A0A077ZF93_TRITR Loading...

N-acetylphosphatidylethanolamine-hydrolyzing phospholipase D

AlphaFold DB , UniProt , Accession A0A077ZF93, 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	34.2	Very low	58.8	Low	241 Å²	241	115.5 Å²	115.5	100%	1.187	63%	0.625	S	S	*	*				0	109.1	0	-71.1	173.3	177.4	0	0	106.1	I3	M1-I3 PolarHBondContact O-N 3.42Å
2	S	36	Very low	61.6	Low	115 Å²	115	106 Å²	106	80%	0.804	57%	0.573	S	S	*	*			trans	-63.1	131.1	179	55.8	0	0	0	0	108.3	S4	S2-S4 PolarHBondContact O-N 2.86Å
3	I	36.5	Very low	64	Low	167 Å²	167	104.6 Å²	104.6	86%	0.856	56%	0.56	S	S	*	*			trans	-54.6	108.4	168.9	-64	169.7	0	0	0	105.7	M1	M1-I3 PolarHBondContact O-N 3.42Å
4	S	50.1	Low	66.1	Low	86 Å²	86	99 Å²	99	60%	0.601	53%	0.532	S	S	*	.			trans	-49.8	139.8	174.4	52.4	0	0	0	0	108.7	S2 S6	S2-S4 PolarHBondContact O-N 2.86Å; S4-S6 PolarHBondContact O-N 3.18Å; S4-S6 VanDerWaalsContact O-N 3.1Å
5	E	52.6	Low	67.8	Low	176 Å²	176	97.9 Å²	97.9	82%	0.822	53%	0.525	S	S	*	.	S	Bend	trans	-25.3	115.2	173.2	-70.2	175.7	150.5	0	0	111.3	F7	E5-F7 PolarHBondContact O-N 2.81Å
6	S	51.1	Low	69.4	Low	93 Å²	93	96.9 Å²	96.9	65%	0.65	52%	0.524	S	S	*	.			trans	-28.4	104.1	-169.6	54.9	0	0	0	0	113.4	S4 S8	S4-S6 PolarHBondContact O-N 3.18Å; S4-S6 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact O-N 2.8Å
7	F	59.2	Low	70.8	Confident	88 Å²	88	96.7 Å²	96.7	39%	0.386	52%	0.519	S	S	.	.			trans	-67.4	81.1	161.4	-156.6	-86.2	0	0	0	107.1	E5 V247 T250 I251	E5-F7 PolarHBondContact O-N 2.81Å; F7-V247 HydrophobicContact CD1-CG1 4.48Å; F7-V247 HydrophobicContact CD2-CG2 4.28Å; F7-V247 HydrophobicContact CE1-CG1 3.77Å; F7-V247 HydrophobicContact CE2-CB 4.25Å; F7-V247 HydrophobicContact CE2-CG1 4.26Å; F7-V247 HydrophobicContact CE2-CG2 4.1Å; F7-V247 HydrophobicContact CZ-CB 4.09Å; F7-V247 HydrophobicContact CZ-CG1 3.64Å; F7-V247 HydrophobicContact CZ-CG2 4.3Å; F7-T250 VanDerWaalsContact CE2-CB 3.49Å; F7-T250 HydrophobicContact CE2-CG2 3.54Å; F7-T250 HydrophobicContact CZ-CG2 3.46Å; F7-T250 VanDerWaalsContact CZ-CG2 3.46Å; F7-I251 HydrophobicContact CE1-CD1 4.22Å; F7-I251 HydrophobicContact CE1-CG1 4.25Å; F7-I251 HydrophobicContact CZ-CD1 4.38Å; F7-I251 HydrophobicContact CZ-CG1 4.09Å
8	S	75	Confident	72.1	Confident	30 Å²	30	99.5 Å²	99.5	21%	0.21	53%	0.533	C	S	.	.			trans	-97.1	122.8	178.7	-172.5	0	0	0	0	109.5	S6 D10 L11	S6-S8 PolarHBondContact O-N 2.8Å; S8-D10 PolarHBondContact O-N 2.94Å; S8-D10 VanDerWaalsContact O-N 3.15Å; S8-D10 VanDerWaalsContact OG-CB 3.24Å; S8-D10 WeakPolarHBondContact OG-CB 3.31Å; S8-D10 PolarHBondContact OG-N 2.96Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-OD2 2.86Å; S8-L11 WeakPolarHBondContact O-CB 3.41Å; S8-L11 PolarHBondContact O-N 3.33Å
9	F	81.1	Confident	73.2	Confident	117 Å²	117	97.2 Å²	97.2	51%	0.513	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17.4	168.2	-74.5	-86.6	0	0	0	112	L11 L12 H13 I251	F9-L11 PolarHBondContact O-N 2.69Å; F9-L11 VanDerWaalsContact O-N 3.17Å; F9-L12 HydrophobicContact CD1-CD1 4.01Å; F9-L12 WeakPolarHBondContact O-CB 3.5Å; F9-L12 PolarHBondContact O-N 3.41Å; F9-H13 PolarHBondContact O-CD2 3.42Å; F9-I251 HydrophobicContact CD1-CD1 4.29Å; F9-I251 HydrophobicContact CE1-CD1 3.72Å; F9-I251 HydrophobicContact CZ-CD1 4.48Å
10	D	83.7	Confident	74.3	Confident	123 Å²	123	97 Å²	97	66%	0.658	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-58.8	-26.6	172.3	-55	-32.5	0	0	0	112.2	S8 L12 H13	S8-D10 PolarHBondContact O-N 2.94Å; S8-D10 VanDerWaalsContact O-N 3.15Å; S8-D10 VanDerWaalsContact OG-CB 3.24Å; S8-D10 WeakPolarHBondContact OG-CB 3.31Å; S8-D10 PolarHBondContact OG-N 2.96Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-OD2 2.86Å; D10-L12 PolarHBondContact O-N 3.28Å; D10-H13 PolarHBondContact O-N 2.86Å
11	L	87.7	Confident	75.3	Confident	35 Å²	35	93.5 Å²	93.5	18%	0.183	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-68.1	-10.3	174.9	-63.4	179.7	0	0	0	113.3	S8 F9 W25 P204 P243 A244 V247	S8-L11 WeakPolarHBondContact O-CB 3.41Å; S8-L11 PolarHBondContact O-N 3.33Å; F9-L11 PolarHBondContact O-N 2.69Å; F9-L11 VanDerWaalsContact O-N 3.17Å; L11-W25 HydrophobicContact CD2-CE3 3.95Å; L11-W25 HydrophobicContact CD2-CZ3 3.81Å; L11-W25 WeakPolarHBondContact O-CH2 3.31Å; L11-W25 WeakPolarHBondContact O-CZ2 3.21Å; L11-P204 WeakPolarHBondContact O-CG 3.27Å; L11-P243 HydrophobicContact CD1-CB 4.33Å; L11-P243 HydrophobicContact CD2-CG 4.3Å; L11-A244 HydrophobicContact CB-CB 4.38Å; L11-V247 HydrophobicContact CD1-CG2 4.02Å
12	L	92.4	Very high	78.1	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.005	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-99.1	5.1	179.5	-55.4	180	0	0	0	113.3	F9 D10 W184 N185 P204 V247 V248 I251	F9-L12 HydrophobicContact CD1-CD1 4.01Å; F9-L12 WeakPolarHBondContact O-CB 3.5Å; F9-L12 PolarHBondContact O-N 3.41Å; D10-L12 PolarHBondContact O-N 3.28Å; L12-W184 CarbonylContact O-C 3.49Å; L12-W184 WeakPolarHBondContact O-CB 3.18Å; L12-N185 HydrophobicContact CB-CB 3.86Å; L12-N185 WeakPolarHBondContact O-CB 3.43Å; L12-P204 HydrophobicContact CB-CG 4.48Å; L12-P204 HydrophobicContact CD2-CG 3.86Å; L12-V247 HydrophobicContact CD1-CG1 3.91Å; L12-V247 HydrophobicContact CD2-CB 4.21Å; L12-V247 HydrophobicContact CD2-CG1 3.74Å; L12-V247 HydrophobicContact CG-CG1 3.91Å; L12-V248 HydrophobicContact CD2-CG2 4.37Å; L12-I251 HydrophobicContact CD1-CD1 3.61Å
13	H	92.8	Very high	80.8	Confident	88 Å²	88	82.2 Å²	82.2	41%	0.407	44%	0.44	S	S	.	.	S	Bend	trans	-122.6	136.7	-178.5	-65.7	-65.4	0	0	0	111.5	F9 D10 N185	F9-H13 PolarHBondContact O-CD2 3.42Å; D10-H13 PolarHBondContact O-N 2.86Å; H13-N185 PolarHBondContact CE1-ND2 3.45Å; H13-N185 PolarHBondContact NE2-ND2 3.47Å
14	P	92.6	Very high	83.4	Confident	26 Å²	26	76.1 Å²	76.1	17%	0.169	41%	0.411	C	S	.	.			trans	-79.1	153.6	178.2	33.6	-33.3	0	0	0	110.7	F21 T183 W184 L220	P14-F21 HydrophobicContact CB-CD1 4.13Å; P14-F21 HydrophobicContact CG-CD1 4.3Å; P14-F21 HydrophobicContact CG-CE1 4.34Å; P14-T183 WeakPolarHBondContact CG-OG1 3.21Å; P14-W184 HydrophobicContact CB-CD2 4.08Å; P14-W184 HydrophobicContact CB-CE3 3.79Å; P14-W184 HydrophobicContact CB-CZ3 4Å; P14-W184 HydrophobicContact CG-CD2 4.42Å; P14-W184 HydrophobicContact CG-CE3 4.39Å; P14-L220 HydrophobicContact CB-CD1 3.77Å; P14-L220 HydrophobicContact CG-CD1 4.18Å; P14-L220 HydrophobicContact CG-CD2 4.2Å
15	I	92.7	Very high	85.1	Confident	83 Å²	83	72.4 Å²	72.4	43%	0.426	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.1	168.4	-68.8	177.4	0	0	0	108.8	F21 K22 P24	I15-F21 CarbonylContact O-C 3.57Å; I15-F21 WeakPolarHBondContact O-CA 3.45Å; I15-K22 HydrophobicContact CB-CB 4.42Å; I15-K22 HydrophobicContact CG2-CB 4.45Å; I15-K22 PolarHBondContact O-N 2.76Å; I15-P24 HydrophobicContact CB-CG 4.49Å; I15-P24 HydrophobicContact CD1-CB 3.55Å; I15-P24 HydrophobicContact CD1-CG 4.26Å; I15-P24 HydrophobicContact CG1-CB 3.8Å; I15-P24 HydrophobicContact CG1-CG 3.96Å
16	T	93	Very high	86.4	Confident	82 Å²	82	70.5 Å²	70.5	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.8	169.9	-54	0	0	0	0	110	K20 F21	T16-K20 CarbonylContact C-O 3.52Å; T16-K20 WeakPolarHBondContact CA-O 3.21Å; T16-F21 WeakPolarHBondContact OG1-CE1 3.18Å
