Å; Y231-P244 HydrophobicContact CE2-CG 3.59Å; Y231-P244 HydrophobicContact CG-CG 4.27Å
232	T	98.8	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.			trans	-91.3	157.5	179	77.1	0	0	0	0	112	L106 V108 L118 L120	L106-T232 HydrophobicContact CB-CG2 4.16Å; L106-T232 PolarHBondContact O-N 3.3Å; V108-T232 HydrophobicContact CG1-CG2 3.77Å; V108-T232 HydrophobicContact CG2-CG2 4.26Å; L118-T232 HydrophobicContact CB-CG2 4.25Å; L118-T232 HydrophobicContact CD2-CG2 3.97Å; L118-T232 HydrophobicContact CG-CG2 4.49Å; L118-T232 CarbonylContact O-C 3.59Å; L118-T232 WeakPolarHBondContact O-CA 3.46Å; L118-T232 WeakPolarHBondContact O-CB 3.3Å; L120-T232 HydrophobicContact CD1-CG2 4.16Å
233	K	98.8	Very high	98.5	Very high	65 Å²	65	49.3 Å²	49.3	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	160.9	151.8	-70.8	173.8	-177.3	169.3	0	109.5	G116 L118 V119 L120 V242 L243	G116-K233 WeakPolarHBondContact O-CE 3.28Å; L118-K233 PolarHBondContact O-N 3.48Å; V119-K233 HydrophobicContact CB-CB 4.47Å; V119-K233 HydrophobicContact CG2-CB 3.98Å; V119-K233 HydrophobicContact CG2-CD 4Å; L120-K233 PolarHBondContact N-O 3.1Å; K233-V242 WeakPolarHBondContact CA-O 3.3Å; K233-V242 WeakPolarHBondContact CB-O 3.39Å; K233-L243 HydrophobicContact CD-CD2 4.22Å; K233-L243 HydrophobicContact CD-CG 4.33Å; K233-L243 HydrophobicContact CG-CD2 3.51Å; K233-L243 HydrophobicContact CG-CG 3.89Å
234	L	98.9	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.4	168.5	-70.8	179.7	0	0	0	111.3	L106 L120 L125 P241 V242 W275 P276 I277	L106-L234 HydrophobicContact CD2-CD1 3.75Å; L106-L234 HydrophobicContact CD2-CD2 3.94Å; L106-L234 HydrophobicContact CD2-CG 4.16Å; L120-L234 HydrophobicContact CB-CD2 3.91Å; L120-L234 CarbonylContact O-C 3.48Å; L120-L234 VanDerWaalsContact O-CA 3.27Å; L120-L234 WeakPolarHBondContact O-CA 3.32Å; L120-L234 WeakPolarHBondContact O-CD2 3.49Å; L125-L234 HydrophobicContact CD2-CD2 4.45Å; L234-P241 WeakPolarHBondContact O-CA 3.38Å; L234-V242 PolarHBondContact N-O 2.88Å; L234-V242 VanDerWaalsContact N-O 3.14Å; L234-V242 VanDerWaalsContact O-CG1 3.26Å; L234-V242 WeakPolarHBondContact O-CG1 3.43Å; L234-V242 PolarHBondContact O-N 3.5Å; L234-W275 HydrophobicContact CB-CH2 3.85Å; L234-W275 HydrophobicContact CB-CZ2 4.45Å; L234-W275 HydrophobicContact CB-CZ3 3.97Å; L234-W275 HydrophobicContact CD1-CH2 3.69Å; L234-W275 HydrophobicContact CD1-CZ2 3.52Å; L234-W275 HydrophobicContact CD1-CZ3 4.49Å; L234-W275 HydrophobicContact CG-CH2 3.58Å; L234-W275 HydrophobicContact CG-CZ2 3.97Å; L234-W275 HydrophobicContact CG-CZ3 4.22Å; L234-P276 HydrophobicContact CB-CG 3.57Å; L234-P276 HydrophobicContact CD1-CG 3.82Å; L234-P276 HydrophobicContact CG-CG 4.38Å; L234-I277 HydrophobicContact CD1-CD1 3.48Å; L234-I277 VanDerWaalsContact CD1-CD1 3.48Å; L234-I277 HydrophobicContact CD1-CG1 3.7Å
235	I	98.8	Very high	98.5	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.185	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.6	167.5	-58.5	-55.6	0	0	0	109.2	V119 L120 D121 K240 P241	V119-I235 HydrophobicContact CG1-CD1 3.62Å; V119-I235 HydrophobicContact CG1-CG1 4.11Å; L120-I235 PolarHBondContact O-N 2.85Å; D121-I235 HydrophobicContact CB-CB 3.94Å; D121-I235 HydrophobicContact CB-CG1 3.69Å; I235-K240 CarbonylContact C-O 3.6Å; I235-K240 WeakPolarHBondContact CA-O 3.37Å; I235-P241 HydrophobicContact CD1-CB 4.02Å
236	S	98.7	Very high	98.5	Very high	7 Å²	7	49.9 Å²	49.9	5%	0.049	28%	0.277	C	S	.	.			trans	-69.8	170.7	175.6	73.2	0	0	0	0	112	D238 G239 K240 A274	S236-D238 PolarHBondContact O-N 2.83Å; S236-D238 VanDerWaalsContact O-N 3.11Å; S236-D238 PolarHBondContact OG-N 2.62Å; S236-G239 PolarHBondContact O-N 3.24Å; S236-K240 PolarHBondContact N-O 2.9Å; S236-K240 PolarHBondContact OG-N 2.79Å; S236-K240 PolarHBondContact OG-O 3.14Å; S236-A274 WeakPolarHBondContact CB-O 3.29Å
237	A	98.5	Very high	98.5	Very high	36 Å²	36	51 Å²	51	30%	0.298	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.4	176.2	0	0	0	0	0	113.4	G239 N268 Q269 K270	A237-G239 VanDerWaalsContact C-N 3.32Å; A237-N268 WeakPolarHBondContact CB-O 3.38Å; A237-Q269 VanDerWaalsContact CB-O 3.26Å; A237-Q269 WeakPolarHBondContact CB-O 3.37Å; A237-K270 HydrophobicContact CB-CG 4.43Å
238	D	98.3	Very high	98.6	Very high	75 Å²	75	48.2 Å²	48.2	40%	0.401	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.9	177.6	-64	-27.2	0	0	0	112.9	S236 G271	S236-D238 PolarHBondContact O-N 2.83Å; S236-D238 VanDerWaalsContact O-N 3.11Å; S236-D238 PolarHBondContact OG-N 2.62Å; D238-G271 PolarHBondContact OD2-N 3.01Å
239	G	98.2	Very high	98.6	Very high	53 Å²	53	41.1 Å²	41.1	55%	0.546	23%	0.229	S	C	.	.	S	Bend	trans	80.5	16.4	173.1	0	0	0	0	0	115.1	S236 A237	S236-G239 PolarHBondContact O-N 3.24Å; A237-G239 VanDerWaalsContact C-N 3.32Å
240	K	98.4	Very high	98.6	Very high	105 Å²	105	42.4 Å²	42.4	46%	0.457	24%	0.241	S	C	.	.			trans	-106.9	140.4	-178.5	-65.2	177.4	-177.7	169.7	0	111.7	I235 S236 V242	I235-K240 CarbonylContact C-O 3.6Å; I235-K240 WeakPolarHBondContact CA-O 3.37Å; S236-K240 PolarHBondContact N-O 2.9Å; S236-K240 PolarHBondContact OG-N 2.79Å; S236-K240 PolarHBondContact OG-O 3.14Å; K240-V242 PolarHBondContact O-N 3.31Å
241	P	98.3	Very high	98.6	Very high	78 Å²	78	41.9 Å²	41.9	51%	0.506	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.5	173.2	29	-33.2	0	0	0	110.7	V119 L234 I235	V119-P241 HydrophobicContact CG1-CB 4.29Å; V119-P241 HydrophobicContact CG2-CB 4.44Å; L234-P241 WeakPolarHBondContact O-CA 3.38Å; I235-P241 HydrophobicContact CD1-CB 4.02Å
242	V	98.6	Very high	98.6	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.3	-178.7	59.9	0	0	0	0	110.4	K233 L234 K240 N248 D273 W275	K233-V242 WeakPolarHBondContact CA-O 3.3Å; K233-V242 WeakPolarHBondContact CB-O 3.39Å; L234-V242 PolarHBondContact N-O 2.88Å; L234-V242 VanDerWaalsContact N-O 3.14Å; L234-V242 VanDerWaalsContact O-CG1 3.26Å; L234-V242 WeakPolarHBondContact O-CG1 3.43Å; L234-V242 PolarHBondContact O-N 3.5Å; K240-V242 PolarHBondContact O-N 3.31Å; V242-N248 HydrophobicContact CG2-CB 4.09Å; V242-N248 VanDerWaalsContact CG2-ND2 3.29Å; V242-N248 WeakPolarHBondContact CG2-ND2 3.32Å; V242-D273 HydrophobicContact CG2-CB 4.36Å; V242-W275 HydrophobicContact CG1-CE3 3.8Å; V242-W275 HydrophobicContact CG1-CZ3 4.25Å; V242-W275 HydrophobicContact CG2-CE3 4.45Å; V242-W275 WeakPolarHBondContact O-CZ3 3.47Å
243	L	98.6	Very high	98.5	Very high	69 Å²	69	40.3 Å²	40.3	36%	0.361	23%	0.231	S	C	.	.			trans	-91.3	149.1	171.9	-80.7	165.3	0	0	0	110.6	Y231 K233 T245 N248	Y231-L243 HydrophobicContact CE2-CD2 4.32Å; K233-L243 HydrophobicContact CD-CD2 4.22Å; K233-L243 HydrophobicContact CD-CG 4.33Å; K233-L243 HydrophobicContact CG-CD2 3.51Å; K233-L243 HydrophobicContact CG-CG 3.89Å; L243-T245 HydrophobicContact CB-CG2 4.37Å; L243-T245 PolarHBondContact O-N 2.83Å; L243-N248 PolarHBondContact O-ND2 3.46Å
244	P	98.7	Very high	98.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.			trans	-77.2	112.5	171.6	30.5	-31	0	0	0	110.2	V105 Y221 Y231 F249 W275	V105-P244 HydrophobicContact CG1-CB 3.34Å; V105-P244 HydrophobicContact CG1-CG 3.71Å; Y221-P244 HydrophobicContact CD2-CB 4.02Å; Y221-P244 HydrophobicContact CD2-CG 4.12Å; Y221-P244 HydrophobicContact CE2-CB 4.04Å; Y221-P244 HydrophobicContact CE2-CG 3.8Å; Y221-P244 VanDerWaalsContact CZ-O 3.26Å; Y221-P244 PolarHBondContact OH-O 2.84Å; Y231-P244 HydrophobicContact CD2-CG 3.5Å; Y231-P244 VanDerWaalsContact CD2-CG 3.5Å; Y231-P244 HydrophobicContact CE2-CG 3.59Å; Y231-P244 HydrophobicContact CG-CG 4.27Å; P244-F249 HydrophobicContact CB-CE1 3.75Å; P244-F249 HydrophobicContact CB-CZ 3.78Å; P244-W275 HydrophobicContact CB-CD2 4.06Å; P244-W275 HydrophobicContact CB-CE3 3.96Å; P244-W275 HydrophobicContact CB-CH2 3.91Å; P244-W275 HydrophobicContact CB-CZ2 4Å; P244-W275 HydrophobicContact CB-CZ3 3.89Å; P244-W275 HydrophobicContact CG-CH2 4.02Å; P244-W275 HydrophobicContact CG-CZ2 4.48Å; P244-W275 HydrophobicContact CG-CZ3 4.11Å
245	T	98.7	Very high	98.2	Very high	47 Å²	47	48.2 Å²	48.2	29%	0.288	29%	0.285	S	S	.	.			trans	-140.7	158.7	176.1	66	0	0	0	0	109.1	L243 E247 N248 F249	L243-T245 HydrophobicContact CB-CG2 4.37Å; L243-T245 PolarHBondContact O-N 2.83Å; T245-E247 VanDerWaalsContact C-N 3.26Å; T245-E247 PolarHBondContact O-N 3.14Å; T245-N248 PolarHBondContact O-N 3.4Å; T245-N248 WeakPolarHBondContact OG1-CB 3.24Å; T245-N248 PolarHBondContact OG1-N 3.39Å; T245-N248 VanDerWaalsContact OG1-N 3.15Å; T245-N248 PolarHBondContact OG1-ND2 3.09Å; T245-N248 PolarHBondContact OG1-OD1 3.05Å; T245-F249 WeakPolarHBondContact O-CD1 3.45Å; T245-F249 VanDerWaalsContact O-CD2 3.27Å; T245-F249 WeakPolarHBondContact O-CD2 3.21Å; T245-F249 WeakPolarHBondContact O-CG 3.48Å; T245-F249 PolarHBondContact O-N 3.32Å
246	E	98.4	Very high	98.1	Very high	64 Å²	64	47.4 Å²	47.4	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-48	-49.9	173.1	-172.9	-155	148.6	0	0	111.8	N248 F249 A250 N314 A319	E246-N248 VanDerWaalsContact C-N 3.32Å; E246-N248 PolarHBondContact O-N 3.2Å; E246-F249 PolarHBondContact O-N 2.68Å; E246-A250 PolarHBondContact O-N 3.34Å; E246-N314 PolarHBondContact OE1-ND2 3.18Å; E246-N314 WeakPolarHBondContact OE2-CB 3.43Å; E246-A319 HydrophobicContact CG-CB 4.14Å
247	E	98.5	Very high	98	Very high	133 Å²	133	50 Å²	50	62%	0.621	30%	0.298	S	S	*	.	H	α-helix	trans	-59.6	-41.4	179.1	-175.2	176.5	-177.5	0	0	112	T245 F249 A250 N251	T245-E247 VanDerWaalsContact C-N 3.26Å; T245-E247 PolarHBondContact O-N 3.14Å; E247-F249 VanDerWaalsContact C-N 3.33Å; E247-F249 PolarHBondContact O-N 3.36Å; E247-A250 CarbonylContact O-C 3.52Å; E247-A250 WeakPolarHBondContact O-CB 3.25Å; E247-A250 PolarHBondContact O-N 3.3Å; E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 PolarHBondContact O-N 2.9Å; E247-N251 PolarHBondContact O-ND2 2.88Å