17	E	92.9	Very high	87.6	Confident	93 Å²	93	68.5 Å²	68.5	44%	0.435	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	127.1	176.4	-167.5	-170.1	131.9	0	0	109.6	G19 K20 K22	E17-G19 PolarHBondContact O-N 3.23Å; E17-K20 PolarHBondContact N-O 2.88Å; E17-K20 PolarHBondContact O-N 3.42Å; E17-K22 HydrophobicContact CB-CD 4.31Å; E17-K22 IonicContact OE1-NZ 3.94Å; E17-K22 PolarHBondContact OE1-NZ 2.89Å; E17-K22 WeakPolarHBondContact OE2-CE 3.49Å; E17-K22 IonicContact OE2-NZ 3.97Å; E17-K22 PolarHBondContact OE2-NZ 3.17Å
18	N	93.5	Very high	88.3	Confident	147 Å²	147	66 Å²	66	79%	0.786	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	39.7	-178.6	-58.4	-46	0	0	0	113.6	K20	N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact O-N 3.49Å
19	G	93	Very high	88.3	Confident	55 Å²	55	69.3 Å²	69.3	57%	0.567	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	19.1	-178.9	0	0	0	0	0	114.6	E17	E17-G19 PolarHBondContact O-N 3.23Å
20	K	95.3	Very high	87.9	Confident	94 Å²	94	68.5 Å²	68.5	41%	0.409	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.2	177.1	-63.7	179.1	-178.9	176.3	0	111.3	T16 E17 N18 N217	T16-K20 CarbonylContact C-O 3.52Å; T16-K20 WeakPolarHBondContact CA-O 3.21Å; E17-K20 PolarHBondContact N-O 2.88Å; E17-K20 PolarHBondContact O-N 3.42Å; N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact O-N 3.49Å; K20-N217 CarbonylContact C-O 3.59Å; K20-N217 VanDerWaalsContact CA-O 3.23Å; K20-N217 WeakPolarHBondContact CA-O 3.28Å; K20-N217 HydrophobicContact CB-CB 4.1Å
21	F	95.9	Very high	87.6	Confident	24 Å²	24	66.2 Å²	66.2	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	147.7	172.4	-63.8	-77.6	0	0	0	111.5	P14 I15 T16 N217 L220 W221	P14-F21 HydrophobicContact CB-CD1 4.13Å; P14-F21 HydrophobicContact CG-CD1 4.3Å; P14-F21 HydrophobicContact CG-CE1 4.34Å; I15-F21 CarbonylContact O-C 3.57Å; I15-F21 WeakPolarHBondContact O-CA 3.45Å; T16-F21 WeakPolarHBondContact OG1-CE1 3.18Å; F21-N217 WeakPolarHBondContact CD2-O 3.25Å; F21-N217 PolarHBondContact N-O 3.45Å; F21-N217 WeakPolarHBondContact O-CB 3.35Å; F21-N217 PolarHBondContact O-ND2 2.79Å; F21-N217 VanDerWaalsContact O-ND2 3.12Å; F21-L220 HydrophobicContact CB-CD1 4.25Å; F21-L220 HydrophobicContact CD1-CB 4.18Å; F21-L220 HydrophobicContact CD1-CD1 3.81Å; F21-L220 HydrophobicContact CD1-CG 4.49Å; F21-L220 HydrophobicContact CD2-CB 3.93Å; F21-L220 VanDerWaalsContact CD2-N 3.34Å; F21-L220 HydrophobicContact CE1-CB 4.12Å; F21-L220 HydrophobicContact CE1-CD1 4.32Å; F21-L220 HydrophobicContact CE2-CB 3.87Å; F21-L220 HydrophobicContact CG-CB 4.08Å; F21-L220 HydrophobicContact CG-CD1 3.99Å; F21-L220 HydrophobicContact CZ-CB 3.97Å; F21-W221 HydrophobicContact CB-CH2 3.95Å; F21-W221 HydrophobicContact CB-CZ3 3.95Å
22	K	93.7	Very high	87.2	Confident	86 Å²	86	66.2 Å²	66.2	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.5	176.6	-66.5	-173.7	177.1	-175.9	0	110.2	I15 E17 P24	I15-K22 HydrophobicContact CB-CB 4.42Å; I15-K22 HydrophobicContact CG2-CB 4.45Å; I15-K22 PolarHBondContact O-N 2.76Å; E17-K22 HydrophobicContact CB-CD 4.31Å; E17-K22 IonicContact OE1-NZ 3.94Å; E17-K22 PolarHBondContact OE1-NZ 2.89Å; E17-K22 WeakPolarHBondContact OE2-CE 3.49Å; E17-K22 IonicContact OE2-NZ 3.97Å; E17-K22 PolarHBondContact OE2-NZ 3.17Å; K22-P24 WeakPolarHBondContact O-CD 3.45Å
23	N	92.9	Very high	86.7	Confident	33 Å²	33	69.9 Å²	69.9	18%	0.176	40%	0.396	C	S	.	.			trans	-64.2	126.6	166.3	-68.2	-56.9	0	0	0	108.5	W25 S28 Q206 H207 W221	N23-W25 PolarHBondContact O-N 2.89Å; N23-S28 VanDerWaalsContact CB-CB 3.47Å; N23-Q206 HydrophobicContact CB-CG 4.41Å; N23-Q206 WeakPolarHBondContact OD1-CA 3.33Å; N23-H207 PolarHBondContact ND2-O 2.53Å; N23-H207 PolarHBondContact OD1-N 3.42Å; N23-W221 WeakPolarHBondContact OD1-CZ2 3.17Å; N23-W221 PolarHBondContact OD1-NE1 3.35Å; N23-W221 VanDerWaalsContact OD1-NE1 3.09Å
24	P	90.4	Very high	86.3	Confident	38 Å²	38	73.2 Å²	73.2	25%	0.247	41%	0.409	C	S	.	.			trans	-83.1	0.4	179.6	-5.3	22	0	0	0	113.5	I15 K22 W184	I15-P24 HydrophobicContact CB-CG 4.49Å; I15-P24 HydrophobicContact CD1-CB 3.55Å; I15-P24 HydrophobicContact CD1-CG 4.26Å; I15-P24 HydrophobicContact CG1-CB 3.8Å; I15-P24 HydrophobicContact CG1-CG 3.96Å; K22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-W184 HydrophobicContact CG-CZ3 4.31Å
25	W	86	Confident	86.1	Confident	8 Å²	8	78.4 Å²	78.4	3%	0.03	43%	0.433	C	S	.	.	S	Bend	trans	-93.1	140.5	-168.3	-36.2	146.2	0	0	0	111.4	L11 N23 S27 S28 W184 P204 C242 A244	L11-W25 HydrophobicContact CD2-CE3 3.95Å; L11-W25 HydrophobicContact CD2-CZ3 3.81Å; L11-W25 WeakPolarHBondContact O-CH2 3.31Å; L11-W25 WeakPolarHBondContact O-CZ2 3.21Å; N23-W25 PolarHBondContact O-N 2.89Å; W25-S27 WeakPolarHBondContact CB-OG 3.33Å; W25-S27 PolarHBondContact O-N 2.96Å; W25-S28 WeakPolarHBondContact O-CB 3.44Å; W25-S28 PolarHBondContact O-N 3.24Å; W25-S28 PolarHBondContact O-OG 3.4Å; W25-W184 HydrophobicContact CH2-CE3 4.42Å; W25-W184 AromaticContact CH2-CZ3 3.79Å; W25-W184 HydrophobicContact CH2-CZ3 3.79Å; W25-W184 HydrophobicContact CZ2-CE3 4.24Å; W25-W184 HydrophobicContact CZ2-CH2 4.01Å; W25-W184 AromaticContact CZ2-CZ3 3.41Å; W25-W184 HydrophobicContact CZ2-CZ3 3.41Å; W25-W184 VanDerWaalsContact CZ2-CZ3 3.41Å; W25-P204 HydrophobicContact CZ2-CB 4.25Å; W25-C242 HydrophobicContact CG-CB 4.23Å; W25-C242 VanDerWaalsContact NE1-CB 3.34Å; W25-A244 HydrophobicContact CZ2-CB 4.42Å
26	P	79	Confident	85.9	Confident	136 Å²	136	77.1 Å²	77.1	88%	0.883	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.7	173	-24.2	34	0	0	0	114.1	S28	P26-S28 PolarHBondContact O-N 2.8Å
27	S	76.3	Confident	85.6	Confident	52 Å²	52	76.1 Å²	76.1	36%	0.364	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16	174.6	49.9	0	0	0	0	113.3	W25 Q206 Y273	W25-S27 WeakPolarHBondContact CB-OG 3.33Å; W25-S27 PolarHBondContact O-N 2.96Å; S27-Q206 PolarHBondContact OG-OE1 3Å; S27-Y273 WeakPolarHBondContact O-CD1 3.42Å
28	S	74.4	Confident	85.3	Confident	34 Å²	34	75 Å²	75	24%	0.238	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-75.2	137	173.7	72.5	0	0	0	0	110.2	N23 W25 P26	N23-S28 VanDerWaalsContact CB-CB 3.47Å; W25-S28 WeakPolarHBondContact O-CB 3.44Å; W25-S28 PolarHBondContact O-N 3.24Å; W25-S28 PolarHBondContact O-OG 3.4Å; P26-S28 PolarHBondContact O-N 2.8Å
29	H	74.7	Confident	85.1	Confident	101 Å²	101	75 Å²	75	47%	0.468	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-104	152.6	173.8	-149.1	41	0	0	0	109.4	Y273	H29-Y273 HydrophobicContact CB-CD1 3.56Å; H29-Y273 HydrophobicContact CB-CD2 3.67Å; H29-Y273 HydrophobicContact CB-CE1 3.53Å; H29-Y273 HydrophobicContact CB-CE2 3.64Å; H29-Y273 HydrophobicContact CB-CG 3.61Å; H29-Y273 AromaticContact CD2-CE2 3.71Å; H29-Y273 AromaticContact CD2-CZ 3.77Å; H29-Y273 AromaticContact CG-CE2 3.9Å; H29-Y273 AromaticContact CG-CZ 3.68Å
30	P	73.5	Confident	84.8	Confident	100 Å²	100	75.2 Å²	75.2	65%	0.649	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-52.3	153	165.7	-22.9	34.7	0	0	0	110.2
31	M	76.2	Confident	84.3	Confident	74 Å²	74	78 Å²	78	37%	0.365	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-51.3	144.6	176.6	-72.7	-61.1	-69.9	0	0	110.9	T33 W208	M31-T33 PolarHBondContact O-N 3.31Å; M31-W208 HydrophobicContact CE-CD2 3.81Å; M31-W208 HydrophobicContact CE-CE3 3.77Å; M31-W208 HydrophobicContact CE-CG 4.39Å; M31-W208 HydrophobicContact CE-CH2 4.22Å; M31-W208 HydrophobicContact CE-CZ2 4.26Å; M31-W208 HydrophobicContact CE-CZ3 3.96Å; M31-W208 HydrophobicContact SD-CB 4.48Å; M31-W208 HydrophobicContact SD-CD2 4.24Å; M31-W208 HydrophobicContact SD-CE3 4.5Å; M31-W208 HydrophobicContact SD-CG 4.22Å
32	P	79.5	Confident	83.7	Confident	35 Å²	35	84 Å²	84	23%	0.227	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-55.3	136.1	179	-23.7	31.8	0	0	0	111.7	E36 V37 F270	P32-E36 WeakPolarHBondContact CA-OE2 3.33Å; P32-E36 HydrophobicContact CB-CB 4.01Å; P32-V37 HydrophobicContact CB-CG2 4.06Å; P32-F270 HydrophobicContact CB-CD2 3.96Å; P32-F270 HydrophobicContact CB-CE2 3.27Å; P32-F270 HydrophobicContact CB-CZ 3.93Å; P32-F270 HydrophobicContact CG-CD2 3.96Å; P32-F270 HydrophobicContact CG-CE1 4.5Å; P32-F270 HydrophobicContact CG-CE2 3.42Å; P32-F270 VanDerWaalsContact CG-CE2 3.42Å; P32-F270 HydrophobicContact CG-CZ 3.73Å
33	T	83.2	Confident	83.3	Confident	78 Å²	78	83.6 Å²	83.6	48%	0.479	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.2	160.6	172.9	62.7	0	0	0	0	110.8	M31 M35 E36 V37	M31-T33 PolarHBondContact O-N 3.31Å; T33-M35 PolarHBondContact O-N 2.95Å; T33-E36 WeakPolarHBondContact CB-OE2 3.46Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.37Å; T33-E36 PolarHBondContact N-OE2 3.46Å; T33-E36 WeakPolarHBondContact O-CB 3.44Å; T33-E36 PolarHBondContact O-N 2.92Å; T33-E36 VanDerWaalsContact OG1-CG 3.3Å; T33-E36 WeakPolarHBondContact OG1-CG 3.34Å; T33-E36 PolarHBondContact OG1-N 3.38Å; T33-E36 PolarHBondContact OG1-OE2 3.36Å; T33-V37 WeakPolarHBondContact O-CG2 3.34Å; T33-V37 PolarHBondContact O-N 2.89Å
34	F	84.1	Confident	82.4	Confident	158 Å²	158	86.7 Å²	86.7	69%	0.693	45%	0.45	S	S	*	.	H	α-helix	trans	-53.7	-39.7	175.3	176.1	-98.1	0	0	0	112.4	V37 L38	F34-V37 PolarHBondContact O-N 2.84Å; F34-L38 HydrophobicContact CZ-CD1 4.47Å; F34-L38 WeakPolarHBondContact O-CB 3.22Å; F34-L38 PolarHBondContact O-N 3.04Å
35	M	88.3	Confident	81.9	Confident	136 Å²	136	88.8 Å²	88.8	67%	0.67	46%	0.455	S	S	*	.	H	α-helix	trans	-66.7	-36.8	178.1	-66.3	-62.6	-107.9	0	0	112.4	T33 L38 R39	T33-M35 PolarHBondContact O-N 2.95Å; M35-L38 PolarHBondContact O-N 3.43Å; M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 2.92Å
36	E	87.6	Confident	81.3	Confident	56 Å²	56	92.3 Å²	92.3	26%	0.262	48%	0.475	S	S	.	.	H	α-helix	trans	-68.5	-41.7	174.5	-74.8	167.5	134.8	0	0	111.8	P32 T33 L38 R39 W40 W269 F270	P32-E36 WeakPolarHBondContact CA-OE2 3.33Å; P32-E36 HydrophobicContact CB-CB 4.01Å; T33-E36 WeakPolarHBondContact CB-OE2 3.46Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.37Å; T33-E36 PolarHBondContact N-OE2 3.46Å; T33-E36 WeakPolarHBondContact O-CB 3.44Å; T33-E36 PolarHBondContact O-N 2.92Å; T33-E36 VanDerWaalsContact OG1-CG 3.3Å; T33-E36 WeakPolarHBondContact OG1-CG 3.34Å; T33-E36 PolarHBondContact OG1-N 3.38Å; T33-E36 PolarHBondContact OG1-OE2 3.36Å; E36-L38 VanDerWaalsContact C-N 3.31Å; E36-L38 PolarHBondContact O-N 2.83Å; E36-R39 PolarHBondContact O-N 3.32Å; E36-W40 WeakPolarHBondContact O-CB 3.4Å; E36-W40 PolarHBondContact O-N 2.92Å; E36-W269 HydrophobicContact CB-CH2 4.39Å; E36-W269 HydrophobicContact CB-CZ3 3.91Å; E36-W269 HydrophobicContact CG-CZ3 3.95Å; E36-W269 WeakPolarHBondContact O-CH2 3.25Å; E36-F270 HydrophobicContact CB-CD2 4.38Å; E36-F270 HydrophobicContact CB-CE2 4.31Å
37	V	86.4	Confident	80.9	Confident	61 Å²	61	96.7 Å²	96.7	37%	0.37	47%	0.474	S	S	.	.	H	α-helix	trans	-61.5	-41.8	173.7	176.2	0	0	0	0	110.9	P32 T33 F34 W40 K41 F270	P32-V37 HydrophobicContact CB-CG2 4.06Å; T33-V37 WeakPolarHBondContact O-CG2 3.34Å; T33-V37 PolarHBondContact O-N 2.89Å; F34-V37 PolarHBondContact O-N 2.84Å; V37-W40 PolarHBondContact O-N 3.48Å; V37-K41 WeakPolarHBondContact O-CB 3.48Å; V37-K41 PolarHBondContact O-N 2.86Å; V37-F270 HydrophobicContact CG2-CE2 4.27Å; V37-F270 HydrophobicContact CG2-CZ 4.27Å
38	L	87.7	Confident	81	Confident	70 Å²	70	98 Å²	98	37%	0.366	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-49.2	176.7	-163.4	75.6	0	0	0	110.9	F34 M35 E36 W40 K41 F42	F34-L38 HydrophobicContact CZ-CD1 4.47Å; F34-L38 WeakPolarHBondContact O-CB 3.22Å; F34-L38 PolarHBondContact O-N 3.04Å; M35-L38 PolarHBondContact O-N 3.43Å; E36-L38 VanDerWaalsContact C-N 3.31Å; E36-L38 PolarHBondContact O-N 2.83Å; L38-W40 VanDerWaalsContact C-N 3.27Å; L38-W40 PolarHBondContact O-N 3.23Å; L38-K41 PolarHBondContact O-N 2.87Å; L38-F42 HydrophobicContact CD1-CD2 3.84Å; L38-F42 HydrophobicContact CD1-CE2 3.47Å; L38-F42 VanDerWaalsContact CD1-CE2 3.47Å; L38-F42 HydrophobicContact CG-CD2 3.88Å; L38-F42 HydrophobicContact CG-CE2 4.04Å; L38-F42 VanDerWaalsContact O-CD2 3.27Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 PolarHBondContact O-N 3.32Å; L38-F42 VanDerWaalsContact O-N 3.09Å
39	R	88.5	Confident	81.4	Confident	147 Å²	147	96.4 Å²	96.4	56%	0.555	47%	0.465	S	S	*	.	H	α-helix	trans	-56.5	-44	175.4	-179.2	-177.6	179.2	173.5	2.9	111.2	M35 E36 Q43 W269	M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 2.92Å; E36-R39 PolarHBondContact O-N 3.32Å; R39-Q43 VanDerWaalsContact O-CB 3.26Å; R39-Q43 WeakPolarHBondContact O-CB 2.97Å; R39-Q43 PolarHBondContact O-N 3.2Å; R39-Q43 VanDerWaalsContact O-N 3.09Å; R39-W269 HydrophobicContact CB-CH2 4.14Å; R39-W269 HydrophobicContact CB-CZ2 4.46Å; R39-W269 HydrophobicContact CG-CH2 4.04Å; R39-W269 HydrophobicContact CG-CZ2 3.9Å
40	W	87.4	Confident	81.7	Confident	58 Å²	58	94.6 Å²	94.6	22%	0.22	46%	0.464	C	S	.	.	H	α-helix	trans	-60.7	-46.7	177.6	169.1	66.5	0	0	0	111.8	E36 V37 L38 F42 W269 F270 M271 G304 Y306	E36-W40 WeakPolarHBondContact O-CB 3.4Å; E36-W40 PolarHBondContact O-N 2.92Å; V37-W40 PolarHBondContact O-N 3.48Å; L38-W40 VanDerWaalsContact C-N 3.27Å; L38-W40 PolarHBondContact O-N 3.23Å; W40-F42 VanDerWaalsContact C-N 3.35Å; W40-F42 PolarHBondContact O-N 3.32Å; W40-W269 HydrophobicContact CB-CH2 4.22Å; W40-F270 HydrophobicContact CB-CD1 4.31Å; W40-F270 HydrophobicContact CB-CD2 4.08Å; W40-F270 HydrophobicContact CB-CE1 4.26Å; W40-F270 HydrophobicContact CB-CE2 3.97Å; W40-F270 HydrophobicContact CB-CG 4.22Å; W40-F270 HydrophobicContact CB-CZ 4.09Å; W40-F270 AromaticContact CD1-CD1 3.9Å; W40-F270 HydrophobicContact CD2-CD1 4.34Å; W40-F270 AromaticContact CD2-CE1 3.84Å; W40-F270 HydrophobicContact CD2-CE1 3.84Å; W40-F270 HydrophobicContact CD2-CZ 4.13Å; W40-F270 HydrophobicContact CE3-CE1 4.27Å; W40-F270 HydrophobicContact CE3-CZ 4.24Å; W40-F270 AromaticContact CG-CD1 3.9Å; W40-F270 HydrophobicContact CG-CD1 3.9Å; W40-F270 AromaticContact CG-CE1 3.81Å; W40-F270 HydrophobicContact CG-CE1 3.81Å; W40-F270 HydrophobicContact CG-CE2 4.41Å; W40-F270 HydrophobicContact CG-CG 4.27Å; W40-F270 HydrophobicContact CG-CZ 4.07Å; W40-M271 HydrophobicContact CZ2-CE 3.95Å; W40-G304 WeakPolarHBondContact CZ2-O 3.43Å; W40-G304 PolarHBondContact NE1-O 3.25Å; W40-Y306 WeakPolarHBondContact CA-OH 3.34Å; W40-Y306 AromaticContact CD1-CE1 3.55Å; W40-Y306 AromaticContact CD1-CZ 3.89Å; W40-Y306 HydrophobicContact CG-CE1 4.49Å; W40-Y306 AromaticContact NE1-CE1 3.84Å; W40-Y306 VanDerWaalsContact O-CE1 3.27Å; W40-Y306 WeakPolarHBondContact O-CE1 2.96Å; W40-Y306 PolarHBondContact O-OH 2.64Å