248	N	98.7	Very high	98	Very high	16 Å²	16	49.2 Å²	49.2	9%	0.086	29%	0.287	C	S	.	.	H	α-helix	trans	-74	-25.9	-178.2	-66.8	-5.7	0	0	0	112.5	V242 L243 T245 E246 N251 A252 D273 W275	V242-N248 HydrophobicContact CG2-CB 4.09Å; V242-N248 VanDerWaalsContact CG2-ND2 3.29Å; V242-N248 WeakPolarHBondContact CG2-ND2 3.32Å; L243-N248 PolarHBondContact O-ND2 3.46Å; T245-N248 PolarHBondContact O-N 3.4Å; T245-N248 WeakPolarHBondContact OG1-CB 3.24Å; T245-N248 PolarHBondContact OG1-N 3.39Å; T245-N248 VanDerWaalsContact OG1-N 3.15Å; T245-N248 PolarHBondContact OG1-ND2 3.09Å; T245-N248 PolarHBondContact OG1-OD1 3.05Å; E246-N248 VanDerWaalsContact C-N 3.32Å; E246-N248 PolarHBondContact O-N 3.2Å; N248-N251 PolarHBondContact OD1-ND2 3.34Å; N248-A252 PolarHBondContact O-N 3.01Å; N248-D273 VanDerWaalsContact CA-O 3.26Å; N248-D273 WeakPolarHBondContact CA-O 3.42Å; N248-D273 WeakPolarHBondContact CB-O 3.48Å; N248-D273 VanDerWaalsContact CG-O 3.26Å; N248-D273 WeakPolarHBondContact OD1-CB 3.36Å; N248-D273 PolarHBondContact OD1-O 3.23Å; N248-W275 HydrophobicContact CB-CB 4.2Å; N248-W275 PolarHBondContact O-N 2.92Å
249	F	98.8	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.8	-43.2	168.3	-49.5	-29.8	0	0	0	110.6	I101 Y221 P244 T245 E246 E247 N251 A252 W275 T278 D317	I101-F249 HydrophobicContact CG2-CB 4.2Å; Y221-F249 AromaticContact CD1-CE2 3.74Å; Y221-F249 HydrophobicContact CD1-CE2 3.74Å; Y221-F249 AromaticContact CD1-CZ 3.81Å; Y221-F249 HydrophobicContact CD1-CZ 3.81Å; Y221-F249 HydrophobicContact CD2-CZ 4.49Å; Y221-F249 HydrophobicContact CG-CE2 4.07Å; Y221-F249 AromaticContact CG-CZ 3.78Å; Y221-F249 HydrophobicContact CG-CZ 3.78Å; P244-F249 HydrophobicContact CB-CE1 3.75Å; P244-F249 HydrophobicContact CB-CZ 3.78Å; T245-F249 WeakPolarHBondContact O-CD1 3.45Å; T245-F249 VanDerWaalsContact O-CD2 3.27Å; T245-F249 WeakPolarHBondContact O-CD2 3.21Å; T245-F249 WeakPolarHBondContact O-CG 3.48Å; T245-F249 PolarHBondContact O-N 3.32Å; E246-F249 PolarHBondContact O-N 2.68Å; E247-F249 VanDerWaalsContact C-N 3.33Å; E247-F249 PolarHBondContact O-N 3.36Å; F249-N251 VanDerWaalsContact C-N 3.32Å; F249-N251 PolarHBondContact O-N 3.42Å; F249-A252 PolarHBondContact O-N 3.3Å; F249-W275 HydrophobicContact CD1-CB 3.74Å; F249-W275 AromaticContact CD1-CD1 3.69Å; F249-W275 AromaticContact CD1-CG 3.76Å; F249-W275 HydrophobicContact CD1-CG 3.76Å; F249-W275 HydrophobicContact CE1-CB 4.11Å; F249-W275 AromaticContact CE1-CD1 3.63Å; F249-W275 HydrophobicContact CE1-CD2 4.2Å; F249-W275 AromaticContact CE1-CG 3.71Å; F249-W275 HydrophobicContact CE1-CG 3.71Å; F249-T278 HydrophobicContact CB-CG2 4.17Å; F249-T278 WeakPolarHBondContact O-CG2 3.42Å; F249-D317 WeakPolarHBondContact CD2-O 3.06Å; F249-D317 WeakPolarHBondContact CE2-O 3.36Å
250	A	98.4	Very high	97.7	Very high	36 Å²	36	55 Å²	55	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-40.3	173.6	0	0	0	0	0	111.9	E246 E247 A252 A253 K254 A319	E246-A250 PolarHBondContact O-N 3.34Å; E247-A250 CarbonylContact O-C 3.52Å; E247-A250 WeakPolarHBondContact O-CB 3.25Å; E247-A250 PolarHBondContact O-N 3.3Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3.37Å; A250-A253 PolarHBondContact O-N 2.82Å; A250-K254 PolarHBondContact O-N 2.76Å; A250-A319 HydrophobicContact CB-CB 3.81Å
251	N	98.4	Very high	97.7	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.059	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-41.1	177.8	-73.3	-25	0	0	0	112.3	E247 N248 F249 A253 K254 D273	E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 PolarHBondContact O-N 2.9Å; E247-N251 PolarHBondContact O-ND2 2.88Å; N248-N251 PolarHBondContact OD1-ND2 3.34Å; F249-N251 VanDerWaalsContact C-N 3.32Å; F249-N251 PolarHBondContact O-N 3.42Å; N251-A253 PolarHBondContact O-N 3.08Å; N251-K254 WeakPolarHBondContact O-CB 3.16Å; N251-K254 PolarHBondContact O-N 2.79Å; N251-K254 WeakPolarHBondContact OD1-CE 3.37Å; N251-K254 PolarHBondContact OD1-NZ 3.49Å; N251-D273 WeakPolarHBondContact CB-O 3.23Å; N251-D273 PolarHBondContact ND2-O 3.05Å
252	A	98.4	Very high	97.7	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-17.9	176.5	0	0	0	0	0	113.7	N248 F249 A250 Q269 A274 W275 T278	N248-A252 PolarHBondContact O-N 3.01Å; F249-A252 PolarHBondContact O-N 3.3Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 3.37Å; A252-Q269 WeakPolarHBondContact O-CG 3.49Å; A252-A274 HydrophobicContact CB-CB 4.17Å; A252-W275 WeakPolarHBondContact CB-O 3.45Å; A252-T278 HydrophobicContact CB-CG2 3.94Å; A252-T278 WeakPolarHBondContact CB-OG1 3.38Å
253	A	98	Very high	97.7	Very high	9 Å²	9	51.9 Å²	51.9	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-95.7	-6.8	176.7	0	0	0	0	0	114.4	I101 A250 N251 G255 A256 W258 L266	I101-A253 HydrophobicContact CD1-CB 3.65Å; A250-A253 PolarHBondContact O-N 2.82Å; N251-A253 PolarHBondContact O-N 3.08Å; A253-G255 PolarHBondContact O-N 3.14Å; A253-A256 VanDerWaalsContact O-CB 3.3Å; A253-A256 WeakPolarHBondContact O-CB 3.46Å; A253-A256 PolarHBondContact O-N 2.84Å; A253-A256 VanDerWaalsContact O-N 3.08Å; A253-W258 HydrophobicContact CB-CZ2 4.42Å; A253-L266 HydrophobicContact CB-CD1 4.07Å; A253-L266 HydrophobicContact CB-CD2 4.23Å
254	K	96.4	Very high	97.6	Very high	162 Å²	162	50.3 Å²	50.3	70%	0.704	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-32	-176.6	-77.6	177.4	172.3	167.7	0	113.8	A250 N251	A250-K254 PolarHBondContact O-N 2.76Å; N251-K254 WeakPolarHBondContact O-CB 3.16Å; N251-K254 PolarHBondContact O-N 2.79Å; N251-K254 WeakPolarHBondContact OD1-CE 3.37Å; N251-K254 PolarHBondContact OD1-NZ 3.49Å
255	G	94.1	Very high	97.6	Very high	69 Å²	69	54.3 Å²	54.3	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.6	179.5	0	0	0	0	0	115	A253	A253-G255 PolarHBondContact O-N 3.14Å
256	A	97.2	Very high	97.6	Very high	20 Å²	20	52.3 Å²	52.3	17%	0.165	29%	0.293	C	S	.	.			trans	-77.5	126.2	-173.5	0	0	0	0	0	112.1	A253 W258 Q264 L266	A253-A256 VanDerWaalsContact O-CB 3.3Å; A253-A256 WeakPolarHBondContact O-CB 3.46Å; A253-A256 PolarHBondContact O-N 2.84Å; A253-A256 VanDerWaalsContact O-N 3.08Å; A256-W258 HydrophobicContact CB-CD2 4.39Å; A256-W258 HydrophobicContact CB-CZ2 3.97Å; A256-W258 PolarHBondContact O-N 3.27Å; A256-Q264 HydrophobicContact CB-CB 4.18Å; A256-Q264 HydrophobicContact CB-CG 3.94Å; A256-L266 HydrophobicContact CB-CD2 3.94Å
257	D	97.2	Very high	97.7	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.332	28%	0.28	S	S	.	.			trans	-92.3	73.4	177.3	-175	1.5	0	0	0	110.4	S259 K260 Q264	D257-S259 PolarHBondContact O-N 3.24Å; D257-S259 VanDerWaalsContact O-N 3.08Å; D257-S259 PolarHBondContact OD1-OG 3.35Å; D257-K260 PolarHBondContact O-N 2.77Å; D257-K260 VanDerWaalsContact O-N 3.13Å; D257-K260 VanDerWaalsContact OD2-CD 3.25Å; D257-K260 WeakPolarHBondContact OD2-CD 3.34Å; D257-K260 WeakPolarHBondContact OD2-CE 3.34Å; D257-K260 IonicContact OD2-NZ 2.69Å; D257-K260 PolarHBondContact OD2-NZ 2.81Å; D257-Q264 PolarHBondContact O-NE2 2.99Å
258	W	97.3	Very high	97.7	Very high	18 Å²	18	45.3 Å²	45.3	7%	0.068	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	-177.4	-60.1	96.8	0	0	0	113.9	P98 A253 A256 K260 T261 F262 Q264 L266 T280 L321 V325 Q328	P98-W258 HydrophobicContact CB-CZ3 4.45Å; P98-W258 HydrophobicContact CG-CZ3 4.34Å; A253-W258 HydrophobicContact CB-CZ2 4.42Å; A256-W258 HydrophobicContact CB-CD2 4.39Å; A256-W258 HydrophobicContact CB-CZ2 3.97Å; A256-W258 PolarHBondContact O-N 3.27Å; W258-K260 PolarHBondContact O-N 2.69Å; W258-T261 CarbonylContact O-C 3.51Å; W258-T261 PolarHBondContact O-N 3.04Å; W258-F262 WeakPolarHBondContact CZ3-O 3.26Å; W258-Q264 HydrophobicContact CD2-CG 3.65Å; W258-Q264 HydrophobicContact CE3-CB 4.2Å; W258-Q264 HydrophobicContact CE3-CG 3.37Å; W258-Q264 HydrophobicContact CG-CG 4.36Å; W258-Q264 HydrophobicContact CH2-CB 3.8Å; W258-Q264 HydrophobicContact CH2-CG 3.87Å; W258-Q264 HydrophobicContact CZ2-CB 4.23Å; W258-Q264 HydrophobicContact CZ2-CG 4.13Å; W258-Q264 HydrophobicContact CZ3-CB 3.79Å; W258-Q264 HydrophobicContact CZ3-CG 3.49Å; W258-Q264 VanDerWaalsContact CZ3-CG 3.49Å; W258-L266 HydrophobicContact CH2-CD1 4.28Å; W258-L266 HydrophobicContact CZ2-CD1 4.36Å; W258-L266 HydrophobicContact CZ2-CD2 4.35Å; W258-T280 HydrophobicContact CH2-CG2 3.79Å; W258-T280 HydrophobicContact CZ3-CG2 4Å; W258-L321 HydrophobicContact CH2-CD2 4.31Å; W258-L321 HydrophobicContact CZ2-CD2 4.48Å; W258-V325 HydrophobicContact CB-CG1 4.37Å; W258-V325 HydrophobicContact CB-CG2 3.65Å; W258-V325 VanDerWaalsContact CD1-CG2 3.49Å; W258-V325 HydrophobicContact CD2-CG1 4.19Å; W258-V325 HydrophobicContact CD2-CG2 3.87Å; W258-V325 HydrophobicContact CE3-CG1 4.13Å; W258-V325 HydrophobicContact CG-CB 4.49Å; W258-V325 HydrophobicContact CG-CG1 4.3Å; W258-V325 HydrophobicContact CG-CG2 3.37Å; W258-Q328 PolarHBondContact O-OE1 2.95Å
259	S	95.5	Very high	97.7	Very high	84 Å²	84	47.5 Å²	47.5	59%	0.587	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	178.6	78.7	0	0	0	0	113.6	D257	D257-S259 PolarHBondContact O-N 3.24Å; D257-S259 VanDerWaalsContact O-N 3.08Å; D257-S259 PolarHBondContact OD1-OG 3.35Å
260	K	95.8	Very high	97.6	Very high	166 Å²	166	55.5 Å²	55.5	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-39.9	177.6	-72.2	179.4	179.4	140.7	0	113.1	D257 W258	D257-K260 PolarHBondContact O-N 2.77Å; D257-K260 VanDerWaalsContact O-N 3.13Å; D257-K260 VanDerWaalsContact OD2-CD 3.25Å; D257-K260 WeakPolarHBondContact OD2-CD 3.34Å; D257-K260 WeakPolarHBondContact OD2-CE 3.34Å; D257-K260 IonicContact OD2-NZ 2.69Å; D257-K260 PolarHBondContact OD2-NZ 2.81Å; W258-K260 PolarHBondContact O-N 2.69Å
261	T	97.5	Very high	97.6	Very high	53 Å²	53	55.1 Å²	55.1	33%	0.325	31%	0.306	S	S	.	.			trans	-164.5	147	-178.8	-178	0	0	0	0	110.1	W258 A263 Q264	W258-T261 CarbonylContact O-C 3.51Å; W258-T261 PolarHBondContact O-N 3.04Å; T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact OG1-N 2.88Å; T261-A263 VanDerWaalsContact OG1-N 3.08Å; T261-Q264 PolarHBondContact O-NE2 2.79Å