41	K	84.3	Confident	82.1	Confident	152 Å²	152	92.2 Å²	92.2	66%	0.661	45%	0.449	S	S	*	.	H	α-helix	trans	-67	-32.6	-176.9	-172.2	171.9	-178.8	176.7	0	113.9	V37 L38	V37-K41 WeakPolarHBondContact O-CB 3.48Å; V37-K41 PolarHBondContact O-N 2.86Å; L38-K41 PolarHBondContact O-N 2.87Å
42	F	84.3	Confident	82.2	Confident	152 Å²	152	95 Å²	95	67%	0.667	46%	0.461	S	S	*	.	H	α-helix	trans	-103.1	-11.6	-171.6	-74.1	-70.9	0	0	0	115	L38 W40	L38-F42 HydrophobicContact CD1-CD2 3.84Å; L38-F42 HydrophobicContact CD1-CE2 3.47Å; L38-F42 VanDerWaalsContact CD1-CE2 3.47Å; L38-F42 HydrophobicContact CG-CD2 3.88Å; L38-F42 HydrophobicContact CG-CE2 4.04Å; L38-F42 VanDerWaalsContact O-CD2 3.27Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 PolarHBondContact O-N 3.32Å; L38-F42 VanDerWaalsContact O-N 3.09Å; W40-F42 VanDerWaalsContact C-N 3.35Å; W40-F42 PolarHBondContact O-N 3.32Å
43	Q	84	Confident	82.2	Confident	77 Å²	77	98.6 Å²	98.6	36%	0.36	48%	0.478	S	S	.	.	S	Bend	trans	-77.1	144.7	175	168.7	178.5	-1	0	0	110.7	R39 Y306	R39-Q43 VanDerWaalsContact O-CB 3.26Å; R39-Q43 WeakPolarHBondContact O-CB 2.97Å; R39-Q43 PolarHBondContact O-N 3.2Å; R39-Q43 VanDerWaalsContact O-N 3.09Å; Q43-Y306 HydrophobicContact CB-CE2 4.15Å; Q43-Y306 VanDerWaalsContact CB-OH 3.32Å; Q43-Y306 WeakPolarHBondContact CB-OH 3.17Å; Q43-Y306 VanDerWaalsContact CD-CE2 3.44Å; Q43-Y306 HydrophobicContact CG-CE2 3.61Å
44	S	75.1	Confident	81.8	Confident	97 Å²	97	103.7 Å²	103.7	68%	0.678	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-66.6	135	-175.4	57.2	0	0	0	0	112.2
45	K	79.1	Confident	81.5	Confident	82 Å²	82	99.7 Å²	99.7	36%	0.357	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-79.3	155.4	170.7	-55	-176.6	-179.3	-176.3	0	111.6	R47 E302 S305 Y306	K45-R47 PolarHBondContact O-N 2.93Å; K45-E302 IonicContact NZ-OE1 2.8Å; K45-E302 PolarHBondContact NZ-OE1 2.81Å; K45-S305 WeakPolarHBondContact CD-O 3.26Å; K45-Y306 HydrophobicContact CG-CD1 3.94Å
46	N	73.5	Confident	81.2	Confident	82 Å²	82	97.8 Å²	97.8	44%	0.439	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-68.3	129	172.2	-60.8	-17	0	0	0	109.2	Y306	N46-Y306 WeakPolarHBondContact CA-O 3.47Å; N46-Y306 VanDerWaalsContact CB-O 3.22Å; N46-Y306 WeakPolarHBondContact CB-O 3.48Å; N46-Y306 PolarHBondContact N-O 3.17Å
47	R	71.4	Confident	80.9	Confident	229 Å²	229	97.4 Å²	97.4	86%	0.864	48%	0.479	S	S	*	.	S	Bend	trans	-88.3	-17.1	179.3	-66.1	-172.9	178.1	-164.9	-0.5	113.6	K45 H308	K45-R47 PolarHBondContact O-N 2.93Å; R47-H308 PolarHBondContact O-CD2 3.49Å
48	L	77.6	Confident	80.8	Confident	80 Å²	80	95.6 Å²	95.6	42%	0.419	47%	0.472	S	S	.	.	S	Bend	trans	-128.4	150.7	-177	-67.2	172.2	0	0	0	109.1
49	C	82.9	Confident	81	Confident	0 Å²	0	96.6 Å²	96.6	0%	0	48%	0.483	C	S	.	.			trans	-55.9	147.7	166.4	-179.4	0	0	0	0	110.2	C51 Q52	C49-C51 PolarHBondContact O-N 3.06Å; C49-C51 PolarHBondContact SG-SG 3.15Å; C49-Q52 PolarHBondContact O-N 3.12Å
50	S	81.2	Confident	81.3	Confident	63 Å²	63	93.5 Å²	93.5	44%	0.441	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.3	178.6	61.5	0	0	0	0	114.5	Q52 E311	S50-Q52 VanDerWaalsContact C-N 3.29Å; S50-Q52 PolarHBondContact O-N 3.44Å; S50-E311 PolarHBondContact N-OE2 2.99Å; S50-E311 VanDerWaalsContact N-OE2 3.13Å
51	C	82.4	Confident	81.7	Confident	49 Å²	49	94.3 Å²	94.3	33%	0.331	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.4	176.2	71.9	0	0	0	0	114.6	C49 L53 H55 C314	C49-C51 PolarHBondContact O-N 3.06Å; C49-C51 PolarHBondContact SG-SG 3.15Å; C51-L53 PolarHBondContact O-N 2.91Å; C51-H55 PolarHBondContact SG-NE2 2.99Å; C51-C314 VanDerWaalsContact CB-SG 3.59Å; C51-C314 VanDerWaalsContact SG-SG 3.6Å
52	Q	78.4	Confident	82.3	Confident	134 Å²	134	93.3 Å²	93.3	63%	0.626	49%	0.487	S	S	*	.	S	Bend	trans	62.5	19.2	-179.5	-52.4	-62.5	-48.5	0	0	115	C49 S50	C49-Q52 PolarHBondContact O-N 3.12Å; S50-Q52 VanDerWaalsContact C-N 3.29Å; S50-Q52 PolarHBondContact O-N 3.44Å
53	L	78.2	Confident	82.9	Confident	110 Å²	110	86.6 Å²	86.6	58%	0.576	46%	0.458	S	S	*	.			trans	-105	148.7	174.1	-59.2	176.2	0	0	0	110.9	C51 H55	C51-L53 PolarHBondContact O-N 2.91Å; L53-H55 PolarHBondContact O-CD2 3.45Å
54	E	74.9	Confident	83.6	Confident	184 Å²	184	86.6 Å²	86.6	86%	0.86	46%	0.461	S	S	*	.			trans	-73.5	133.5	166	-71	-174	174.9	0	0	109.6
55	H	78.8	Confident	84.7	Confident	74 Å²	74	83.7 Å²	83.7	34%	0.343	44%	0.436	S	S	.	.			trans	-124.3	139.4	178.5	-67.1	-83.8	0	0	0	110.1	C51 L53 T310	C51-H55 PolarHBondContact SG-NE2 2.99Å; L53-H55 PolarHBondContact O-CD2 3.45Å; H55-T310 HydrophobicContact CB-CG2 3.77Å; H55-T310 WeakPolarHBondContact CB-OG1 3.2Å
56	S	81	Confident	85.6	Confident	97 Å²	97	86.9 Å²	86.9	68%	0.678	45%	0.452	S	S	*	.			trans	-69.8	142.6	162.2	178.5	0	0	0	0	109.6	G58	S56-G58 PolarHBondContact OG-N 3.13Å
57	L	81.3	Confident	86.7	Confident	48 Å²	48	87.3 Å²	87.3	25%	0.251	45%	0.451	S	S	.	.	S	Bend	trans	-73.7	-15	168	-74.1	163.2	0	0	0	112.4	Y60 I117 A309 T310	L57-Y60 WeakPolarHBondContact CB-OH 3.23Å; L57-Y60 WeakPolarHBondContact O-CE1 3.39Å; L57-I117 HydrophobicContact CD1-CB 4.45Å; L57-I117 HydrophobicContact CD1-CD1 4.02Å; L57-I117 HydrophobicContact CD1-CG1 4.35Å; L57-I117 HydrophobicContact CD2-CD1 4.18Å; L57-A309 HydrophobicContact CD2-CB 3.84Å; L57-T310 HydrophobicContact CD2-CG2 3.59Å; L57-T310 HydrophobicContact CG-CG2 3.96Å
58	G	84.6	Confident	87.9	Confident	22 Å²	22	76.4 Å²	76.4	23%	0.227	41%	0.41	C	S	.	.			trans	-94.4	-175.2	176.2	0	0	0	0	0	113.8	S56	S56-G58 PolarHBondContact OG-N 3.13Å
59	P	92.3	Very high	88.8	Confident	91 Å²	91	74.7 Å²	74.7	59%	0.591	41%	0.405	S	S	*	.			cis	-71.3	157.5	11.4	28.6	-33.6	0	0	0	113.3	L61 A333	P59-L61 HydrophobicContact CB-CD2 4.37Å; P59-A333 HydrophobicContact CG-CB 3.95Å; P59-A333 VanDerWaalsContact O-CB 3.25Å; P59-A333 WeakPolarHBondContact O-CB 3.46Å
60	Y	94.8	Very high	89.4	Confident	82 Å²	82	77.8 Å²	77.8	32%	0.322	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-116.4	128.2	169	-52.4	-65.5	0	0	0	107.4	L57 S118 P119 Q334	L57-Y60 WeakPolarHBondContact CB-OH 3.23Å; L57-Y60 WeakPolarHBondContact O-CE1 3.39Å; Y60-S118 VanDerWaalsContact CE1-CB 3.49Å; Y60-P119 HydrophobicContact CD1-CG 4.05Å; Y60-P119 VanDerWaalsContact CD2-CD 3.41Å; Y60-P119 HydrophobicContact CD2-CG 3.51Å; Y60-P119 HydrophobicContact CE2-CG 4.02Å; Y60-P119 HydrophobicContact CG-CG 3.49Å; Y60-P119 VanDerWaalsContact CG-CG 3.49Å; Y60-Q334 HydrophobicContact CD1-CB 4.22Å
61	L	96.3	Very high	90.2	Very high	75 Å²	75	75.9 Å²	75.9	39%	0.393	41%	0.411	S	S	.	.			trans	-111.6	150	-174.6	-55.1	-177.8	0	0	0	110	P59 P63 A333 Q334 E336	P59-L61 HydrophobicContact CB-CD2 4.37Å; L61-P63 WeakPolarHBondContact O-CD 3.2Å; L61-A333 HydrophobicContact CD1-CB 4.48Å; L61-A333 HydrophobicContact CG-CB 4.46Å; L61-Q334 PolarHBondContact N-O 2.8Å; L61-E336 HydrophobicContact CD1-CB 3.83Å; L61-E336 HydrophobicContact CD1-CG 4.23Å
62	V	96.4	Very high	90.8	Very high	132 Å²	132	73.6 Å²	73.6	80%	0.8	40%	0.396	S	S	*	.			trans	-76.9	123.4	165	179.7	0	0	0	0	106.9	D64	V62-D64 PolarHBondContact O-N 2.81Å
63	P	97.7	Very high	91.5	Very high	11 Å²	11	71.4 Å²	71.4	7%	0.071	39%	0.392	C	S	.	.			trans	-61.3	130.6	-179.9	-23.5	33.1	0	0	0	112.8	L61 F65 I80 L82 P121 C122	L61-P63 WeakPolarHBondContact O-CD 3.2Å; P63-F65 HydrophobicContact CB-CD1 4.06Å; P63-F65 HydrophobicContact CB-CE1 3.5Å; P63-F65 VanDerWaalsContact CB-CE1 3.5Å; P63-F65 HydrophobicContact CB-CE2 4.26Å; P63-F65 HydrophobicContact CB-CZ 3.61Å; P63-F65 HydrophobicContact CG-CE1 4.23Å; P63-F65 HydrophobicContact CG-CZ 4.05Å; P63-F65 PolarHBondContact O-N 2.8Å; P63-I80 HydrophobicContact CB-CD1 4.24Å; P63-I80 HydrophobicContact CB-CG2 4.22Å; P63-L82 HydrophobicContact CB-CD2 4.35Å; P63-L82 HydrophobicContact CG-CD2 3.65Å; P63-P121 WeakPolarHBondContact CD-O 3.24Å; P63-P121 HydrophobicContact CG-CB 3.97Å; P63-C122 HydrophobicContact CG-CB 4.38Å
64	D	97.9	Very high	92.2	Very high	77 Å²	77	71 Å²	71	41%	0.412	39%	0.385	S	S	.	.			trans	-94	91.5	167.2	-169.6	-26	0	0	0	110.1	V62 H66 E67 A68 I337	V62-D64 PolarHBondContact O-N 2.81Å; D64-H66 VanDerWaalsContact C-N 3.28Å; D64-H66 PolarHBondContact O-N 3.1Å; D64-H66 PolarHBondContact OD1-N 3.25Å; D64-E67 HydrophobicContact CB-CB 4.01Å; D64-E67 PolarHBondContact OD1-N 2.7Å; D64-A68 PolarHBondContact O-N 3.11Å; D64-A68 VanDerWaalsContact O-N 3.08Å; D64-I337 HydrophobicContact CB-CD1 4.17Å; D64-I337 WeakPolarHBondContact O-CD1 3.37Å
65	F	98	Very high	93.2	Very high	35 Å²	35	63 Å²	63	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-27.8	-179.3	-57.8	-55.4	0	0	0	113.4	P63 S69 I80 L88 C122 E126 L127 P128	P63-F65 HydrophobicContact CB-CD1 4.06Å; P63-F65 HydrophobicContact CB-CE1 3.5Å; P63-F65 VanDerWaalsContact CB-CE1 3.5Å; P63-F65 HydrophobicContact CB-CE2 4.26Å; P63-F65 HydrophobicContact CB-CZ 3.61Å; P63-F65 HydrophobicContact CG-CE1 4.23Å; P63-F65 HydrophobicContact CG-CZ 4.05Å; P63-F65 PolarHBondContact O-N 2.8Å; F65-S69 WeakPolarHBondContact O-CB 3.42Å; F65-S69 PolarHBondContact O-N 3.02Å; F65-S69 PolarHBondContact O-OG 3.32Å; F65-I80 HydrophobicContact CD1-CD1 3.76Å; F65-I80 HydrophobicContact CE1-CD1 4.15Å; F65-L88 HydrophobicContact CD1-CD2 3.63Å; F65-L88 HydrophobicContact CE1-CD2 3.79Å; F65-C122 HydrophobicContact CE2-CB 4.4Å; F65-C122 HydrophobicContact CZ-CB 4.06Å; F65-E126 WeakPolarHBondContact CD2-O 3.45Å; F65-E126 WeakPolarHBondContact CE2-O 3.38Å; F65-L127 HydrophobicContact CE1-CD2 4.25Å; F65-L127 HydrophobicContact CZ-CD2 4.06Å; F65-P128 HydrophobicContact CB-CB 4.4Å; F65-P128 HydrophobicContact CB-CG 4.23Å; F65-P128 HydrophobicContact CD1-CG 4.22Å; F65-P128 HydrophobicContact CG-CG 4.26Å
66	H	97.3	Very high	94	Very high	150 Å²	150	59.6 Å²	59.6	69%	0.694	33%	0.333	S	S	*	.	H	α-helix	trans	-73	-46	179	179.6	-81.5	0	0	0	110.2	D64 A68 S69 S70	D64-H66 VanDerWaalsContact C-N 3.28Å; D64-H66 PolarHBondContact O-N 3.1Å; D64-H66 PolarHBondContact OD1-N 3.25Å; H66-A68 PolarHBondContact O-N 3.13Å; H66-S69 PolarHBondContact O-N 3.07Å; H66-S70 WeakPolarHBondContact O-CB 3.43Å; H66-S70 PolarHBondContact O-N 3.13Å
67	E	97.3	Very high	94.8	Very high	91 Å²	91	55 Å²	55	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-46.5	173.6	-175.5	179.4	-176.6	0	0	111	D64 S69 S70 L71 I337	D64-E67 HydrophobicContact CB-CB 4.01Å; D64-E67 PolarHBondContact OD1-N 2.7Å; E67-S69 VanDerWaalsContact C-N 3.35Å; E67-S69 PolarHBondContact O-N 3.4Å; E67-S70 PolarHBondContact O-N 2.9Å; E67-L71 HydrophobicContact CG-CD1 3.93Å; E67-L71 HydrophobicContact CG-CG 4.34Å; E67-L71 WeakPolarHBondContact O-CB 3.17Å; E67-L71 WeakPolarHBondContact O-CG 3.26Å; E67-L71 PolarHBondContact O-N 3.18Å; E67-I337 HydrophobicContact CB-CD1 3.81Å; E67-I337 HydrophobicContact CG-CD1 3.88Å
68	A	97.4	Very high	95.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-43.4	178.7	0	0	0	0	0	112.5	D64 H66 L71 A72 S78 I80 I337	D64-A68 PolarHBondContact O-N 3.11Å; D64-A68 VanDerWaalsContact O-N 3.08Å; H66-A68 PolarHBondContact O-N 3.13Å; A68-L71 PolarHBondContact O-N 3.33Å; A68-A72 PolarHBondContact O-N 2.84Å; A68-S78 WeakPolarHBondContact O-CB 3.41Å; A68-S78 PolarHBondContact O-OG 2.81Å; A68-I80 HydrophobicContact CB-CD1 3.54Å; A68-I80 HydrophobicContact CB-CG1 3.97Å; A68-I337 HydrophobicContact CB-CD1 4.2Å; A68-I337 HydrophobicContact CB-CG1 4.29Å; A68-I337 HydrophobicContact CB-CG2 4.21Å
69	S	96.2	Very high	96.3	Very high	43 Å²	43	51.7 Å²	51.7	30%	0.301	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-40.8	176.9	-58	0	0	0	0	112.2	F65 H66 E67 A72 T73	F65-S69 WeakPolarHBondContact O-CB 3.42Å; F65-S69 PolarHBondContact O-N 3.02Å; F65-S69 PolarHBondContact O-OG 3.32Å; H66-S69 PolarHBondContact O-N 3.07Å; E67-S69 VanDerWaalsContact C-N 3.35Å; E67-S69 PolarHBondContact O-N 3.4Å; S69-A72 PolarHBondContact O-N 2.89Å; S69-T73 PolarHBondContact O-N 3.02Å; S69-T73 PolarHBondContact O-OG1 2.84Å
70	S	95.7	Very high	96.6	Very high	66 Å²	66	47.3 Å²	47.3	46%	0.462	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-43.5	175.2	179.3	0	0	0	0	111.6	H66 E67 A72 T73 K74	H66-S70 WeakPolarHBondContact O-CB 3.43Å; H66-S70 PolarHBondContact O-N 3.13Å; E67-S70 PolarHBondContact O-N 2.9Å; S70-A72 PolarHBondContact O-N 3.24Å; S70-T73 WeakPolarHBondContact O-CB 3.32Å; S70-T73 PolarHBondContact O-N 2.94Å; S70-K74 WeakPolarHBondContact O-CB 3.29Å; S70-K74 PolarHBondContact O-N 2.84Å
71	L	96.3	Very high	96.7	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-41	175.6	-73.8	167.2	0	0	0	111.8	E67 A68 T73 K74 H75 I337 K339	E67-L71 HydrophobicContact CG-CD1 3.93Å; E67-L71 HydrophobicContact CG-CG 4.34Å; E67-L71 WeakPolarHBondContact O-CB 3.17Å; E67-L71 WeakPolarHBondContact O-CG 3.26Å; E67-L71 PolarHBondContact O-N 3.18Å; A68-L71 PolarHBondContact O-N 3.33Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 3.28Å; L71-K74 PolarHBondContact O-N 2.97Å; L71-H75 WeakPolarHBondContact O-CB 3.46Å; L71-H75 PolarHBondContact O-CD2 2.82Å; L71-H75 PolarHBondContact O-N 3.47Å; L71-I337 HydrophobicContact CD1-CG2 3.78Å; L71-K339 HydrophobicContact CD1-CB 3.98Å; L71-K339 HydrophobicContact CD2-CB 4.27Å
72	A	95.5	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-36.3	175.6	0	0	0	0	0	112.5	A68 S69 S70 K74 G76 N90	A68-A72 PolarHBondContact O-N 2.84Å; S69-A72 PolarHBondContact O-N 2.89Å; S70-A72 PolarHBondContact O-N 3.24Å; A72-K74 VanDerWaalsContact C-N 3.31Å; A72-K74 PolarHBondContact O-N 2.77Å; A72-G76 CarbonylContact O-C 3.57Å; A72-G76 VanDerWaalsContact O-C 3.31Å; A72-G76 WeakPolarHBondContact O-CA 3.38Å; A72-G76 PolarHBondContact O-N 2.87Å; A72-N90 HydrophobicContact CB-CB 3.59Å; A72-N90 WeakPolarHBondContact CB-O 3.2Å
73	T	93.8	Very high	96.8	Very high	88 Å²	88	33.9 Å²	33.9	54%	0.54	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-40.1	173.6	-57.2	0	0	0	0	111.4	S69 S70 L71	S69-T73 PolarHBondContact O-N 3.02Å; S69-T73 PolarHBondContact O-OG1 2.84Å; S70-T73 WeakPolarHBondContact O-CB 3.32Å; S70-T73 PolarHBondContact O-N 2.94Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 3.28Å