262	F	98.1	Very high	97.5	Very high	31 Å²	31	61.4 Å²	61.4	14%	0.136	34%	0.335	C	S	.	.	S	Bend	trans	-74	-20.1	168.3	-63.3	-42.2	0	0	0	112.9	F95 P98 W258 Q264 F282 V325 Q328 V329 A332	F95-F262 HydrophobicContact CZ-CE2 4.22Å; P98-F262 HydrophobicContact CG-CB 4.11Å; P98-F262 HydrophobicContact CG-CD1 4.04Å; P98-F262 HydrophobicContact CG-CG 4.12Å; W258-F262 WeakPolarHBondContact CZ3-O 3.26Å; F262-Q264 PolarHBondContact O-N 3.22Å; F262-F282 HydrophobicContact CB-CE1 4.19Å; F262-F282 WeakPolarHBondContact O-CE1 3.37Å; F262-F282 WeakPolarHBondContact O-CZ 3.42Å; F262-V325 HydrophobicContact CD1-CG1 4.36Å; F262-V325 HydrophobicContact CE1-CG1 4.28Å; F262-Q328 HydrophobicContact CE1-CB 3.86Å; F262-Q328 HydrophobicContact CZ-CB 3.98Å; F262-V329 HydrophobicContact CE1-CG2 3.95Å; F262-V329 HydrophobicContact CE2-CG2 4.19Å; F262-V329 HydrophobicContact CZ-CB 4.47Å; F262-V329 HydrophobicContact CZ-CG2 3.71Å; F262-A332 HydrophobicContact CE2-CB 4.41Å
263	A	98.2	Very high	97.5	Very high	37 Å²	37	64.4 Å²	64.4	31%	0.306	35%	0.351	S	S	.	.			trans	-77.4	57.1	-178.5	0	0	0	0	0	112.1	P83 T261	P83-A263 HydrophobicContact CB-CB 3.65Å; P83-A263 HydrophobicContact CG-CB 3.93Å; T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact OG1-N 2.88Å; T261-A263 VanDerWaalsContact OG1-N 3.08Å
264	Q	98.5	Very high	97.5	Very high	37 Å²	37	64 Å²	64	17%	0.173	35%	0.348	C	S	.	.			trans	-75.2	134	-179.5	-63.5	-68.1	-40.8	0	0	111.4	A256 D257 W258 T261 F262 L266	A256-Q264 HydrophobicContact CB-CB 4.18Å; A256-Q264 HydrophobicContact CB-CG 3.94Å; D257-Q264 PolarHBondContact O-NE2 2.99Å; W258-Q264 HydrophobicContact CD2-CG 3.65Å; W258-Q264 HydrophobicContact CE3-CB 4.2Å; W258-Q264 HydrophobicContact CE3-CG 3.37Å; W258-Q264 HydrophobicContact CG-CG 4.36Å; W258-Q264 HydrophobicContact CH2-CB 3.8Å; W258-Q264 HydrophobicContact CH2-CG 3.87Å; W258-Q264 HydrophobicContact CZ2-CB 4.23Å; W258-Q264 HydrophobicContact CZ2-CG 4.13Å; W258-Q264 HydrophobicContact CZ3-CB 3.79Å; W258-Q264 HydrophobicContact CZ3-CG 3.49Å; W258-Q264 VanDerWaalsContact CZ3-CG 3.49Å; T261-Q264 PolarHBondContact O-NE2 2.79Å; F262-Q264 PolarHBondContact O-N 3.22Å; Q264-L266 HydrophobicContact CB-CD2 3.89Å; Q264-L266 HydrophobicContact CB-CG 4.47Å
265	D	98.3	Very high	97.6	Very high	84 Å²	84	56.3 Å²	56.3	45%	0.449	31%	0.314	S	S	.	.			trans	-87.7	110	171.4	177	3.7	0	0	0	110	K176 T267 Q269	K176-D265 WeakPolarHBondContact CE-OD2 3.45Å; K176-D265 IonicContact NZ-OD1 2.62Å; K176-D265 PolarHBondContact NZ-OD1 3.46Å; K176-D265 IonicContact NZ-OD2 2.72Å; K176-D265 PolarHBondContact NZ-OD2 3.2Å; D265-T267 PolarHBondContact OD1-N 2.88Å; D265-T267 PolarHBondContact OD1-OG1 2.81Å; D265-Q269 PolarHBondContact O-NE2 2.88Å
266	L	98.7	Very high	97.9	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.28	C	S	.	.			trans	-102	10.9	-177.1	-51.6	-174.8	0	0	0	113	I101 A253 A256 W258 Q264 T278	I101-L266 HydrophobicContact CG1-CD1 4.39Å; I101-L266 HydrophobicContact CG2-CD1 4.21Å; A253-L266 HydrophobicContact CB-CD1 4.07Å; A253-L266 HydrophobicContact CB-CD2 4.23Å; A256-L266 HydrophobicContact CB-CD2 3.94Å; W258-L266 HydrophobicContact CH2-CD1 4.28Å; W258-L266 HydrophobicContact CZ2-CD1 4.36Å; W258-L266 HydrophobicContact CZ2-CD2 4.35Å; Q264-L266 HydrophobicContact CB-CD2 3.89Å; Q264-L266 HydrophobicContact CB-CG 4.47Å; L266-T278 CarbonylContact C-O 3.52Å; L266-T278 HydrophobicContact CB-CG2 4.05Å; L266-T278 WeakPolarHBondContact CB-O 3.42Å; L266-T278 HydrophobicContact CD1-CG2 4.16Å
267	T	98.8	Very high	97.9	Very high	4 Å²	4	52 Å²	52	3%	0.025	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-89.4	139.4	179.7	62	0	0	0	0	111.7	V169 K176 D265 Q269 P276	V169-T267 HydrophobicContact CG1-CG2 3.74Å; K176-T267 WeakPolarHBondContact CE-OG1 3.5Å; K176-T267 PolarHBondContact NZ-O 2.9Å; K176-T267 PolarHBondContact NZ-OG1 3.38Å; D265-T267 PolarHBondContact OD1-N 2.88Å; D265-T267 PolarHBondContact OD1-OG1 2.81Å; T267-Q269 PolarHBondContact O-N 3.45Å; T267-Q269 PolarHBondContact O-NE2 3.45Å; T267-P276 CarbonylContact C-O 3.55Å; T267-P276 WeakPolarHBondContact CA-O 3.44Å
268	N	98.7	Very high	98	Very high	47 Å²	47	49.1 Å²	49.1	25%	0.251	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.6	179.2	-154.9	44.3	0	0	0	113.9	Y173 K176 A237 P276	Y173-N268 HydrophobicContact CD2-CB 4.06Å; Y173-N268 HydrophobicContact CE2-CB 4.2Å; K176-N268 HydrophobicContact CD-CB 3.99Å; A237-N268 WeakPolarHBondContact CB-O 3.38Å; N268-P276 PolarHBondContact N-O 3.01Å
269	Q	98.7	Very high	98.1	Very high	61 Å²	61	48.8 Å²	48.8	29%	0.285	26%	0.257	S	S	.	.			trans	-75.2	146.4	177.5	-65.7	-59.2	-38.8	0	0	111.2	A237 A252 D265 T267	A237-Q269 VanDerWaalsContact CB-O 3.26Å; A237-Q269 WeakPolarHBondContact CB-O 3.37Å; A252-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-NE2 2.88Å; T267-Q269 PolarHBondContact O-N 3.45Å; T267-Q269 PolarHBondContact O-NE2 3.45Å
270	K	98.2	Very high	98.2	Very high	169 Å²	169	44.8 Å²	44.8	74%	0.735	23%	0.229	S	C	*	.			trans	-74.1	155.6	170.8	-63.3	-176.2	177.5	-178.3	0	110.2	A237	A237-K270 HydrophobicContact CB-CG 4.43Å
271	G	96.9	Very high	98.4	Very high	28 Å²	28	36.9 Å²	36.9	29%	0.289	20%	0.195	S	C	.	.	S	Bend	trans	135.7	148.6	179.4	0	0	0	0	0	111.8	D238 D273 A274	D238-G271 PolarHBondContact OD2-N 3.01Å; G271-D273 PolarHBondContact O-N 3.36Å; G271-A274 WeakPolarHBondContact O-CB 3.43Å; G271-A274 PolarHBondContact O-N 3.01Å
272	E	97	Very high	98.5	Very high	142 Å²	142	34.5 Å²	34.5	66%	0.664	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	131.6	171.9	-174.6	165.8	-140.7	0	0	110.4	A274	E272-A274 PolarHBondContact O-N 3.35Å
273	D	98.1	Very high	98.5	Very high	66 Å²	66	33 Å²	33	35%	0.353	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	30.1	-179	-57.8	-38.5	0	0	0	115.1	V242 N248 N251 G271 W275	V242-D273 HydrophobicContact CG2-CB 4.36Å; N248-D273 VanDerWaalsContact CA-O 3.26Å; N248-D273 WeakPolarHBondContact CA-O 3.42Å; N248-D273 WeakPolarHBondContact CB-O 3.48Å; N248-D273 VanDerWaalsContact CG-O 3.26Å; N248-D273 WeakPolarHBondContact OD1-CB 3.36Å; N248-D273 PolarHBondContact OD1-O 3.23Å; N251-D273 WeakPolarHBondContact CB-O 3.23Å; N251-D273 PolarHBondContact ND2-O 3.05Å; G271-D273 PolarHBondContact O-N 3.36Å; D273-W275 PolarHBondContact O-N 3.17Å
274	A	98.7	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.			trans	-74.3	112.6	172.5	0	0	0	0	0	110.6	S236 A252 G271 E272	S236-A274 WeakPolarHBondContact CB-O 3.29Å; A252-A274 HydrophobicContact CB-CB 4.17Å; G271-A274 WeakPolarHBondContact O-CB 3.43Å; G271-A274 PolarHBondContact O-N 3.01Å; E272-A274 PolarHBondContact O-N 3.35Å
275	W	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.			trans	-64.5	125.6	174.4	179.7	-105.8	0	0	0	110.7	V104 V105 L234 V242 P244 N248 F249 A252 D273 I277 T278	V104-W275 WeakPolarHBondContact O-CZ2 3.25Å; V104-W275 PolarHBondContact O-NE1 3.25Å; V105-W275 HydrophobicContact CB-CZ2 4.32Å; V105-W275 HydrophobicContact CG1-CZ2 3.85Å; L234-W275 HydrophobicContact CB-CH2 3.85Å; L234-W275 HydrophobicContact CB-CZ2 4.45Å; L234-W275 HydrophobicContact CB-CZ3 3.97Å; L234-W275 HydrophobicContact CD1-CH2 3.69Å; L234-W275 HydrophobicContact CD1-CZ2 3.52Å; L234-W275 HydrophobicContact CD1-CZ3 4.49Å; L234-W275 HydrophobicContact CG-CH2 3.58Å; L234-W275 HydrophobicContact CG-CZ2 3.97Å; L234-W275 HydrophobicContact CG-CZ3 4.22Å; V242-W275 HydrophobicContact CG1-CE3 3.8Å; V242-W275 HydrophobicContact CG1-CZ3 4.25Å; V242-W275 HydrophobicContact CG2-CE3 4.45Å; V242-W275 WeakPolarHBondContact O-CZ3 3.47Å; P244-W275 HydrophobicContact CB-CD2 4.06Å; P244-W275 HydrophobicContact CB-CE3 3.96Å; P244-W275 HydrophobicContact CB-CH2 3.91Å; P244-W275 HydrophobicContact CB-CZ2 4Å; P244-W275 HydrophobicContact CB-CZ3 3.89Å; P244-W275 HydrophobicContact CG-CH2 4.02Å; P244-W275 HydrophobicContact CG-CZ2 4.48Å; P244-W275 HydrophobicContact CG-CZ3 4.11Å; N248-W275 HydrophobicContact CB-CB 4.2Å; N248-W275 PolarHBondContact O-N 2.92Å; F249-W275 HydrophobicContact CD1-CB 3.74Å; F249-W275 AromaticContact CD1-CD1 3.69Å; F249-W275 AromaticContact CD1-CG 3.76Å; F249-W275 HydrophobicContact CD1-CG 3.76Å; F249-W275 HydrophobicContact CE1-CB 4.11Å; F249-W275 AromaticContact CE1-CD1 3.63Å; F249-W275 HydrophobicContact CE1-CD2 4.2Å; F249-W275 AromaticContact CE1-CG 3.71Å; F249-W275 HydrophobicContact CE1-CG 3.71Å; A252-W275 WeakPolarHBondContact CB-O 3.45Å; D273-W275 PolarHBondContact O-N 3.17Å; W275-I277 VanDerWaalsContact C-N 3.32Å; W275-I277 PolarHBondContact O-N 2.9Å; W275-T278 PolarHBondContact O-OG1 3.43Å
276	P	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.5	-166.5	27.5	-36	0	0	0	114.8	Y173 L234 T267 N268	Y173-P276 HydrophobicContact CD2-CB 4.45Å; Y173-P276 WeakPolarHBondContact CD2-O 3.33Å; Y173-P276 HydrophobicContact CE2-CB 3.76Å; L234-P276 HydrophobicContact CB-CG 3.57Å; L234-P276 HydrophobicContact CD1-CG 3.82Å; L234-P276 HydrophobicContact CG-CG 4.38Å; T267-P276 CarbonylContact C-O 3.55Å; T267-P276 WeakPolarHBondContact CA-O 3.44Å; N268-P276 PolarHBondContact N-O 3.01Å
277	I	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-120.4	58.3	179.1	-35.4	-178.1	0	0	0	110.1	V104 L106 L125 V169 F170 Y173 L234 W275	V104-I277 HydrophobicContact CB-CB 4.13Å; V104-I277 HydrophobicContact CB-CG2 3.63Å; V104-I277 HydrophobicContact CG1-CG2 4.26Å; V104-I277 HydrophobicContact CG2-CG2 4.15Å; V104-I277 PolarHBondContact N-O 2.85Å; L106-I277 HydrophobicContact CD2-CD1 4.16Å; L125-I277 HydrophobicContact CD2-CD1 4.33Å; V169-I277 HydrophobicContact CG1-CG2 3.96Å; F170-I277 HydrophobicContact CD2-CD1 4.13Å; F170-I277 HydrophobicContact CE2-CD1 4.22Å; Y173-I277 HydrophobicContact CD1-CD1 3.5Å; Y173-I277 HydrophobicContact CD1-CG1 3.68Å; Y173-I277 HydrophobicContact CD2-CG1 4.06Å; Y173-I277 HydrophobicContact CE1-CD1 3.67Å; Y173-I277 HydrophobicContact CE1-CG1 3.9Å; Y173-I277 HydrophobicContact CE2-CG1 4.29Å; Y173-I277 HydrophobicContact CG-CD1 4.09Å; Y173-I277 HydrophobicContact CG-CG1 3.75Å; Y173-I277 HydrophobicContact CG-CG2 4.41Å; L234-I277 HydrophobicContact CD1-CD1 3.48Å; L234-I277 VanDerWaalsContact CD1-CD1 3.48Å; L234-I277 HydrophobicContact CD1-CG1 3.7Å; W275-I277 VanDerWaalsContact C-N 3.32Å; W275-I277 PolarHBondContact O-N 2.9Å
278	T	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	150.4	178.6	-60.1	0	0	0	0	110.9	I101 F249 A252 L266 W275	I101-T278 HydrophobicContact CG2-CG2 3.46Å; I101-T278 VanDerWaalsContact CG2-CG2 3.46Å; F249-T278 HydrophobicContact CB-CG2 4.17Å; F249-T278 WeakPolarHBondContact O-CG2 3.42Å; A252-T278 HydrophobicContact CB-CG2 3.94Å; A252-T278 WeakPolarHBondContact CB-OG1 3.38Å; L266-T278 CarbonylContact C-O 3.52Å; L266-T278 HydrophobicContact CB-CG2 4.05Å; L266-T278 WeakPolarHBondContact CB-O 3.42Å; L266-T278 HydrophobicContact CD1-CG2 4.16Å; W275-T278 PolarHBondContact O-OG1 3.43Å
279	S	98.9	Very high	98.6	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.2	173.9	-173.8	0	0	0	0	111.7	G102 V169	G102-S279 PolarHBondContact N-O 3.22Å; G102-S279 PolarHBondContact O-N 2.89Å; V169-S279 VanDerWaalsContact CG2-OG 3.24Å; V169-S279 WeakPolarHBondContact CG2-OG 3.25Å
280	T	98.8	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	156.6	160.7	-169.5	0	0	0	0	109.3	P98 V100 W258 F282	P98-T280 HydrophobicContact CB-CG2 4.2Å; P98-T280 WeakPolarHBondContact CB-OG1 3.43Å; V100-T280 WeakPolarHBondContact O-CA 3.27Å; V100-T280 PolarHBondContact O-OG1 2.76Å; V100-T280 VanDerWaalsContact O-OG1 3.14Å; W258-T280 HydrophobicContact CH2-CG2 3.79Å; W258-T280 HydrophobicContact CZ3-CG2 4Å; T280-F282 HydrophobicContact CG2-CE1 3.91Å; T280-F282 HydrophobicContact CG2-CE2 3.92Å; T280-F282 HydrophobicContact CG2-CZ 3.41Å; T280-F282 VanDerWaalsContact CG2-CZ 3.41Å
281	T	98.9	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.2	175.3	-172.7	0	0	0	0	111.3	F36 P37 D81 P98 T99 V100	F36-T281 HydrophobicContact CD1-CG2 4.42Å; P37-T281 HydrophobicContact CB-CG2 3.63Å; P37-T281 HydrophobicContact CG-CG2 3.77Å; D81-T281 WeakPolarHBondContact OD1-CB 3.48Å; D81-T281 PolarHBondContact OD1-OG1 2.95Å; P98-T281 CarbonylContact C-O 3.51Å; P98-T281 VanDerWaalsContact CA-O 3.24Å; P98-T281 WeakPolarHBondContact CA-O 3.5Å; T99-T281 PolarHBondContact N-O 3Å; T99-T281 WeakPolarHBondContact OG1-CG2 3.48Å; T99-T281 PolarHBondContact OG1-O 2.98Å; V100-T281 HydrophobicContact CG2-CG2 3.77Å; V100-T281 PolarHBondContact O-N 3.02Å
282	F	98.9	Very high	98.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.5	-168.3	-53.7	-86.3	0	0	0	113.1	A79 S80 P83 Q96 F97 P98 F262 T280	A79-F282 CarbonylContact C-O 3.36Å; A79-F282 VanDerWaalsContact CA-O 3.3Å; A79-F282 WeakPolarHBondContact CA-O 3.04Å; S80-F282 PolarHBondContact N-O 3.44Å; S80-F282 WeakPolarHBondContact O-CA 3.27Å; S80-F282 VanDerWaalsContact O-CB 3.28Å; S80-F282 WeakPolarHBondContact O-CB 3.49Å; S80-F282 WeakPolarHBondContact O-CD2 3.44Å; S80-F282 PolarHBondContact O-N 3.15Å; P83-F282 HydrophobicContact CB-CD2 4.16Å; P83-F282 HydrophobicContact CB-CE2 3.69Å; P83-F282 HydrophobicContact CB-CZ 3.98Å; P83-F282 HydrophobicContact CG-CE2 4.08Å; P83-F282 HydrophobicContact CG-CZ 4.45Å; Q96-F282 HydrophobicContact CG-CB 3.59Å; Q96-F282 HydrophobicContact CG-CD1 3.7Å; Q96-F282 HydrophobicContact CG-CG 3.8Å; F97-F282 CarbonylContact O-C 3.51Å; F97-F282 VanDerWaalsContact O-CA 3.26Å; F97-F282 WeakPolarHBondContact O-CA 3.49Å; P98-F282 HydrophobicContact CB-CD1 3.94Å; P98-F282 HydrophobicContact CB-CE1 3.87Å; F262-F282 HydrophobicContact CB-CE1 4.19Å; F262-F282 WeakPolarHBondContact O-CE1 3.37Å; F262-F282 WeakPolarHBondContact O-CZ 3.42Å; T280-F282 HydrophobicContact CG2-CE1 3.91Å; T280-F282 HydrophobicContact CG2-CE2 3.92Å; T280-F282 HydrophobicContact CG2-CZ 3.41Å; T280-F282 VanDerWaalsContact CG2-CZ 3.41Å
283	I	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.4	165.6	-59.9	-62.9	0	0	0	109.2	Y41 F77 G78 A79 Q96 F97 T99 V285 F302	Y41-I283 HydrophobicContact CE2-CD1 3.69Å; Y41-I283 WeakPolarHBondContact OH-CD1 3.4Å; F77-I283 HydrophobicContact CB-CG2 3.96Å; F77-I283 HydrophobicContact CD2-CD1 3.99Å; F77-I283 HydrophobicContact CD2-CG2 4.08Å; F77-I283 HydrophobicContact CE2-CD1 4.17Å; F77-I283 HydrophobicContact CG-CG2 4.34Å; G78-I283 CarbonylContact O-C 3.59Å; G78-I283 WeakPolarHBondContact O-CA 3.32Å; A79-I283 HydrophobicContact CB-CD1 4.03Å; Q96-I283 VanDerWaalsContact CA-O 3.32Å; Q96-I283 WeakPolarHBondContact CA-O 3.43Å; F97-I283 HydrophobicContact CD1-CB 4.35Å; F97-I283 HydrophobicContact CD2-CB 4.14Å; F97-I283 HydrophobicContact CE1-CB 3.83Å; F97-I283 HydrophobicContact CE1-CG2 3.69Å; F97-I283 HydrophobicContact CE2-CB 3.58Å; F97-I283 HydrophobicContact CE2-CG1 3.86Å; F97-I283 HydrophobicContact CE2-CG2 4.06Å; F97-I283 HydrophobicContact CZ-CB 3.44Å; F97-I283 VanDerWaalsContact CZ-CB 3.44Å; F97-I283 HydrophobicContact CZ-CG1 4.07Å; F97-I283 HydrophobicContact CZ-CG2 3.39Å; F97-I283 PolarHBondContact N-O 2.96Å; F97-I283 VanDerWaalsContact N-O 3.09Å; F97-I283 PolarHBondContact O-N 3.06Å; T99-I283 HydrophobicContact CG2-CD1 4.45Å; T99-I283 HydrophobicContact CG2-CG1 3.55Å; I283-V285 HydrophobicContact CG2-CG1 4.2Å; I283-F302 HydrophobicContact CB-CE2 4.46Å; I283-F302 HydrophobicContact CB-CZ 4.41Å; I283-F302 HydrophobicContact CD1-CE1 3.76Å; I283-F302 HydrophobicContact CD1-CE2 4.14Å; I283-F302 HydrophobicContact CD1-CZ 3.35Å; I283-F302 HydrophobicContact CG1-CD1 4.26Å; I283-F302 HydrophobicContact CG1-CE1 3.62Å; I283-F302 HydrophobicContact CG1-CE2 3.93Å; I283-F302 HydrophobicContact CG1-CZ 3.44Å; I283-F302 VanDerWaalsContact CG1-CZ 3.44Å; I283-F302 HydrophobicContact CG2-CD2 4.45Å; I283-F302 HydrophobicContact CG2-CE2 3.84Å; I283-F302 HydrophobicContact CG2-CZ 4.15Å
284	L	99	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.9	177.7	-63.8	169.1	0	0	0	109.4	V67 I70 F77 G78 L84 L89 F95 Q96	V67-L284 HydrophobicContact CG2-CD1 3.74Å; I70-L284 HydrophobicContact CG1-CB 4.46Å; I70-L284 HydrophobicContact CG2-CB 4.12Å; I70-L284 HydrophobicContact CG2-CD1 4.21Å; F77-L284 CarbonylContact C-O 3.55Å; F77-L284 WeakPolarHBondContact CA-O 3.28Å; G78-L284 PolarHBondContact N-O 2.98Å; G78-L284 PolarHBondContact O-N 3.36Å; L84-L284 HydrophobicContact CD1-CD1 3.94Å; L84-L284 HydrophobicContact CD1-CD2 4.35Å; L84-L284 HydrophobicContact CD2-CD1 4.3Å; L84-L284 HydrophobicContact CD2-CD2 4.35Å; L89-L284 HydrophobicContact CD2-CD2 3.82Å; F95-L284 WeakPolarHBondContact O-CA 3.41Å; Q96-L284 HydrophobicContact CB-CD2 3.74Å; Q96-L284 HydrophobicContact CG-CD2 3.8Å
285	V	98.9	Very high	98.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.8	175.4	-66.5	0	0	0	0	109.9	F77 L94 F95 F97 I283 V298 I337	F77-V285 HydrophobicContact CB-CG1 3.95Å; L94-V285 CarbonylContact C-O 3.43Å; L94-V285 WeakPolarHBondContact CA-O 3.41Å; F95-V285 HydrophobicContact CB-CG2 4.18Å; F95-V285 HydrophobicContact CD1-CG2 4.27Å; F95-V285 PolarHBondContact N-O 3.23Å; F95-V285 PolarHBondContact O-N 3.46Å; F97-V285 HydrophobicContact CE1-CG1 4.35Å; F97-V285 HydrophobicContact CE1-CG2 4.24Å; I283-V285 HydrophobicContact CG2-CG1 4.2Å; V285-V298 HydrophobicContact CG1-CG1 3.91Å; V285-I337 HydrophobicContact CG2-CD1 3.62Å; V285-I337 HydrophobicContact CG2-CG1 4.47Å
286	H	98.8	Very high	98.4	Very high	31 Å²	31	33 Å²	33	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.7	170.6	-75.9	-76.4	0	0	0	110.9	I70 N73 Q289	I70-H286 PolarHBondContact O-NE2 3.14Å; N73-H286 PolarHBondContact OD1-CD2 2.7Å; N73-H286 PolarHBondContact OD1-NE2 3.37Å; N73-H286 VanDerWaalsContact OD1-NE2 3.11Å; H286-Q289 PolarHBondContact O-NE2 2.81Å
287	K	98.8	Very high	98.4	Very high	73 Å²	73	34.5 Å²	34.5	32%	0.317	17%	0.166	S	C	.	.	S	Bend	trans	-68.9	-40	173.1	-74.2	-174.9	173.2	-170.1	0	111.7	G93 L94 F95 N336 K338	G93-K287 WeakPolarHBondContact O-CB 3.48Å; G93-K287 PolarHBondContact O-N 2.81Å; L94-K287 VanDerWaalsContact O-CE 3.26Å; L94-K287 WeakPolarHBondContact O-CE 3.12Å; F95-K287 HydrophobicContact CB-CG 3.88Å; K287-N336 WeakPolarHBondContact CA-O 3.33Å; K287-N336 WeakPolarHBondContact CB-O 3.4Å; K287-N336 VanDerWaalsContact CE-OD1 3.29Å; K287-N336 WeakPolarHBondContact CE-OD1 3.39Å; K287-N336 PolarHBondContact NZ-OD1 2.86Å; K287-K338 PolarHBondContact O-N 3.37Å
288	D	98.5	Very high	98.4	Very high	68 Å²	68	34.6 Å²	34.6	36%	0.364	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	100.4	174.4	178	-10.3	0	0	0	109.3	K290	D288-K290 PolarHBondContact O-N 3.4Å; D288-K290 IonicContact OD1-NZ 3.04Å; D288-K290 PolarHBondContact OD1-NZ 2.83Å; D288-K290 IonicContact OD2-NZ 2.64Å; D288-K290 PolarHBondContact OD2-NZ 3.32Å
289	Q	98.5	Very high	98.4	Very high	15 Å²	15	34.7 Å²	34.7	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.7	-175.9	-70.9	-72.8	-37.3	0	0	110.4	H286 K291 G295 I337 K338 L345	H286-Q289 PolarHBondContact O-NE2 2.81Å; Q289-K291 PolarHBondContact O-N 3.36Å; Q289-G295 VanDerWaalsContact OE1-CA 3.31Å; Q289-I337 HydrophobicContact CG-CG2 3.78Å; Q289-K338 PolarHBondContact N-O 3.32Å; Q289-L345 HydrophobicContact CB-CD1 3.51Å; Q289-L345 HydrophobicContact CG-CD1 3.68Å
290	K	97.7	Very high	98.3	Very high	140 Å²	140	38.7 Å²	38.7	61%	0.609	18%	0.183	S	C	*	.	S	Bend	trans	-66.5	-20.8	176.2	-55.8	-52.3	-179.8	-168.4	0	113.8	D288	D288-K290 PolarHBondContact O-N 3.4Å; D288-K290 IonicContact OD1-NZ 3.04Å; D288-K290 PolarHBondContact OD1-NZ 2.83Å; D288-K290 IonicContact OD2-NZ 2.64Å; D288-K290 PolarHBondContact OD2-NZ 3.32Å
291	K	97.4	Very high	98.3	Very high	126 Å²	126	38.8 Å²	38.8	55%	0.548	18%	0.183	S	C	.	.	S	Bend	trans	-121.3	75.9	171.6	-66.2	-177.7	-175.8	175.6	0	108.1	Q289 E293 Q294 G295	Q289-K291 PolarHBondContact O-N 3.36Å; K291-E293 WeakPolarHBondContact CB-OE1 3.24Å; K291-E293 PolarHBondContact O-N 3.11Å; K291-Q294 HydrophobicContact CB-CB 4.04Å; K291-Q294 HydrophobicContact CB-CG 3.86Å; K291-Q294 HydrophobicContact CD-CG 4.13Å; K291-Q294 WeakPolarHBondContact O-CB 3.34Å; K291-Q294 PolarHBondContact O-N 3.25Å; K291-G295 PolarHBondContact O-N 2.64Å; K291-G295 VanDerWaalsContact O-N 3.12Å
292	P	97.3	Very high	98.3	Very high	41 Å²	41	38.9 Å²	38.9	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-58.5	-31.1	-171.5	23.9	-34.3	0	0	0	112.9	Q294 G295 V296 D339 L345	P292-Q294 PolarHBondContact O-N 3.41Å; P292-G295 PolarHBondContact O-N 2.94Å; P292-V296 VanDerWaalsContact O-CG2 3.27Å; P292-V296 WeakPolarHBondContact O-CG2 3.46Å; P292-V296 PolarHBondContact O-N 2.79Å; P292-D339 HydrophobicContact CB-CB 3.92Å; P292-D339 HydrophobicContact CG-CB 4.35Å; P292-L345 HydrophobicContact CB-CD1 3.88Å; P292-L345 HydrophobicContact CB-CD2 3.82Å
293	E	96.8	Very high	98.3	Very high	110 Å²	110	39.4 Å²	39.4	51%	0.514	19%	0.187	S	C	.	.	H	α-helix	trans	-59.5	-42.4	173	68.7	-70.3	170.3	0	0	112.7	K291 E297	K291-E293 WeakPolarHBondContact CB-OE1 3.24Å; K291-E293 PolarHBondContact O-N 3.11Å; E293-E297 WeakPolarHBondContact O-CG 3.4Å; E293-E297 PolarHBondContact O-N 2.85Å