74	K	93.7	Very high	96.8	Very high	102 Å²	102	33.5 Å²	33.5	44%	0.443	18%	0.176	S	C	.	.	H	α-helix	trans	-82	-36.2	-176.5	-175.4	177.5	176.8	-165.9	0	114.3	S70 L71 A72 E343 I344	S70-K74 WeakPolarHBondContact O-CB 3.29Å; S70-K74 PolarHBondContact O-N 2.84Å; L71-K74 PolarHBondContact O-N 2.97Å; A72-K74 VanDerWaalsContact C-N 3.31Å; A72-K74 PolarHBondContact O-N 2.77Å; K74-E343 WeakPolarHBondContact CE-OE1 3.26Å; K74-E343 HydrophobicContact CG-CG 4.38Å; K74-E343 IonicContact NZ-OE1 3.48Å; K74-E343 PolarHBondContact NZ-OE1 3.47Å; K74-I344 WeakPolarHBondContact O-CG1 3.22Å
75	H	95.3	Very high	96.8	Very high	16 Å²	16	29.8 Å²	29.8	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-114.4	-1	-172.1	-62.7	-86.1	0	0	0	113.5	L71 L77 R231 P340 D342 E343 I344	L71-H75 WeakPolarHBondContact O-CB 3.46Å; L71-H75 PolarHBondContact O-CD2 2.82Å; L71-H75 PolarHBondContact O-N 3.47Å; H75-L77 PolarHBondContact O-N 2.93Å; H75-R231 PolarHBondContact O-NE 2.89Å; H75-R231 PolarHBondContact O-NH2 3.41Å; H75-P340 HydrophobicContact CB-CB 4.02Å; H75-P340 HydrophobicContact CB-CG 3.68Å; H75-D342 PolarHBondContact ND1-O 2.96Å; H75-D342 VanDerWaalsContact ND1-O 3.13Å; H75-E343 WeakPolarHBondContact CE1-CG 3.27Å; H75-I344 WeakPolarHBondContact O-CG2 3.46Å
76	G	95.4	Very high	96.8	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	81.9	-18.9	-178.2	0	0	0	0	0	114.6	A72 F91 M92	A72-G76 CarbonylContact O-C 3.57Å; A72-G76 VanDerWaalsContact O-C 3.31Å; A72-G76 WeakPolarHBondContact O-CA 3.38Å; A72-G76 PolarHBondContact O-N 2.87Å; G76-F91 WeakPolarHBondContact O-CA 3.45Å; G76-M92 PolarHBondContact O-N 2.94Å
77	L	97.3	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	146.6	-177.3	-168.9	65.9	0	0	0	110.9	H75 V89 N90 F91 R231 D256 L257 W338 P340	H75-L77 PolarHBondContact O-N 2.93Å; L77-V89 HydrophobicContact CD1-CG1 3.71Å; L77-N90 CarbonylContact C-O 3.56Å; L77-N90 VanDerWaalsContact CA-O 3.24Å; L77-N90 WeakPolarHBondContact CA-O 3.24Å; L77-F91 HydrophobicContact CD1-CD1 3.74Å; L77-F91 HydrophobicContact CD1-CD2 3.96Å; L77-F91 HydrophobicContact CD1-CE1 3.69Å; L77-F91 HydrophobicContact CD1-CE2 3.9Å; L77-F91 HydrophobicContact CD1-CG 3.89Å; L77-F91 HydrophobicContact CD1-CZ 3.77Å; L77-R231 HydrophobicContact CB-CB 4.1Å; L77-R231 HydrophobicContact CB-CG 3.95Å; L77-R231 HydrophobicContact CD2-CB 4.4Å; L77-D256 HydrophobicContact CD2-CB 4.1Å; L77-L257 HydrophobicContact CD2-CB 3.71Å; L77-L257 HydrophobicContact CD2-CD2 4.48Å; L77-W338 HydrophobicContact CD2-CH2 4.34Å; L77-W338 HydrophobicContact CD2-CZ3 3.93Å; L77-W338 HydrophobicContact CG-CZ3 4.08Å; L77-P340 HydrophobicContact CB-CG 4.34Å; L77-P340 WeakPolarHBondContact O-CD 3.39Å; L77-P340 WeakPolarHBondContact O-CG 3.24Å
78	S	98.1	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	165.3	161.6	75.3	0	0	0	0	108.9	A68 N90	A68-S78 WeakPolarHBondContact O-CB 3.41Å; A68-S78 PolarHBondContact O-OG 2.81Å; S78-N90 PolarHBondContact N-O 2.87Å; S78-N90 PolarHBondContact O-N 2.87Å; S78-N90 PolarHBondContact OG-ND2 3.27Å
79	A	98.6	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.8	176.3	0	0	0	0	0	111.8	V87 L88 L257 L294 I337 W338	A79-V87 HydrophobicContact CB-CG1 3.9Å; A79-L88 CarbonylContact C-O 3.57Å; A79-L88 VanDerWaalsContact CA-O 3.23Å; A79-L88 WeakPolarHBondContact CA-O 3.47Å; A79-L257 HydrophobicContact CB-CD2 3.58Å; A79-L294 HydrophobicContact CB-CD1 4.19Å; A79-I337 CarbonylContact O-C 3.39Å; A79-I337 WeakPolarHBondContact O-CA 3.42Å; A79-W338 HydrophobicContact CB-CB 4.48Å; A79-W338 HydrophobicContact CB-CE3 4.39Å; A79-W338 PolarHBondContact N-O 2.84Å; A79-W338 VanDerWaalsContact N-O 3.15Å; A79-W338 PolarHBondContact O-N 3.02Å
80	I	98.6	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.2	169	-63.2	165.2	0	0	0	108.1	P63 F65 A68 L82 V87 L88 E336 I337	P63-I80 HydrophobicContact CB-CD1 4.24Å; P63-I80 HydrophobicContact CB-CG2 4.22Å; F65-I80 HydrophobicContact CD1-CD1 3.76Å; F65-I80 HydrophobicContact CE1-CD1 4.15Å; A68-I80 HydrophobicContact CB-CD1 3.54Å; A68-I80 HydrophobicContact CB-CG1 3.97Å; I80-L82 HydrophobicContact CG2-CD2 3.6Å; I80-L82 HydrophobicContact CG2-CG 4.22Å; I80-V87 CarbonylContact O-C 3.33Å; I80-V87 WeakPolarHBondContact O-CA 3.18Å; I80-L88 HydrophobicContact CB-CB 4.36Å; I80-L88 HydrophobicContact CD1-CD2 4.26Å; I80-L88 PolarHBondContact N-O 3.2Å; I80-L88 PolarHBondContact O-N 3.49Å; I80-E336 WeakPolarHBondContact CA-O 3.35Å; I80-I337 HydrophobicContact CD1-CG1 4.15Å; I80-I337 HydrophobicContact CG1-CB 4.38Å; I80-I337 HydrophobicContact CG1-CG1 3.75Å
81	W	98.3	Very high	97.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.9	171.6	-177.5	47.6	0	0	0	110.3	G83 H84 W298 L332 Q334 G335 E336	W81-G83 VanDerWaalsContact C-N 3.35Å; W81-H84 PolarHBondContact NE1-O 3.48Å; W81-W298 AromaticContact CH2-CD1 3.82Å; W81-W298 AromaticContact CH2-CD2 3.78Å; W81-W298 HydrophobicContact CH2-CD2 3.78Å; W81-W298 AromaticContact CH2-CE2 3.32Å; W81-W298 HydrophobicContact CH2-CE3 4.48Å; W81-W298 HydrophobicContact CH2-CG 4.07Å; W81-W298 HydrophobicContact CH2-CH2 4.39Å; W81-W298 AromaticContact CH2-CZ2 3.68Å; W81-W298 HydrophobicContact CH2-CZ2 3.68Å; W81-W298 AromaticContact CH2-NE1 3.35Å; W81-W298 VanDerWaalsContact CH2-NE1 3.35Å; W81-W298 WeakPolarHBondContact CH2-O 3.3Å; W81-W298 HydrophobicContact CZ2-CG 4.47Å; W81-W298 AromaticContact CZ2-NE1 3.87Å; W81-W298 WeakPolarHBondContact CZ2-O 3.36Å; W81-W298 HydrophobicContact CZ3-CD2 4.47Å; W81-W298 AromaticContact CZ3-CE2 3.64Å; W81-W298 HydrophobicContact CZ3-CH2 4.22Å; W81-W298 AromaticContact CZ3-CZ2 3.5Å; W81-W298 HydrophobicContact CZ3-CZ2 3.5Å; W81-W298 AromaticContact CZ3-NE1 3.81Å; W81-L332 HydrophobicContact CB-CB 4.43Å; W81-L332 HydrophobicContact CB-CD1 4.18Å; W81-L332 HydrophobicContact CE3-CB 4.39Å; W81-L332 WeakPolarHBondContact CZ3-O 3.44Å; W81-Q334 HydrophobicContact CD2-CG 4.48Å; W81-Q334 HydrophobicContact CE3-CG 3.92Å; W81-Q334 HydrophobicContact CH2-CG 4Å; W81-Q334 HydrophobicContact CZ3-CG 3.65Å; W81-Q334 CarbonylContact O-C 3.58Å; W81-Q334 WeakPolarHBondContact O-CA 3.25Å; W81-G335 PolarHBondContact O-N 3.38Å; W81-E336 PolarHBondContact N-O 2.75Å
82	L	98.1	Very high	97.2	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	9.2	-177.6	-59.9	176.3	0	0	0	112.9	P63 I80 T86 L88 L97 F102 R116 P121 L127	P63-L82 HydrophobicContact CB-CD2 4.35Å; P63-L82 HydrophobicContact CG-CD2 3.65Å; I80-L82 HydrophobicContact CG2-CD2 3.6Å; I80-L82 HydrophobicContact CG2-CG 4.22Å; L82-T86 HydrophobicContact CB-CG2 3.94Å; L82-T86 HydrophobicContact CD1-CG2 4.06Å; L82-T86 PolarHBondContact N-O 2.76Å; L82-L88 HydrophobicContact CD1-CB 4.28Å; L82-L97 HydrophobicContact CD1-CD1 4.18Å; L82-F102 HydrophobicContact CD1-CZ 4.04Å; L82-R116 PolarHBondContact O-NH2 3.25Å; L82-P121 HydrophobicContact CB-CG 4.47Å; L82-P121 HydrophobicContact CD2-CB 4.1Å; L82-P121 VanDerWaalsContact O-CG 3.3Å; L82-P121 WeakPolarHBondContact O-CG 3.41Å; L82-L127 HydrophobicContact CD1-CD2 4.04Å