294	Q	97.5	Very high	98.3	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-43.7	175.9	-63.1	-70.2	93.6	0	0	110.5	S28 L29 D76 K291 P292 V296 E297 V298	S28-Q294 PolarHBondContact O-NE2 3.02Å; L29-Q294 HydrophobicContact CD2-CB 4.31Å; D76-Q294 WeakPolarHBondContact OD1-CB 3.25Å; D76-Q294 WeakPolarHBondContact OD1-CG 3.34Å; D76-Q294 PolarHBondContact OD1-NE2 2.75Å; D76-Q294 PolarHBondContact OD2-NE2 2.78Å; K291-Q294 HydrophobicContact CB-CB 4.04Å; K291-Q294 HydrophobicContact CB-CG 3.86Å; K291-Q294 HydrophobicContact CD-CG 4.13Å; K291-Q294 WeakPolarHBondContact O-CB 3.34Å; K291-Q294 PolarHBondContact O-N 3.25Å; P292-Q294 PolarHBondContact O-N 3.41Å; Q294-V296 PolarHBondContact O-N 3.24Å; Q294-E297 PolarHBondContact O-N 3.43Å; Q294-V298 WeakPolarHBondContact O-CG2 3.3Å; Q294-V298 PolarHBondContact O-N 2.97Å
295	G	97.9	Very high	98.3	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-45.5	176.8	0	0	0	0	0	112.7	Q289 K291 P292 E297 V298 L299	Q289-G295 VanDerWaalsContact OE1-CA 3.31Å; K291-G295 PolarHBondContact O-N 2.64Å; K291-G295 VanDerWaalsContact O-N 3.12Å; P292-G295 PolarHBondContact O-N 2.94Å; G295-E297 PolarHBondContact O-N 2.96Å; G295-V298 PolarHBondContact O-N 3.31Å; G295-L299 WeakPolarHBondContact O-CG 3.43Å; G295-L299 PolarHBondContact O-N 3.49Å; G295-L299 VanDerWaalsContact O-N 3.09Å
296	V	98.4	Very high	98.3	Very high	37 Å²	37	42.3 Å²	42.3	22%	0.224	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-47.3	176.1	168.5	0	0	0	0	111.1	P292 Q294 L299 K300 L345	P292-V296 VanDerWaalsContact O-CG2 3.27Å; P292-V296 WeakPolarHBondContact O-CG2 3.46Å; P292-V296 PolarHBondContact O-N 2.79Å; Q294-V296 PolarHBondContact O-N 3.24Å; V296-L299 PolarHBondContact O-N 3.31Å; V296-K300 HydrophobicContact CG1-CD 4.14Å; V296-K300 HydrophobicContact CG1-CG 4.46Å; V296-K300 WeakPolarHBondContact O-CG 3.45Å; V296-K300 PolarHBondContact O-N 2.92Å; V296-L345 HydrophobicContact CG2-CB 3.91Å; V296-L345 HydrophobicContact CG2-CD2 4Å; V296-L345 HydrophobicContact CG2-CG 4.38Å
297	E	98.4	Very high	98.3	Very high	32 Å²	32	47.1 Å²	47.1	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-70.2	-31.9	-177.8	-65.3	-60.3	136	0	0	112.4	A27 L29 N54 E293 Q294 G295 K300 F301	A27-E297 HydrophobicContact CB-CB 3.96Å; A27-E297 HydrophobicContact CB-CG 3.72Å; L29-E297 HydrophobicContact CD1-CB 3.98Å; L29-E297 HydrophobicContact CD2-CB 4.09Å; L29-E297 HydrophobicContact CG-CB 4.4Å; N54-E297 PolarHBondContact ND2-OE2 3.39Å; N54-E297 VanDerWaalsContact ND2-OE2 3.09Å; E293-E297 WeakPolarHBondContact O-CG 3.4Å; E293-E297 PolarHBondContact O-N 2.85Å; Q294-E297 PolarHBondContact O-N 3.43Å; G295-E297 PolarHBondContact O-N 2.96Å; E297-K300 PolarHBondContact O-N 2.82Å; E297-K300 WeakPolarHBondContact OE1-CD 3.26Å; E297-K300 IonicContact OE1-NZ 3.2Å; E297-K300 PolarHBondContact OE1-NZ 3.33Å; E297-F301 WeakPolarHBondContact O-CB 3.37Å; E297-F301 PolarHBondContact O-N 3.28Å
298	V	98.8	Very high	98.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-49.2	170	169.6	0	0	0	0	110.7	L29 D76 F77 V285 Q294 G295 K300 F301 F302	L29-V298 HydrophobicContact CD1-CG2 3.92Å; L29-V298 HydrophobicContact CD2-CG2 4.03Å; L29-V298 HydrophobicContact CG-CG2 4.46Å; D76-V298 HydrophobicContact CB-CG2 3.89Å; F77-V298 HydrophobicContact CB-CG1 4.14Å; F77-V298 HydrophobicContact CD1-CG1 4.15Å; F77-V298 HydrophobicContact CD1-CG2 3.9Å; F77-V298 HydrophobicContact CG-CG1 4.37Å; V285-V298 HydrophobicContact CG1-CG1 3.91Å; Q294-V298 WeakPolarHBondContact O-CG2 3.3Å; Q294-V298 PolarHBondContact O-N 2.97Å; G295-V298 PolarHBondContact O-N 3.31Å; V298-K300 PolarHBondContact O-N 3.35Å; V298-F301 PolarHBondContact O-N 2.73Å; V298-F302 HydrophobicContact CG1-CD2 4.04Å; V298-F302 HydrophobicContact CG1-CE2 4.02Å; V298-F302 VanDerWaalsContact O-CD2 3.3Å; V298-F302 WeakPolarHBondContact O-CD2 3.41Å; V298-F302 PolarHBondContact O-N 3.03Å
299	L	98.8	Very high	98.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-39.3	179.7	-61	-173	0	0	0	111.7	G295 V296 F301 F302 D303 W333 I337 Y346	G295-L299 WeakPolarHBondContact O-CG 3.43Å; G295-L299 PolarHBondContact O-N 3.49Å; G295-L299 VanDerWaalsContact O-N 3.09Å; V296-L299 PolarHBondContact O-N 3.31Å; L299-F301 PolarHBondContact O-N 2.65Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-D303 VanDerWaalsContact O-CB 3.27Å; L299-D303 WeakPolarHBondContact O-CB 3.34Å; L299-D303 PolarHBondContact O-N 2.95Å; L299-W333 HydrophobicContact CB-CE3 4.43Å; L299-W333 HydrophobicContact CD1-CB 4.24Å; L299-W333 HydrophobicContact CD1-CD2 4.42Å; L299-W333 HydrophobicContact CD1-CG 4.26Å; L299-W333 HydrophobicContact CD2-CD2 3.86Å; L299-W333 HydrophobicContact CD2-CE3 4.39Å; L299-W333 HydrophobicContact CD2-CG 4.09Å; L299-W333 HydrophobicContact CD2-CZ2 4.12Å; L299-I337 HydrophobicContact CD1-CB 4.16Å; L299-I337 HydrophobicContact CD1-CG1 4.27Å; L299-I337 HydrophobicContact CD1-CG2 4.06Å; L299-Y346 HydrophobicContact CB-CD2 4.3Å; L299-Y346 HydrophobicContact CD1-CG 4.45Å
300	K	98.6	Very high	98.3	Very high	97 Å²	97	45 Å²	45	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-41.3	173.9	-76.1	177.1	-178.3	171.5	0	112.6	V296 E297 V298 D303 W304	V296-K300 HydrophobicContact CG1-CD 4.14Å; V296-K300 HydrophobicContact CG1-CG 4.46Å; V296-K300 WeakPolarHBondContact O-CG 3.45Å; V296-K300 PolarHBondContact O-N 2.92Å; E297-K300 PolarHBondContact O-N 2.82Å; E297-K300 WeakPolarHBondContact OE1-CD 3.26Å; E297-K300 IonicContact OE1-NZ 3.2Å; E297-K300 PolarHBondContact OE1-NZ 3.33Å; V298-K300 PolarHBondContact O-N 3.35Å; K300-D303 PolarHBondContact O-N 2.8Å; K300-W304 WeakPolarHBondContact O-CB 3.34Å; K300-W304 PolarHBondContact O-N 3.46Å
301	F	98.8	Very high	98.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-49.6	177.2	169	-118.1	0	0	0	111.7	W44 Y48 V56 E297 V298 L299 W304 A305	W44-F301 HydrophobicContact CB-CE2 4Å; W44-F301 HydrophobicContact CB-CZ 3.92Å; Y48-F301 HydrophobicContact CD1-CB 4.42Å; Y48-F301 AromaticContact CD1-CD2 3.58Å; Y48-F301 HydrophobicContact CD1-CD2 3.58Å; Y48-F301 HydrophobicContact CD1-CE2 4.34Å; Y48-F301 HydrophobicContact CD1-CG 4.41Å; Y48-F301 HydrophobicContact CD2-CD2 4.36Å; Y48-F301 HydrophobicContact CE1-CB 4.01Å; Y48-F301 HydrophobicContact CE1-CD2 4.05Å; Y48-F301 HydrophobicContact CE1-CG 4.49Å; Y48-F301 AromaticContact CG-CD2 3.75Å; Y48-F301 HydrophobicContact CG-CD2 3.75Å; Y48-F301 HydrophobicContact CG-CE2 4.3Å; V56-F301 HydrophobicContact CG1-CD1 4.28Å; V56-F301 HydrophobicContact CG1-CE1 3.98Å; V56-F301 HydrophobicContact CG1-CZ 4.23Å; V56-F301 HydrophobicContact CG2-CB 4.46Å; V56-F301 HydrophobicContact CG2-CD1 4.19Å; V56-F301 HydrophobicContact CG2-CD2 3.87Å; V56-F301 HydrophobicContact CG2-CE1 4.42Å; V56-F301 HydrophobicContact CG2-CE2 4.12Å; V56-F301 HydrophobicContact CG2-CG 3.9Å; V56-F301 HydrophobicContact CG2-CZ 4.38Å; E297-F301 WeakPolarHBondContact O-CB 3.37Å; E297-F301 PolarHBondContact O-N 3.28Å; V298-F301 PolarHBondContact O-N 2.73Å; L299-F301 PolarHBondContact O-N 2.65Å; F301-W304 PolarHBondContact O-N 2.89Å; F301-A305 PolarHBondContact O-N 3.06Å
302	F	98.9	Very high	98.4	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-71.3	-32.9	178.9	-71.9	-69.4	0	0	0	112.8	Y41 F77 F97 T99 I283 V298 L299 A305 Y306 W333	Y41-F302 HydrophobicContact CE1-CE1 4.33Å; F77-F302 HydrophobicContact CD2-CE2 4.16Å; F77-F302 HydrophobicContact CD2-CZ 4.11Å; F77-F302 HydrophobicContact CE2-CE2 4.18Å; F77-F302 AromaticContact CE2-CZ 3.81Å; F77-F302 HydrophobicContact CE2-CZ 3.81Å; F77-F302 HydrophobicContact CG-CE2 4.32Å; F77-F302 HydrophobicContact CZ-CE2 4.38Å; F77-F302 HydrophobicContact CZ-CZ 4.18Å; F97-F302 HydrophobicContact CE2-CB 4.06Å; F97-F302 HydrophobicContact CE2-CD1 4.31Å; F97-F302 HydrophobicContact CE2-CD2 4.07Å; F97-F302 AromaticContact CE2-CG 3.88Å; F97-F302 HydrophobicContact CE2-CG 3.88Å; F97-F302 HydrophobicContact CZ-CB 4.36Å; F97-F302 AromaticContact CZ-CD2 3.78Å; F97-F302 HydrophobicContact CZ-CD2 3.78Å; F97-F302 HydrophobicContact CZ-CE2 4.32Å; F97-F302 HydrophobicContact CZ-CG 4.06Å; T99-F302 HydrophobicContact CG2-CD1 3.92Å; T99-F302 HydrophobicContact CG2-CE1 4.01Å; I283-F302 HydrophobicContact CB-CE2 4.46Å; I283-F302 HydrophobicContact CB-CZ 4.41Å; I283-F302 HydrophobicContact CD1-CE1 3.76Å; I283-F302 HydrophobicContact CD1-CE2 4.14Å; I283-F302 HydrophobicContact CD1-CZ 3.35Å; I283-F302 HydrophobicContact CG1-CD1 4.26Å; I283-F302 HydrophobicContact CG1-CE1 3.62Å; I283-F302 HydrophobicContact CG1-CE2 3.93Å; I283-F302 HydrophobicContact CG1-CZ 3.44Å; I283-F302 VanDerWaalsContact CG1-CZ 3.44Å; I283-F302 HydrophobicContact CG2-CD2 4.45Å; I283-F302 HydrophobicContact CG2-CE2 3.84Å; I283-F302 HydrophobicContact CG2-CZ 4.15Å; V298-F302 HydrophobicContact CG1-CD2 4.04Å; V298-F302 HydrophobicContact CG1-CE2 4.02Å; V298-F302 VanDerWaalsContact O-CD2 3.3Å; V298-F302 WeakPolarHBondContact O-CD2 3.41Å; V298-F302 PolarHBondContact O-N 3.03Å; L299-F302 PolarHBondContact O-N 3.42Å; F302-A305 WeakPolarHBondContact O-CB 3.46Å; F302-A305 PolarHBondContact O-N 3.04Å; F302-Y306 HydrophobicContact CB-CE2 4.44Å; F302-Y306 WeakPolarHBondContact O-CD2 3.32Å; F302-Y306 PolarHBondContact O-N 3.13Å; F302-W333 HydrophobicContact CB-CH2 3.99Å; F302-W333 HydrophobicContact CB-CZ2 4.29Å
303	D	98.9	Very high	98.4	Very high	14 Å²	14	38.2 Å²	38.2	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-40.7	173.2	-171.2	44.2	0	0	0	112.4	L299 K300 A305 Y306 K307 R330 W333 Y346	L299-D303 VanDerWaalsContact O-CB 3.27Å; L299-D303 WeakPolarHBondContact O-CB 3.34Å; L299-D303 PolarHBondContact O-N 2.95Å; K300-D303 PolarHBondContact O-N 2.8Å; D303-A305 VanDerWaalsContact C-N 3.32Å; D303-Y306 PolarHBondContact O-N 3.09Å; D303-K307 VanDerWaalsContact O-CG 3.3Å; D303-K307 WeakPolarHBondContact O-CG 3.27Å; D303-K307 PolarHBondContact O-N 3.07Å; D303-K307 IonicContact OD1-NZ 2.82Å; D303-K307 VanDerWaalsContact OD2-CE 3.24Å; D303-K307 WeakPolarHBondContact OD2-CE 3.15Å; D303-K307 IonicContact OD2-NZ 2.73Å; D303-K307 PolarHBondContact OD2-NZ 2.85Å; D303-R330 IonicContact OD1-CZ 3.56Å; D303-R330 IonicContact OD1-NE 2.83Å; D303-R330 PolarHBondContact OD1-NE 3.23Å; D303-R330 IonicContact OD1-NH2 2.7Å; D303-R330 PolarHBondContact OD1-NH2 3.47Å; D303-W333 HydrophobicContact CB-CZ3 4.05Å; D303-Y346 HydrophobicContact CB-CE2 4.3Å; D303-Y346 PolarHBondContact OD1-OH 2.92Å; D303-Y346 PolarHBondContact OD2-OH 3.06Å
304	W	98.8	Very high	98.5	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.106	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-46.8	170	170.7	94	0	0	0	110.2	W44 T47 Y48 E51 K300 F301 Y306 K307 T308	W44-W304 HydrophobicContact CB-CZ3 3.9Å; W44-W304 HydrophobicContact CG-CZ3 4.16Å; T47-W304 HydrophobicContact CG2-CH2 3.87Å; T47-W304 HydrophobicContact CG2-CZ2 3.77Å; Y48-W304 HydrophobicContact CD2-CB 4Å; Y48-W304 AromaticContact CD2-CD1 3.87Å; Y48-W304 AromaticContact CD2-CD2 3.46Å; Y48-W304 HydrophobicContact CD2-CD2 3.46Å; Y48-W304 VanDerWaalsContact CD2-CD2 3.46Å; Y48-W304 AromaticContact CD2-CE2 3.89Å; Y48-W304 AromaticContact CD2-CE3 3.84Å; Y48-W304 HydrophobicContact CD2-CE3 3.84Å; Y48-W304 AromaticContact CD2-CG 3.51Å; Y48-W304 HydrophobicContact CD2-CG 3.51Å; Y48-W304 HydrophobicContact CE2-CB 3.75Å; Y48-W304 HydrophobicContact CE2-CD2 4.15Å; Y48-W304 AromaticContact CE2-CG 3.7Å; Y48-W304 HydrophobicContact CE2-CG 3.7Å; Y48-W304 HydrophobicContact CG-CD2 4.32Å; Y48-W304 HydrophobicContact CG-CE3 4.3Å; E51-W304 PolarHBondContact OE2-NE1 2.98Å; K300-W304 WeakPolarHBondContact O-CB 3.34Å; K300-W304 PolarHBondContact O-N 3.46Å; F301-W304 PolarHBondContact O-N 2.89Å; W304-Y306 VanDerWaalsContact C-N 3.33Å; W304-Y306 PolarHBondContact O-N 2.89Å; W304-K307 PolarHBondContact O-N 3.08Å; W304-T308 WeakPolarHBondContact CZ2-OG1 3.46Å; W304-T308 PolarHBondContact NE1-OG1 3.3Å; W304-T308 PolarHBondContact O-N 3.28Å; W304-T308 PolarHBondContact O-OG1 3.16Å
305	A	98.8	Very high	98.5	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-40	179.4	0	0	0	0	0	112.5	W44 F301 F302 D303 K307 G309	W44-A305 HydrophobicContact CD2-CB 3.67Å; W44-A305 HydrophobicContact CE3-CB 3.53Å; W44-A305 HydrophobicContact CG-CB 4.28Å; W44-A305 HydrophobicContact CH2-CB 3.99Å; W44-A305 HydrophobicContact CZ2-CB 4.14Å; W44-A305 HydrophobicContact CZ3-CB 3.7Å; F301-A305 PolarHBondContact O-N 3.06Å; F302-A305 WeakPolarHBondContact O-CB 3.46Å; F302-A305 PolarHBondContact O-N 3.04Å; D303-A305 VanDerWaalsContact C-N 3.32Å; A305-K307 VanDerWaalsContact C-N 3.34Å; A305-G309 WeakPolarHBondContact O-CA 3.21Å; A305-G309 PolarHBondContact O-N 3.4Å
306	Y	98.7	Very high	98.6	Very high	33 Å²	33	39.1 Å²	39.1	13%	0.129	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-34.7	172.7	-63.4	-45.1	0	0	0	113.3	F97 P98 F302 D303 W304 L321 V326 V329 W333	F97-Y306 WeakPolarHBondContact CD2-OH 3.42Å; P98-Y306 PolarHBondContact O-OH 3.44Å; F302-Y306 HydrophobicContact CB-CE2 4.44Å; F302-Y306 WeakPolarHBondContact O-CD2 3.32Å; F302-Y306 PolarHBondContact O-N 3.13Å; D303-Y306 PolarHBondContact O-N 3.09Å; W304-Y306 VanDerWaalsContact C-N 3.33Å; W304-Y306 PolarHBondContact O-N 2.89Å; Y306-L321 HydrophobicContact CE1-CD1 4.31Å; Y306-V326 HydrophobicContact CD1-CG1 4.47Å; Y306-V326 HydrophobicContact CD1-CG2 3.92Å; Y306-V326 HydrophobicContact CD2-CG1 3.85Å; Y306-V326 HydrophobicContact CE1-CG2 4.48Å; Y306-V326 HydrophobicContact CG-CG1 3.77Å; Y306-V326 HydrophobicContact CG-CG2 4.05Å; Y306-V329 HydrophobicContact CE2-CG1 4.15Å; Y306-W333 HydrophobicContact CD2-CH2 4.25Å; Y306-W333 AromaticContact CE2-CH2 3.72Å; Y306-W333 HydrophobicContact CE2-CH2 3.72Å; Y306-W333 HydrophobicContact CE2-CZ2 4.14Å
307	K	98.5	Very high	98.6	Very high	133 Å²	133	38.1 Å²	38.1	58%	0.578	19%	0.188	S	C	*	.	H	α-helix	trans	-78.5	-37.6	-177.4	-74.3	170.3	174	167.6	0	113.5	D303 W304 A305 R330	D303-K307 VanDerWaalsContact O-CG 3.3Å; D303-K307 WeakPolarHBondContact O-CG 3.27Å; D303-K307 PolarHBondContact O-N 3.07Å; D303-K307 IonicContact OD1-NZ 2.82Å; D303-K307 VanDerWaalsContact OD2-CE 3.24Å; D303-K307 WeakPolarHBondContact OD2-CE 3.15Å; D303-K307 IonicContact OD2-NZ 2.73Å; D303-K307 PolarHBondContact OD2-NZ 2.85Å; W304-K307 PolarHBondContact O-N 3.08Å; A305-K307 VanDerWaalsContact C-N 3.34Å; K307-R330 VanDerWaalsContact CG-NH2 3.34Å
308	T	98.3	Very high	98.6	Very high	71 Å²	71	36.6 Å²	36.6	44%	0.436	18%	0.181	S	C	.	.	H	α-helix	trans	-128.8	-18	-166.9	67	0	0	0	0	113.2	W304 A310	W304-T308 WeakPolarHBondContact CZ2-OG1 3.46Å; W304-T308 PolarHBondContact NE1-OG1 3.3Å; W304-T308 PolarHBondContact O-N 3.28Å; W304-T308 PolarHBondContact O-OG1 3.16Å; T308-A310 PolarHBondContact O-N 3Å
309	G	98.5	Very high	98.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.			trans	-84.2	-6.1	-169.8	0	0	0	0	0	115.5	W44 A305 K311 Q312 A313	W44-G309 PolarHBondContact NE1-O 2.7Å; A305-G309 WeakPolarHBondContact O-CA 3.21Å; A305-G309 PolarHBondContact O-N 3.4Å; G309-K311 PolarHBondContact O-N 3.44Å; G309-Q312 WeakPolarHBondContact O-CB 3.45Å; G309-Q312 PolarHBondContact O-N 2.92Å; G309-A313 PolarHBondContact O-N 2.74Å
310	A	98.4	Very high	98.6	Very high	40 Å²	40	39 Å²	39	33%	0.331	20%	0.198	S	C	.	.	H	α-helix	trans	-54.2	-50.5	-175.1	0	0	0	0	0	112.4	T308 Q312 A313 N314	T308-A310 PolarHBondContact O-N 3Å; A310-Q312 PolarHBondContact O-N 3.24Å; A310-Q312 VanDerWaalsContact O-N 3.16Å; A310-A313 WeakPolarHBondContact O-CB 3.23Å; A310-A313 PolarHBondContact O-N 3.23Å; A310-N314 PolarHBondContact O-N 2.99Å; A310-N314 PolarHBondContact O-OD1 3.48Å
311	K	98.4	Very high	98.5	Very high	133 Å²	133	34.8 Å²	34.8	58%	0.578	18%	0.18	S	C	*	.	H	α-helix	trans	-55.1	-40.3	177.7	-171.6	-170	-178.1	-47.7	0	111.9	G309 N314 D315	G309-K311 PolarHBondContact O-N 3.44Å; K311-N314 PolarHBondContact O-N 2.97Å; K311-D315 IonicContact NZ-OD1 2.65Å; K311-D315 PolarHBondContact NZ-OD1 3.35Å; K311-D315 IonicContact NZ-OD2 3.85Å; K311-D315 PolarHBondContact NZ-OD2 3.27Å; K311-D315 WeakPolarHBondContact O-CB 3.32Å; K311-D315 PolarHBondContact O-N 3.21Å
312	Q	98.6	Very high	98.4	Very high	31 Å²	31	37.4 Å²	37.4	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-33.4	-178.2	-56	-173.2	-39	0	0	112.2	K43 W44 T47 G309 A310	K43-Q312 HydrophobicContact CG-CB 4Å; K43-Q312 HydrophobicContact CG-CG 4.44Å; W44-Q312 VanDerWaalsContact CD1-OE1 3.28Å; T47-Q312 PolarHBondContact OG1-NE2 2.95Å; T47-Q312 PolarHBondContact OG1-OE1 2.9Å; G309-Q312 WeakPolarHBondContact O-CB 3.45Å; G309-Q312 PolarHBondContact O-N 2.92Å; A310-Q312 PolarHBondContact O-N 3.24Å; A310-Q312 VanDerWaalsContact O-N 3.16Å
313	A	98.7	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-46.3	171.6	0	0	0	0	0	110.9	V40 W44 V100 G309 A310 L316 D317 Y318	V40-A313 HydrophobicContact CG2-CB 3.86Å; W44-A313 HydrophobicContact CZ2-CB 4.02Å; V100-A313 HydrophobicContact CG1-CB 4.34Å; G309-A313 PolarHBondContact O-N 2.74Å; A310-A313 WeakPolarHBondContact O-CB 3.23Å; A310-A313 PolarHBondContact O-N 3.23Å; A313-L316 CarbonylContact O-C 3.37Å; A313-L316 WeakPolarHBondContact O-CA 3.08Å; A313-L316 PolarHBondContact O-N 2.84Å; A313-L316 VanDerWaalsContact O-N 3.08Å; A313-D317 PolarHBondContact O-N 3.24Å; A313-Y318 CarbonylContact C-O 3.59Å; A313-Y318 PolarHBondContact O-N 3.48Å
314	N	98.3	Very high	98.2	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-39	179.4	-54.7	144.8	0	0	0	112.5	E246 A310 K311 L316 D317 Y318	E246-N314 PolarHBondContact OE1-ND2 3.18Å; E246-N314 WeakPolarHBondContact OE2-CB 3.43Å; A310-N314 PolarHBondContact O-N 2.99Å; A310-N314 PolarHBondContact O-OD1 3.48Å; K311-N314 PolarHBondContact O-N 2.97Å; N314-L316 PolarHBondContact O-N 3.21Å; N314-L316 VanDerWaalsContact O-N 3.1Å; N314-D317 WeakPolarHBondContact O-CA 3.23Å; N314-D317 PolarHBondContact O-N 2.93Å; N314-Y318 PolarHBondContact ND2-O 3.45Å; N314-Y318 VanDerWaalsContact ND2-O 3.08Å
315	D	98.2	Very high	98.2	Very high	93 Å²	93	45.4 Å²	45.4	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.7	173.6	-72.4	-15.8	0	0	0	112.2	K311	K311-D315 IonicContact NZ-OD1 2.65Å; K311-D315 PolarHBondContact NZ-OD1 3.35Å; K311-D315 IonicContact NZ-OD2 3.85Å; K311-D315 PolarHBondContact NZ-OD2 3.27Å; K311-D315 WeakPolarHBondContact O-CB 3.32Å; K311-D315 PolarHBondContact O-N 3.21Å
316	L	98.4	Very high	98.2	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.4	174.5	-70.8	169.3	0	0	0	113	P39 V40 K43 A313 N314 Y318	P39-L316 HydrophobicContact CB-CD1 4.22Å; P39-L316 HydrophobicContact CB-CD2 4.47Å; V40-L316 HydrophobicContact CB-CD1 4.04Å; K43-L316 HydrophobicContact CB-CD1 4.08Å; A313-L316 CarbonylContact O-C 3.37Å; A313-L316 WeakPolarHBondContact O-CA 3.08Å; A313-L316 PolarHBondContact O-N 2.84Å; A313-L316 VanDerWaalsContact O-N 3.08Å; N314-L316 PolarHBondContact O-N 3.21Å; N314-L316 VanDerWaalsContact O-N 3.1Å; L316-Y318 VanDerWaalsContact C-N 3.27Å; L316-Y318 HydrophobicContact CB-CD2 3.72Å; L316-Y318 HydrophobicContact CB-CE2 3.8Å; L316-Y318 WeakPolarHBondContact O-CD2 3.08Å; L316-Y318 PolarHBondContact O-N 3.24Å
317	D	98.6	Very high	98.2	Very high	17 Å²	17	49 Å²	49	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	21.9	177.6	-54	-101.4	0	0	0	115.6	Y221 K225 F249 A313 N314	Y221-D317 HydrophobicContact CD1-CB 3.48Å; Y221-D317 VanDerWaalsContact CD1-CB 3.48Å; Y221-D317 HydrophobicContact CE1-CB 3.59Å; K225-D317 WeakPolarHBondContact CD-OD2 3.47Å; K225-D317 WeakPolarHBondContact CE-OD2 3.4Å; K225-D317 IonicContact NZ-OD1 3.18Å; K225-D317 PolarHBondContact NZ-OD1 3.38Å; K225-D317 IonicContact NZ-OD2 2.76Å; K225-D317 PolarHBondContact NZ-OD2 2.99Å; F249-D317 WeakPolarHBondContact CD2-O 3.06Å; F249-D317 WeakPolarHBondContact CE2-O 3.36Å; A313-D317 PolarHBondContact O-N 3.24Å; N314-D317 WeakPolarHBondContact O-CA 3.23Å; N314-D317 PolarHBondContact O-N 2.93Å