83	G	96.9	Very high	97.2	Very high	1 Å²	1	18 Å²	18	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	156.6	-177.6	0	0	0	0	0	112.9	W81 S85 T86 T300	W81-G83 VanDerWaalsContact C-N 3.35Å; G83-S85 PolarHBondContact O-N 2.83Å; G83-T86 WeakPolarHBondContact O-CB 3.43Å; G83-T86 PolarHBondContact O-N 3.5Å; G83-T300 WeakPolarHBondContact CA-OG1 3.49Å
84	H	97.1	Very high	97.4	Very high	3 Å²	3	14 Å²	14	1%	0.014	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-124.3	-175.7	-158.5	62.4	0	0	0	111.1	W81 I101 D141 H142 I296 H297 T300 Y301	W81-H84 PolarHBondContact NE1-O 3.48Å; H84-I101 HydrophobicContact CB-CG2 4.18Å; H84-D141 PolarHBondContact CD2-O 3.39Å; H84-D141 VanDerWaalsContact CD2-O 3.25Å; H84-D141 IonicContact CD2-OD2 3.48Å; H84-D141 IonicContact CE1-OD2 3.18Å; H84-D141 PolarHBondContact CE1-OD2 3.49Å; H84-D141 IonicContact NE2-OD2 3.98Å; H84-D141 PolarHBondContact NE2-OD2 3.49Å; H84-H142 AromaticContact NE2-NE2 3.61Å; H84-I296 WeakPolarHBondContact O-CB 3.38Å; H84-H297 AromaticContact CE1-CD2 3.09Å; H84-H297 PolarHBondContact CE1-CD2 3.03Å; H84-H297 AromaticContact CE1-CE1 3.94Å; H84-H297 AromaticContact CE1-NE2 3Å; H84-H297 PolarHBondContact CE1-NE2 2.98Å; H84-H297 AromaticContact ND1-CD2 3.66Å; H84-H297 AromaticContact ND1-NE2 3.97Å; H84-H297 AromaticContact NE2-CD2 3.32Å; H84-H297 PolarHBondContact NE2-CD2 3.47Å; H84-H297 VanDerWaalsContact NE2-CD2 3.32Å; H84-H297 AromaticContact NE2-NE2 3.29Å; H84-H297 PolarHBondContact NE2-NE2 3.26Å; H84-H297 PolarHBondContact O-N 3.21Å; H84-T300 HydrophobicContact CB-CG2 3.97Å; H84-T300 PolarHBondContact N-OG1 2.82Å; H84-Y301 HydrophobicContact CB-CD2 3.98Å; H84-Y301 HydrophobicContact CB-CE2 3.79Å; H84-Y301 AromaticContact CG-CD2 3.79Å; H84-Y301 AromaticContact CG-CE2 3.95Å; H84-Y301 AromaticContact ND1-CD2 3.68Å
85	S	98.2	Very high	97.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.8	175.7	-62.1	0	0	0	0	113.5	G83 T98 H142 H297	G83-S85 PolarHBondContact O-N 2.83Å; S85-T98 PolarHBondContact O-OG1 3.03Å; S85-H142 PolarHBondContact OG-CE1 2.78Å; S85-H297 PolarHBondContact OG-CD2 3.33Å
86	T	98.8	Very high	97.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.9	-179.5	-51.1	0	0	0	0	111.9	L82 G83 L97 T98 D99 P100 I101 F102	L82-T86 HydrophobicContact CB-CG2 3.94Å; L82-T86 HydrophobicContact CD1-CG2 4.06Å; L82-T86 PolarHBondContact N-O 2.76Å; G83-T86 WeakPolarHBondContact O-CB 3.43Å; G83-T86 PolarHBondContact O-N 3.5Å; T86-L97 HydrophobicContact CG2-CD1 3.68Å; T86-L97 HydrophobicContact CG2-CG 4.26Å; T86-T98 VanDerWaalsContact CA-O 3.28Å; T86-T98 WeakPolarHBondContact CA-O 3.47Å; T86-D99 PolarHBondContact OG1-O 2.88Å; T86-P100 HydrophobicContact CG2-CB 4.43Å; T86-P100 WeakPolarHBondContact OG1-CA 3.47Å; T86-I101 PolarHBondContact OG1-N 3.42Å; T86-F102 HydrophobicContact CG2-CE2 4.29Å
87	V	98.8	Very high	97.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.6	174.9	-172.5	0	0	0	0	108.6	A79 I80 V89 L97 T98 A259 I296	A79-V87 HydrophobicContact CB-CG1 3.9Å; I80-V87 CarbonylContact O-C 3.33Å; I80-V87 WeakPolarHBondContact O-CA 3.18Å; V87-V89 HydrophobicContact CB-CG2 4.24Å; V87-V89 HydrophobicContact CG1-CG2 3.7Å; V87-L97 WeakPolarHBondContact O-CA 3.42Å; V87-T98 HydrophobicContact CB-CG2 4.44Å; V87-T98 PolarHBondContact N-OG1 3Å; V87-T98 PolarHBondContact O-N 3.25Å; V87-A259 HydrophobicContact CG2-CB 4.09Å; V87-I296 HydrophobicContact CG2-CG2 4.02Å
88	L	98.8	Very high	98	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113	167.4	-176.6	76.3	0	0	0	108.1	F65 A79 I80 L82 T95 F96 L97 P128 I130	F65-L88 HydrophobicContact CD1-CD2 3.63Å; F65-L88 HydrophobicContact CE1-CD2 3.79Å; A79-L88 CarbonylContact C-O 3.57Å; A79-L88 VanDerWaalsContact CA-O 3.23Å; A79-L88 WeakPolarHBondContact CA-O 3.47Å; I80-L88 HydrophobicContact CB-CB 4.36Å; I80-L88 HydrophobicContact CD1-CD2 4.26Å; I80-L88 PolarHBondContact N-O 3.2Å; I80-L88 PolarHBondContact O-N 3.49Å; L82-L88 HydrophobicContact CD1-CB 4.28Å; L88-T95 HydrophobicContact CD1-CG2 3.58Å; L88-T95 HydrophobicContact CG-CG2 4.18Å; L88-F96 CarbonylContact C-O 3.59Å; L88-L97 HydrophobicContact CB-CD1 4.07Å; L88-L97 HydrophobicContact CD1-CD1 4.05Å; L88-P128 HydrophobicContact CD1-CG 4.43Å; L88-P128 HydrophobicContact CD2-CG 3.75Å; L88-I130 HydrophobicContact CD1-CD1 4.28Å; L88-I130 HydrophobicContact CD1-CG1 4.14Å
89	V	98.7	Very high	98.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.5	-175.8	-173.8	0	0	0	0	108.9	L77 V87 F91 F96 F233	L77-V89 HydrophobicContact CD1-CG1 3.71Å; V87-V89 HydrophobicContact CB-CG2 4.24Å; V87-V89 HydrophobicContact CG1-CG2 3.7Å; V89-F91 HydrophobicContact CG1-CD2 4.11Å; V89-F91 HydrophobicContact CG1-CE2 3.63Å; V89-F91 HydrophobicContact CG1-CZ 4.37Å; V89-F96 PolarHBondContact N-O 2.71Å; V89-F96 PolarHBondContact O-N 3.13Å; V89-F233 HydrophobicContact CG1-CB 4.34Å; V89-F233 HydrophobicContact CG1-CD1 4.31Å; V89-F233 HydrophobicContact CG1-CD2 4.24Å; V89-F233 HydrophobicContact CG1-CG 4.05Å; V89-F233 HydrophobicContact CG2-CD1 4.12Å; V89-F233 HydrophobicContact CG2-CD2 4.27Å; V89-F233 HydrophobicContact CG2-CE1 3.72Å; V89-F233 HydrophobicContact CG2-CE2 3.9Å; V89-F233 HydrophobicContact CG2-CG 4.37Å; V89-F233 HydrophobicContact CG2-CZ 3.61Å
90	N	98.4	Very high	98.1	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.2	-179.9	-51.6	-86	0	0	0	108.5	A72 L77 S78 T95	A72-N90 HydrophobicContact CB-CB 3.59Å; A72-N90 WeakPolarHBondContact CB-O 3.2Å; L77-N90 CarbonylContact C-O 3.56Å; L77-N90 VanDerWaalsContact CA-O 3.24Å; L77-N90 WeakPolarHBondContact CA-O 3.24Å; S78-N90 PolarHBondContact N-O 2.87Å; S78-N90 PolarHBondContact O-N 2.87Å; S78-N90 PolarHBondContact OG-ND2 3.27Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.34Å
91	F	97.7	Very high	98	Very high	12 Å²	12	9.3 Å²	9.3	5%	0.053	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	162.4	162.3	-67.7	-101.6	0	0	0	109.2	G76 L77 V89 K93 G94 F96 F198 I226 R231 F233	G76-F91 WeakPolarHBondContact O-CA 3.45Å; L77-F91 HydrophobicContact CD1-CD1 3.74Å; L77-F91 HydrophobicContact CD1-CD2 3.96Å; L77-F91 HydrophobicContact CD1-CE1 3.69Å; L77-F91 HydrophobicContact CD1-CE2 3.9Å; L77-F91 HydrophobicContact CD1-CG 3.89Å; L77-F91 HydrophobicContact CD1-CZ 3.77Å; V89-F91 HydrophobicContact CG1-CD2 4.11Å; V89-F91 HydrophobicContact CG1-CE2 3.63Å; V89-F91 HydrophobicContact CG1-CZ 4.37Å; F91-K93 PolarHBondContact O-N 3Å; F91-G94 WeakPolarHBondContact CA-O 3.48Å; F91-G94 WeakPolarHBondContact CB-O 3.27Å; F91-G94 PolarHBondContact N-O 3.4Å; F91-G94 PolarHBondContact O-N 2.78Å; F91-F96 AromaticContact CD2-CD2 3.75Å; F91-F96 HydrophobicContact CD2-CD2 3.75Å; F91-F96 AromaticContact CD2-CE2 3.91Å; F91-F96 HydrophobicContact CD2-CE2 3.91Å; F91-F96 AromaticContact CE2-CD2 3.92Å; F91-F96 HydrophobicContact CE2-CD2 3.92Å; F91-F96 HydrophobicContact CE2-CE2 4.21Å; F91-F198 HydrophobicContact CB-CE1 3.7Å; F91-F198 HydrophobicContact CB-CZ 3.9Å; F91-F198 AromaticContact CD1-CE1 3.9Å; F91-F198 HydrophobicContact CD1-CE1 3.9Å; F91-F198 HydrophobicContact CD2-CE1 4.01Å; F91-F198 AromaticContact CG-CE1 3.61Å; F91-F198 HydrophobicContact CG-CE1 3.61Å; F91-F198 HydrophobicContact CG-CZ 4.3Å; F91-I226 HydrophobicContact CD2-CG2 4.43Å; F91-I226 HydrophobicContact CE2-CB 4.15Å; F91-I226 HydrophobicContact CE2-CG2 3.55Å; F91-I226 HydrophobicContact CZ-CB 3.99Å; F91-I226 HydrophobicContact CZ-CG2 3.6Å; F91-R231 HydrophobicContact CD1-CB 4.19Å; F91-R231 HydrophobicContact CE1-CB 4.1Å; F91-R231 WeakPolarHBondContact CE1-O 3.4Å; F91-F233 HydrophobicContact CE2-CB 4.28Å; F91-F233 HydrophobicContact CZ-CB 3.69Å