318	Y	98.8	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-86.2	135.1	164.5	-59.6	-89.4	0	0	0	110	F36 P39 V40 V100 I101 E220 A222 A313 N314 L316	F36-Y318 HydrophobicContact CD1-CE1 4.28Å; F36-Y318 HydrophobicContact CE1-CD1 4.49Å; F36-Y318 HydrophobicContact CE1-CE1 4.08Å; F36-Y318 PolarHBondContact O-OH 3.09Å; P39-Y318 HydrophobicContact CB-CE2 4.5Å; P39-Y318 WeakPolarHBondContact CD-OH 3.45Å; V40-Y318 HydrophobicContact CB-CD2 3.82Å; V40-Y318 HydrophobicContact CB-CE2 3.77Å; V40-Y318 HydrophobicContact CG1-CD2 3.97Å; V40-Y318 HydrophobicContact CG1-CE1 4.45Å; V40-Y318 HydrophobicContact CG1-CE2 3.84Å; V40-Y318 HydrophobicContact CG1-CG 4.32Å; V40-Y318 HydrophobicContact CG2-CD2 4.5Å; V100-Y318 HydrophobicContact CB-CD1 4.49Å; V100-Y318 HydrophobicContact CG2-CD1 3.82Å; V100-Y318 HydrophobicContact CG2-CE1 4.47Å; V100-Y318 HydrophobicContact CG2-CG 4.23Å; I101-Y318 CarbonylContact O-C 3.59Å; I101-Y318 WeakPolarHBondContact O-CA 3.41Å; E220-Y318 HydrophobicContact CG-CE1 4.06Å; E220-Y318 WeakPolarHBondContact OE1-CE1 3.35Å; E220-Y318 PolarHBondContact OE2-OH 3.3Å; A222-Y318 HydrophobicContact CB-CE2 4.22Å; A313-Y318 CarbonylContact C-O 3.59Å; A313-Y318 PolarHBondContact O-N 3.48Å; N314-Y318 PolarHBondContact ND2-O 3.45Å; N314-Y318 VanDerWaalsContact ND2-O 3.08Å; L316-Y318 VanDerWaalsContact C-N 3.27Å; L316-Y318 HydrophobicContact CB-CD2 3.72Å; L316-Y318 HydrophobicContact CB-CE2 3.8Å; L316-Y318 WeakPolarHBondContact O-CD2 3.08Å; L316-Y318 PolarHBondContact O-N 3.24Å
319	A	98.6	Very high	98.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.9	169.7	0	0	0	0	0	110.2	I101 E246 A250	I101-A319 HydrophobicContact CB-CB 4.1Å; I101-A319 PolarHBondContact N-O 2.93Å; I101-A319 PolarHBondContact O-N 3.32Å; E246-A319 HydrophobicContact CG-CB 4.14Å; A250-A319 HydrophobicContact CB-CB 3.81Å
320	S	98.4	Very high	98.2	Very high	51 Å²	51	43.9 Å²	43.9	36%	0.357	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	148.1	173.5	-64.9	0	0	0	0	110.9
321	L	98	Very high	98.2	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.9	148.7	168.6	-68.9	172.9	0	0	0	110.3	P98 T99 I101 W258 Y306 V325 V326	P98-L321 HydrophobicContact CB-CD1 3.93Å; P98-L321 HydrophobicContact CB-CD2 4.36Å; P98-L321 HydrophobicContact CG-CD1 3.83Å; P98-L321 WeakPolarHBondContact O-CD1 3.22Å; T99-L321 VanDerWaalsContact O-CD1 3.3Å; T99-L321 WeakPolarHBondContact O-CD1 3.4Å; T99-L321 WeakPolarHBondContact O-CG 3.48Å; I101-L321 HydrophobicContact CD1-CD2 4Å; I101-L321 HydrophobicContact CG1-CD2 3.95Å; W258-L321 HydrophobicContact CH2-CD2 4.31Å; W258-L321 HydrophobicContact CZ2-CD2 4.48Å; Y306-L321 HydrophobicContact CE1-CD1 4.31Å; L321-V325 HydrophobicContact CB-CB 4.39Å; L321-V325 HydrophobicContact CD1-CG1 4.24Å; L321-V325 HydrophobicContact CD2-CG1 4.43Å; L321-V326 HydrophobicContact CB-CG2 4.34Å
322	P	96.5	Very high	98.2	Very high	57 Å²	57	39 Å²	39	37%	0.37	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-59.5	144.6	170.7	-20.2	30.8	0	0	0	111.6	S324 V325 V326	P322-S324 PolarHBondContact O-N 2.99Å; P322-S324 VanDerWaalsContact O-N 3.1Å; P322-V325 HydrophobicContact CB-CG2 4.13Å; P322-V325 HydrophobicContact CG-CG2 4.07Å; P322-V325 WeakPolarHBondContact O-CA 3.42Å; P322-V325 WeakPolarHBondContact O-CB 3.46Å; P322-V325 PolarHBondContact O-N 3.37Å; P322-V326 PolarHBondContact O-N 2.97Å
323	D	96.5	Very high	98.2	Very high	133 Å²	133	37.5 Å²	37.5	71%	0.711	22%	0.216	S	C	*	.	H	α-helix	trans	-54.1	-35	179.1	-69.7	-14.1	0	0	0	112.8	V325 V326 E327	D323-V325 VanDerWaalsContact C-N 3.26Å; D323-V325 PolarHBondContact O-N 3.43Å; D323-V326 WeakPolarHBondContact O-CB 3.48Å; D323-V326 PolarHBondContact O-N 2.78Å; D323-E327 WeakPolarHBondContact O-CG 3.44Å; D323-E327 PolarHBondContact O-N 3.43Å
324	S	96.9	Very high	98.2	Very high	77 Å²	77	42.9 Å²	42.9	54%	0.538	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-34.5	175.7	56.9	0	0	0	0	112.9	P322 Q328	P322-S324 PolarHBondContact O-N 2.99Å; P322-S324 VanDerWaalsContact O-N 3.1Å; S324-Q328 VanDerWaalsContact O-CG 3.27Å; S324-Q328 WeakPolarHBondContact O-CG 3.43Å; S324-Q328 PolarHBondContact O-N 3.45Å; S324-Q328 VanDerWaalsContact O-N 3.12Å
325	V	98	Very high	98.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-74.3	-40.1	175.8	-174.2	0	0	0	0	110.1	P98 W258 F262 L321 P322 D323 E327 Q328 V329	P98-V325 HydrophobicContact CG-CG1 4.16Å; W258-V325 HydrophobicContact CB-CG1 4.37Å; W258-V325 HydrophobicContact CB-CG2 3.65Å; W258-V325 VanDerWaalsContact CD1-CG2 3.49Å; W258-V325 HydrophobicContact CD2-CG1 4.19Å; W258-V325 HydrophobicContact CD2-CG2 3.87Å; W258-V325 HydrophobicContact CE3-CG1 4.13Å; W258-V325 HydrophobicContact CG-CB 4.49Å; W258-V325 HydrophobicContact CG-CG1 4.3Å; W258-V325 HydrophobicContact CG-CG2 3.37Å; F262-V325 HydrophobicContact CD1-CG1 4.36Å; F262-V325 HydrophobicContact CE1-CG1 4.28Å; L321-V325 HydrophobicContact CB-CB 4.39Å; L321-V325 HydrophobicContact CD1-CG1 4.24Å; L321-V325 HydrophobicContact CD2-CG1 4.43Å; P322-V325 HydrophobicContact CB-CG2 4.13Å; P322-V325 HydrophobicContact CG-CG2 4.07Å; P322-V325 WeakPolarHBondContact O-CA 3.42Å; P322-V325 WeakPolarHBondContact O-CB 3.46Å; P322-V325 PolarHBondContact O-N 3.37Å; D323-V325 VanDerWaalsContact C-N 3.26Å; D323-V325 PolarHBondContact O-N 3.43Å; V325-E327 VanDerWaalsContact C-N 3.31Å; V325-E327 PolarHBondContact O-N 2.84Å; V325-Q328 WeakPolarHBondContact O-CB 3.38Å; V325-Q328 PolarHBondContact O-N 2.99Å; V325-V329 WeakPolarHBondContact O-CG2 3.28Å; V325-V329 PolarHBondContact O-N 3.39Å
326	V	98.5	Very high	98.2	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-43.7	174.3	176.1	0	0	0	0	110.8	Y306 L321 P322 D323 Q328 V329 R330	Y306-V326 HydrophobicContact CD1-CG1 4.47Å; Y306-V326 HydrophobicContact CD1-CG2 3.92Å; Y306-V326 HydrophobicContact CD2-CG1 3.85Å; Y306-V326 HydrophobicContact CE1-CG2 4.48Å; Y306-V326 HydrophobicContact CG-CG1 3.77Å; Y306-V326 HydrophobicContact CG-CG2 4.05Å; L321-V326 HydrophobicContact CB-CG2 4.34Å; P322-V326 PolarHBondContact O-N 2.97Å; D323-V326 WeakPolarHBondContact O-CB 3.48Å; D323-V326 PolarHBondContact O-N 2.78Å; V326-Q328 PolarHBondContact O-N 3.23Å; V326-V329 WeakPolarHBondContact O-CB 3.38Å; V326-V329 PolarHBondContact O-N 2.93Å; V326-R330 WeakPolarHBondContact O-CG 3.43Å; V326-R330 PolarHBondContact O-N 2.89Å
327	E	98.5	Very high	98.2	Very high	102 Å²	102	41.4 Å²	41.4	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-37.1	175.7	-70.6	-52.6	128	0	0	112.8	D323 V325 R330 A331	D323-E327 WeakPolarHBondContact O-CG 3.44Å; D323-E327 PolarHBondContact O-N 3.43Å; V325-E327 VanDerWaalsContact C-N 3.31Å; V325-E327 PolarHBondContact O-N 2.84Å; E327-R330 PolarHBondContact O-N 3.46Å; E327-R330 IonicContact OE1-CZ 3.52Å; E327-R330 IonicContact OE1-NH1 2.76Å; E327-R330 PolarHBondContact OE1-NH1 3.29Å; E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.91Å
328	Q	98.3	Very high	98.2	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-42.8	172	-73.4	168	-4.1	0	0	111.7	W258 F262 S324 V325 V326 A331 A332	W258-Q328 PolarHBondContact O-OE1 2.95Å; F262-Q328 HydrophobicContact CE1-CB 3.86Å; F262-Q328 HydrophobicContact CZ-CB 3.98Å; S324-Q328 VanDerWaalsContact O-CG 3.27Å; S324-Q328 WeakPolarHBondContact O-CG 3.43Å; S324-Q328 PolarHBondContact O-N 3.45Å; S324-Q328 VanDerWaalsContact O-N 3.12Å; V325-Q328 WeakPolarHBondContact O-CB 3.38Å; V325-Q328 PolarHBondContact O-N 2.99Å; V326-Q328 PolarHBondContact O-N 3.23Å; Q328-A331 PolarHBondContact O-N 2.95Å; Q328-A332 VanDerWaalsContact O-CB 3.31Å; Q328-A332 WeakPolarHBondContact O-CB 3.47Å; Q328-A332 PolarHBondContact O-N 3.09Å
329	V	98.7	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-49.3	175.9	169.6	0	0	0	0	110.6	F97 P98 F262 Y306 V325 V326 A331 A332 W333	F97-V329 HydrophobicContact CB-CG1 3.8Å; F97-V329 HydrophobicContact CB-CG2 4.01Å; F97-V329 HydrophobicContact CD2-CG1 4.13Å; F97-V329 HydrophobicContact CG-CG1 4.07Å; P98-V329 HydrophobicContact CG-CG2 4.38Å; F262-V329 HydrophobicContact CE1-CG2 3.95Å; F262-V329 HydrophobicContact CE2-CG2 4.19Å; F262-V329 HydrophobicContact CZ-CB 4.47Å; F262-V329 HydrophobicContact CZ-CG2 3.71Å; Y306-V329 HydrophobicContact CE2-CG1 4.15Å; V325-V329 WeakPolarHBondContact O-CG2 3.28Å; V325-V329 PolarHBondContact O-N 3.39Å; V326-V329 WeakPolarHBondContact O-CB 3.38Å; V326-V329 PolarHBondContact O-N 2.93Å; V329-A331 PolarHBondContact O-N 3.14Å; V329-A332 PolarHBondContact O-N 2.87Å; V329-W333 HydrophobicContact CG1-CD2 3.96Å; V329-W333 HydrophobicContact CG1-CE3 4.48Å; V329-W333 HydrophobicContact CG1-CH2 4Å; V329-W333 HydrophobicContact CG1-CZ2 3.38Å; V329-W333 HydrophobicContact CG1-CZ3 4.49Å; V329-W333 PolarHBondContact O-N 3.3Å
330	R	98.7	Very high	98.1	Very high	34 Å²	34	49.9 Å²	49.9	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-44.5	176.6	-73.5	176	171.9	139.6	11.6	112.2	D303 K307 V326 E327 W333 K334 Y346	D303-R330 IonicContact OD1-CZ 3.56Å; D303-R330 IonicContact OD1-NE 2.83Å; D303-R330 PolarHBondContact OD1-NE 3.23Å; D303-R330 IonicContact OD1-NH2 2.7Å; D303-R330 PolarHBondContact OD1-NH2 3.47Å; K307-R330 VanDerWaalsContact CG-NH2 3.34Å; V326-R330 WeakPolarHBondContact O-CG 3.43Å; V326-R330 PolarHBondContact O-N 2.89Å; E327-R330 PolarHBondContact O-N 3.46Å; E327-R330 IonicContact OE1-CZ 3.52Å; E327-R330 IonicContact OE1-NH1 2.76Å; E327-R330 PolarHBondContact OE1-NH1 3.29Å; R330-W333 HydrophobicContact CG-CE3 4.49Å; R330-W333 HydrophobicContact CG-CZ3 4.46Å; R330-W333 PolarHBondContact O-N 3.39Å; R330-K334 WeakPolarHBondContact O-CG 3.5Å; R330-K334 PolarHBondContact O-N 2.9Å; R330-Y346 HydrophobicContact CB-CE1 3.83Å; R330-Y346 HydrophobicContact CG-CE1 3.99Å; R330-Y346 WeakPolarHBondContact CG-OH 3.28Å
331	A	98.6	Very high	98	Very high	54 Å²	54	52.7 Å²	52.7	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177.5	0	0	0	0	0	112.2	E327 Q328 V329 K334 T335	E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.91Å; Q328-A331 PolarHBondContact O-N 2.95Å; V329-A331 PolarHBondContact O-N 3.14Å; A331-K334 PolarHBondContact O-N 3.02Å; A331-T335 PolarHBondContact O-OG1 3.06Å
332	A	98.4	Very high	98	Very high	17 Å²	17	54.1 Å²	54.1	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-36.2	177.7	0	0	0	0	0	112.4	F95 F262 Q328 V329 K334 T335 N336	F95-A332 HydrophobicContact CE2-CB 3.86Å; F95-A332 HydrophobicContact CZ-CB 3.47Å; F95-A332 VanDerWaalsContact CZ-CB 3.47Å; F262-A332 HydrophobicContact CE2-CB 4.41Å; Q328-A332 VanDerWaalsContact O-CB 3.31Å; Q328-A332 WeakPolarHBondContact O-CB 3.47Å; Q328-A332 PolarHBondContact O-N 3.09Å; V329-A332 PolarHBondContact O-N 2.87Å; A332-K334 PolarHBondContact O-N 2.96Å; A332-T335 PolarHBondContact O-N 2.94Å; A332-T335 PolarHBondContact O-OG1 3.13Å; A332-N336 WeakPolarHBondContact O-CB 3.37Å; A332-N336 PolarHBondContact O-N 3.37Å; A332-N336 PolarHBondContact O-ND2 3.3Å
333	W	98.7	Very high	98	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.4	-69.7	-20.7	0	0	0	112.6	F95 F97 L299 F302 D303 Y306 V329 R330 T335 N336 I337 Y346	F95-W333 AromaticContact CD1-CD1 3.94Å; F95-W333 AromaticContact CE1-CD1 3.37Å; F95-W333 AromaticContact CE1-NE1 3.62Å; F97-W333 HydrophobicContact CD1-CZ2 4.26Å; F97-W333 AromaticContact CD1-NE1 3.26Å; F97-W333 VanDerWaalsContact CD1-NE1 3.26Å; F97-W333 AromaticContact CD2-CZ2 3.82Å; F97-W333 HydrophobicContact CD2-CZ2 3.82Å; F97-W333 HydrophobicContact CE1-CZ2 4.05Å; F97-W333 AromaticContact CE1-NE1 3.51Å; F97-W333 AromaticContact CE2-CZ2 3.6Å; F97-W333 HydrophobicContact CE2-CZ2 3.6Å; F97-W333 HydrophobicContact CG-CZ2 4.12Å; F97-W333 AromaticContact CG-NE1 3.63Å; F97-W333 AromaticContact CZ-CZ2 3.69Å; F97-W333 HydrophobicContact CZ-CZ2 3.69Å; L299-W333 HydrophobicContact CB-CE3 4.43Å; L299-W333 HydrophobicContact CD1-CB 4.24Å; L299-W333 HydrophobicContact CD1-CD2 4.42Å; L299-W333 HydrophobicContact CD1-CG 4.26Å; L299-W333 HydrophobicContact CD2-CD2 3.86Å; L299-W333 HydrophobicContact CD2-CE3 4.39Å; L299-W333 HydrophobicContact CD2-CG 4.09Å; L299-W333 HydrophobicContact CD2-CZ2 4.12Å; F302-W333 HydrophobicContact CB-CH2 3.99Å; F302-W333 HydrophobicContact CB-CZ2 4.29Å; D303-W333 HydrophobicContact CB-CZ3 4.05Å; Y306-W333 HydrophobicContact CD2-CH2 4.25Å; Y306-W333 AromaticContact CE2-CH2 3.72Å; Y306-W333 HydrophobicContact CE2-CH2 3.72Å; Y306-W333 HydrophobicContact CE2-CZ2 4.14Å; V329-W333 HydrophobicContact CG1-CD2 3.96Å; V329-W333 HydrophobicContact CG1-CE3 4.48Å; V329-W333 HydrophobicContact CG1-CH2 4Å; V329-W333 HydrophobicContact CG1-CZ2 3.38Å; V329-W333 HydrophobicContact CG1-CZ3 4.49Å; V329-W333 PolarHBondContact O-N 3.3Å; R330-W333 HydrophobicContact CG-CE3 4.49Å; R330-W333 HydrophobicContact CG-CZ3 4.46Å; R330-W333 PolarHBondContact O-N 3.39Å; W333-T335 PolarHBondContact O-N 2.85Å; W333-T335 VanDerWaalsContact O-N 3.1Å; W333-N336 PolarHBondContact O-N 3.41Å; W333-I337 HydrophobicContact CB-CG1 4.44Å; W333-I337 PolarHBondContact O-N 2.56Å; W333-Y346 HydrophobicContact CB-CD1 4.01Å; W333-Y346 HydrophobicContact CB-CG 4.13Å; W333-Y346 HydrophobicContact CE3-CD1 4.07Å; W333-Y346 AromaticContact CE3-CD2 3.96Å; W333-Y346 HydrophobicContact CE3-CD2 3.96Å; W333-Y346 HydrophobicContact CE3-CE1 4.06Å; W333-Y346 AromaticContact CE3-CE2 3.95Å; W333-Y346 HydrophobicContact CE3-CE2 3.95Å; W333-Y346 HydrophobicContact CE3-CG 4.03Å; W333-Y346 HydrophobicContact CZ3-CD2 4.46Å; W333-Y346 HydrophobicContact CZ3-CE2 4.11Å
334	K	98.3	Very high	98.1	Very high	113 Å²	113	54.6 Å²	54.6	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-29.2	178.9	-62.3	179.7	178.9	177.7	0	113.5	R330 A331 A332 P344 Y346	R330-K334 WeakPolarHBondContact O-CG 3.5Å; R330-K334 PolarHBondContact O-N 2.9Å; A331-K334 PolarHBondContact O-N 3.02Å; A332-K334 PolarHBondContact O-N 2.96Å; K334-P344 WeakPolarHBondContact O-CB 3.44Å; K334-Y346 HydrophobicContact CG-CD1 3.78Å; K334-Y346 WeakPolarHBondContact CG-OXT 3.31Å
335	T	97.9	Very high	98.2	Very high	88 Å²	88	52.1 Å²	52.1	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-100.3	-26.1	-174.6	55.8	0	0	0	0	113.3	A331 A332 W333 K338	A331-T335 PolarHBondContact O-OG1 3.06Å; A332-T335 PolarHBondContact O-N 2.94Å; A332-T335 PolarHBondContact O-OG1 3.13Å; W333-T335 PolarHBondContact O-N 2.85Å; W333-T335 VanDerWaalsContact O-N 3.1Å; T335-K338 VanDerWaalsContact O-CE 3.25Å; T335-K338 WeakPolarHBondContact O-CE 3.25Å
336	N	98.4	Very high	98.1	Very high	44 Å²	44	56.2 Å²	56.2	24%	0.235	31%	0.313	C	S	.	.	H	α-helix	trans	-106.9	-27.3	-172.3	-74.3	-90.1	0	0	0	114.8	F95 K287 A332 W333	F95-N336 HydrophobicContact CD2-CB 3.68Å; F95-N336 HydrophobicContact CE2-CB 4.11Å; F95-N336 HydrophobicContact CG-CB 4.16Å; K287-N336 WeakPolarHBondContact CA-O 3.33Å; K287-N336 WeakPolarHBondContact CB-O 3.4Å; K287-N336 VanDerWaalsContact CE-OD1 3.29Å; K287-N336 WeakPolarHBondContact CE-OD1 3.39Å; K287-N336 PolarHBondContact NZ-OD1 2.86Å; A332-N336 WeakPolarHBondContact O-CB 3.37Å; A332-N336 PolarHBondContact O-N 3.37Å; A332-N336 PolarHBondContact O-ND2 3.3Å; W333-N336 PolarHBondContact O-N 3.41Å
337	I	98.6	Very high	98.1	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	33%	0.326	C	S	.	.			trans	-105	112.7	-173	-46.1	-56	0	0	0	109.9	F95 V285 Q289 L299 W333 P344 L345	F95-I337 HydrophobicContact CB-CD1 3.57Å; F95-I337 HydrophobicContact CD1-CD1 3.85Å; F95-I337 HydrophobicContact CD1-CG1 4.49Å; F95-I337 HydrophobicContact CG-CD1 3.83Å; V285-I337 HydrophobicContact CG2-CD1 3.62Å; V285-I337 HydrophobicContact CG2-CG1 4.47Å; Q289-I337 HydrophobicContact CG-CG2 3.78Å; L299-I337 HydrophobicContact CD1-CB 4.16Å; L299-I337 HydrophobicContact CD1-CG1 4.27Å; L299-I337 HydrophobicContact CD1-CG2 4.06Å; W333-I337 HydrophobicContact CB-CG1 4.44Å; W333-I337 PolarHBondContact O-N 2.56Å; I337-P344 WeakPolarHBondContact O-CA 3.17Å; I337-L345 HydrophobicContact CG2-CB 4.35Å; I337-L345 HydrophobicContact CG2-CD1 4.31Å; I337-L345 PolarHBondContact O-N 2.72Å
338	K	98.6	Very high	98.1	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.348	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.1	-171.4	-60.9	175.5	-177.9	-178.3	0	111.2	K287 Q289 T335 G342 K343	K287-K338 PolarHBondContact O-N 3.37Å; Q289-K338 PolarHBondContact N-O 3.32Å; T335-K338 VanDerWaalsContact O-CE 3.25Å; T335-K338 WeakPolarHBondContact O-CE 3.25Å; K338-G342 WeakPolarHBondContact CD-O 3.47Å; K338-K343 CarbonylContact C-O 3.56Å; K338-K343 WeakPolarHBondContact CA-O 3.3Å
339	D	98	Very high	98.1	Very high	29 Å²	29	56.1 Å²	56.1	16%	0.155	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	175.1	161.5	68.3	19.2	0	0	0	111.5	P292 S341 G342 K343 L345	P292-D339 HydrophobicContact CB-CB 3.92Å; P292-D339 HydrophobicContact CG-CB 4.35Å; D339-S341 PolarHBondContact O-N 2.91Å; D339-S341 VanDerWaalsContact O-N 3.11Å; D339-S341 VanDerWaalsContact OD1-CA 3.3Å; D339-S341 WeakPolarHBondContact OD1-CA 3.34Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.27Å; D339-G342 PolarHBondContact O-N 2.82Å; D339-G342 PolarHBondContact OD1-N 2.98Å; D339-K343 PolarHBondContact N-O 2.62Å; D339-K343 WeakPolarHBondContact OD1-CB 3.5Å; D339-K343 PolarHBondContact OD1-N 2.82Å; D339-K343 WeakPolarHBondContact OD2-CB 3.18Å; D339-L345 HydrophobicContact CB-CD2 4.23Å
340	S	97.1	Very high	98.1	Very high	88 Å²	88	59.4 Å²	59.4	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.6	178.3	57.4	0	0	0	0	114.5
341	S	97.3	Very high	98	Very high	109 Å²	109	60.9 Å²	60.9	76%	0.762	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-1.7	174.1	-56.4	0	0	0	0	112.6	D339	D339-S341 PolarHBondContact O-N 2.91Å; D339-S341 VanDerWaalsContact O-N 3.11Å; D339-S341 VanDerWaalsContact OD1-CA 3.3Å; D339-S341 WeakPolarHBondContact OD1-CA 3.34Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.27Å
342	G	97.2	Very high	98	Very high	40 Å²	40	61.4 Å²	61.4	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	84.9	9.1	-179.3	0	0	0	0	0	114.6	K338 D339	K338-G342 WeakPolarHBondContact CD-O 3.47Å; D339-G342 PolarHBondContact O-N 2.82Å; D339-G342 PolarHBondContact OD1-N 2.98Å
343	K	97.8	Very high	97.9	Very high	140 Å²	140	64.6 Å²	64.6	61%	0.609	36%	0.36	S	S	*	.			trans	-78.4	129.1	176.4	-175.9	-173.6	172.3	-175	0	110.1	K338 D339	K338-K343 CarbonylContact C-O 3.56Å; K338-K343 WeakPolarHBondContact CA-O 3.3Å; D339-K343 PolarHBondContact N-O 2.62Å; D339-K343 WeakPolarHBondContact OD1-CB 3.5Å; D339-K343 PolarHBondContact OD1-N 2.82Å; D339-K343 WeakPolarHBondContact OD2-CB 3.18Å
344	P	98.1	Very high	97.9	Very high	61 Å²	61	69.5 Å²	69.5	40%	0.396	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-58.3	144	173.5	-26	35.8	0	0	0	113.3	K334 I337	K334-P344 WeakPolarHBondContact O-CB 3.44Å; I337-P344 WeakPolarHBondContact O-CA 3.17Å
345	L	97.9	Very high	97.9	Very high	25 Å²	25	65.9 Å²	65.9	13%	0.131	38%	0.379	C	S	.	.			trans	-103.1	2.6	179.4	-62.5	-177.2	0	0	0	114.3	Q289 P292 V296 I337 D339	Q289-L345 HydrophobicContact CB-CD1 3.51Å; Q289-L345 HydrophobicContact CG-CD1 3.68Å; P292-L345 HydrophobicContact CB-CD1 3.88Å; P292-L345 HydrophobicContact CB-CD2 3.82Å; V296-L345 HydrophobicContact CG2-CB 3.91Å; V296-L345 HydrophobicContact CG2-CD2 4Å; V296-L345 HydrophobicContact CG2-CG 4.38Å; I337-L345 HydrophobicContact CG2-CB 4.35Å; I337-L345 HydrophobicContact CG2-CD1 4.31Å; I337-L345 PolarHBondContact O-N 2.72Å; D339-L345 HydrophobicContact CB-CD2 4.23Å
346	Y	97.5	Very high	97.9	Very high	86 Å²	86	63.9 Å²	63.9	34%	0.337	36%	0.364	S	S	.	.			trans	-144	0	173.8	-170.5	-94.9	0	0	0	109.1	L299 D303 R330 W333 K334	L299-Y346 HydrophobicContact CB-CD2 4.3Å; L299-Y346 HydrophobicContact CD1-CG 4.45Å; D303-Y346 HydrophobicContact CB-CE2 4.3Å; D303-Y346 PolarHBondContact OD1-OH 2.92Å; D303-Y346 PolarHBondContact OD2-OH 3.06Å; R330-Y346 HydrophobicContact CB-CE1 3.83Å; R330-Y346 HydrophobicContact CG-CE1 3.99Å; R330-Y346 WeakPolarHBondContact CG-OH 3.28Å; W333-Y346 HydrophobicContact CB-CD1 4.01Å; W333-Y346 HydrophobicContact CB-CG 4.13Å; W333-Y346 HydrophobicContact CE3-CD1 4.07Å; W333-Y346 AromaticContact CE3-CD2 3.96Å; W333-Y346 HydrophobicContact CE3-CD2 3.96Å; W333-Y346 HydrophobicContact CE3-CE1 4.06Å; W333-Y346 AromaticContact CE3-CE2 3.95Å; W333-Y346 HydrophobicContact CE3-CE2 3.95Å; W333-Y346 HydrophobicContact CE3-CG 4.03Å; W333-Y346 HydrophobicContact CZ3-CD2 4.46Å; W333-Y346 HydrophobicContact CZ3-CE2 4.11Å; K334-Y346 HydrophobicContact CG-CD1 3.78Å; K334-Y346 WeakPolarHBondContact CG-OXT 3.31Å

Retrieved 346 of 346 residues in 128.3 ms (Link to these results)

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