92	M	94.5	Very high	97.9	Very high	60 Å²	60	10.1 Å²	10.1	30%	0.296	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-37.4	178.9	-177.8	-177.7	64.2	0	0	114	G76 I344	G76-M92 PolarHBondContact O-N 2.94Å; M92-I344 HydrophobicContact SD-CD1 3.96Å
93	K	96	Very high	97.8	Very high	88 Å²	88	11.1 Å²	11.1	38%	0.383	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	40	-179.6	-64.8	-175.4	-178.2	175.2	0	111.6	F91 S192 V194 F198	F91-K93 PolarHBondContact O-N 3Å; K93-S192 WeakPolarHBondContact O-CB 3.35Å; K93-S192 PolarHBondContact O-OG 3.45Å; K93-V194 HydrophobicContact CB-CG2 4.03Å; K93-F198 WeakPolarHBondContact O-CE2 3.07Å
94	G	97.8	Very high	97.7	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	141	173.3	0	0	0	0	0	112.9	F91 D131	F91-G94 WeakPolarHBondContact CA-O 3.48Å; F91-G94 WeakPolarHBondContact CB-O 3.27Å; F91-G94 PolarHBondContact N-O 3.4Å; F91-G94 PolarHBondContact O-N 2.78Å; G94-D131 VanDerWaalsContact CA-OD2 3.25Å; G94-D131 WeakPolarHBondContact CA-OD2 3.41Å
95	T	98.6	Very high	97.4	Very high	19 Å²	19	17.1 Å²	17.1	12%	0.117	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	-177.8	-59	0	0	0	0	110.1	L88 N90 E129 I130 D131 G132	L88-T95 HydrophobicContact CD1-CG2 3.58Å; L88-T95 HydrophobicContact CG-CG2 4.18Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.34Å; T95-E129 WeakPolarHBondContact CB-O 3.47Å; T95-E129 WeakPolarHBondContact CG2-O 3.27Å; T95-I130 HydrophobicContact CG2-CG1 4.24Å; T95-D131 PolarHBondContact N-OD2 3.47Å; T95-D131 PolarHBondContact O-N 3.29Å; T95-G132 PolarHBondContact O-N 2.86Å
96	F	98.8	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.6	-178.6	-60.4	-94.5	0	0	0	111.4	L88 V89 F91 G132 F162 F190 F198 I200 I226	L88-F96 CarbonylContact C-O 3.59Å; V89-F96 PolarHBondContact N-O 2.71Å; V89-F96 PolarHBondContact O-N 3.13Å; F91-F96 AromaticContact CD2-CD2 3.75Å; F91-F96 HydrophobicContact CD2-CD2 3.75Å; F91-F96 AromaticContact CD2-CE2 3.91Å; F91-F96 HydrophobicContact CD2-CE2 3.91Å; F91-F96 AromaticContact CE2-CD2 3.92Å; F91-F96 HydrophobicContact CE2-CD2 3.92Å; F91-F96 HydrophobicContact CE2-CE2 4.21Å; F96-G132 CarbonylContact C-O 3.57Å; F96-G132 WeakPolarHBondContact CA-O 3.42Å; F96-F162 HydrophobicContact CE1-CE2 4.31Å; F96-F190 AromaticContact CE1-CD1 3.98Å; F96-F190 HydrophobicContact CE1-CD1 3.98Å; F96-F190 AromaticContact CE1-CE1 3.91Å; F96-F190 HydrophobicContact CE1-CE1 3.91Å; F96-F190 AromaticContact CZ-CD1 3.95Å; F96-F190 HydrophobicContact CZ-CD1 3.95Å; F96-F190 AromaticContact CZ-CE1 3.97Å; F96-F190 HydrophobicContact CZ-CE1 3.97Å; F96-F198 AromaticContact CE2-CD1 3.86Å; F96-F198 HydrophobicContact CE2-CD1 3.86Å; F96-F198 HydrophobicContact CE2-CD2 4.25Å; F96-F198 AromaticContact CE2-CE1 3.78Å; F96-F198 HydrophobicContact CE2-CE1 3.78Å; F96-F198 HydrophobicContact CE2-CE2 4.18Å; F96-F198 HydrophobicContact CE2-CG 4.1Å; F96-F198 AromaticContact CE2-CZ 3.95Å; F96-F198 HydrophobicContact CE2-CZ 3.95Å; F96-F198 HydrophobicContact CZ-CB 4.29Å; F96-F198 AromaticContact CZ-CD1 3.97Å; F96-F198 HydrophobicContact CZ-CD1 3.97Å; F96-F198 AromaticContact CZ-CD2 3.87Å; F96-F198 HydrophobicContact CZ-CD2 3.87Å; F96-F198 HydrophobicContact CZ-CE1 4.29Å; F96-F198 HydrophobicContact CZ-CE2 4.2Å; F96-F198 AromaticContact CZ-CG 3.75Å; F96-F198 HydrophobicContact CZ-CG 3.75Å; F96-F198 HydrophobicContact CZ-CZ 4.39Å; F96-I200 HydrophobicContact CE1-CD1 3.8Å; F96-I200 HydrophobicContact CZ-CD1 4.11Å; F96-I226 HydrophobicContact CB-CD1 3.71Å; F96-I226 HydrophobicContact CD1-CD1 3.82Å; F96-I226 HydrophobicContact CD2-CD1 4.14Å; F96-I226 HydrophobicContact CD2-CG2 4.08Å; F96-I226 HydrophobicContact CE1-CD1 4.47Å; F96-I226 HydrophobicContact CE1-CG2 4.38Å; F96-I226 HydrophobicContact CE2-CG2 3.82Å; F96-I226 HydrophobicContact CG-CD1 3.62Å; F96-I226 HydrophobicContact CG-CG2 4.47Å; F96-I226 HydrophobicContact CZ-CG2 3.98Å
97	L	98.8	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.4	174.4	-169.3	64.8	0	0	0	109.5	L82 T86 V87 L88 P100 L127 I130 G132 V133 I134 L151	L82-L97 HydrophobicContact CD1-CD1 4.18Å; T86-L97 HydrophobicContact CG2-CD1 3.68Å; T86-L97 HydrophobicContact CG2-CG 4.26Å; V87-L97 WeakPolarHBondContact O-CA 3.42Å; L88-L97 HydrophobicContact CB-CD1 4.07Å; L88-L97 HydrophobicContact CD1-CD1 4.05Å; L97-P100 HydrophobicContact CD2-CB 3.52Å; L97-P100 HydrophobicContact CD2-CG 4.27Å; L97-P100 HydrophobicContact CG-CB 3.95Å; L97-L127 HydrophobicContact CD2-CD1 4.2Å; L97-I130 HydrophobicContact CB-CD1 4.29Å; L97-I130 HydrophobicContact CB-CG2 4.25Å; L97-I130 HydrophobicContact CD2-CD1 3.92Å; L97-G132 PolarHBondContact N-O 3Å; L97-V133 HydrophobicContact CB-CG2 4.06Å; L97-V133 CarbonylContact O-C 3.58Å; L97-V133 VanDerWaalsContact O-CA 3.28Å; L97-V133 WeakPolarHBondContact O-CA 3.43Å; L97-I134 PolarHBondContact O-N 2.84Å; L97-L151 HydrophobicContact CD2-CD1 4.42Å
98	T	98.9	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.8	177.3	67.6	0	0	0	0	110.2	S85 T86 V87 I134 F233 F235	S85-T98 PolarHBondContact O-OG1 3.03Å; T86-T98 VanDerWaalsContact CA-O 3.28Å; T86-T98 WeakPolarHBondContact CA-O 3.47Å; V87-T98 HydrophobicContact CB-CG2 4.44Å; V87-T98 PolarHBondContact N-OG1 3Å; V87-T98 PolarHBondContact O-N 3.25Å; T98-I134 HydrophobicContact CG2-CD1 3.68Å; T98-I134 HydrophobicContact CG2-CG1 3.74Å; T98-F233 HydrophobicContact CG2-CE1 3.85Å; T98-F233 HydrophobicContact CG2-CZ 4.15Å; T98-F235 HydrophobicContact CG2-CB 4.36Å; T98-F235 HydrophobicContact CG2-CD1 4.2Å; T98-F235 HydrophobicContact CG2-CD2 4.11Å; T98-F235 HydrophobicContact CG2-CE2 4.43Å; T98-F235 HydrophobicContact CG2-CG 3.98Å
99	D	98.8	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	30.1	64	170.2	-68.2	-10.6	0	0	0	114.4	T86 I101 I134 I135 S136 H142 F235	T86-D99 PolarHBondContact OG1-O 2.88Å; D99-I101 PolarHBondContact O-N 2.7Å; D99-I134 PolarHBondContact N-O 3.31Å; D99-I135 WeakPolarHBondContact OD1-CA 3.48Å; D99-S136 PolarHBondContact OD1-N 3.31Å; D99-S136 PolarHBondContact OD1-OG 2.85Å; D99-S136 WeakPolarHBondContact OD2-CB 3.1Å; D99-S136 PolarHBondContact OD2-OG 2.92Å; D99-H142 HydrophobicContact CB-CB 4.16Å; D99-H142 IonicContact OD2-CE1 3.91Å; D99-H142 IonicContact OD2-CG 2.71Å; D99-H142 IonicContact OD2-ND1 2.7Å; D99-H142 PolarHBondContact OD2-ND1 3.02Å; D99-F235 HydrophobicContact CB-CE1 4.44Å; D99-F235 HydrophobicContact CB-CZ 4.08Å; D99-F235 VanDerWaalsContact OD2-CE1 3.27Å; D99-F235 WeakPolarHBondContact OD2-CE1 3.42Å; D99-F235 WeakPolarHBondContact OD2-CZ 3.35Å
100	P	98.6	Very high	93.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.179	C	C	.	.			trans	-72.3	124	-168.6	30.5	-36.3	0	0	0	111.1	T86 L97 F102 V133 T147 L151	T86-P100 HydrophobicContact CG2-CB 4.43Å; T86-P100 WeakPolarHBondContact OG1-CA 3.47Å; L97-P100 HydrophobicContact CD2-CB 3.52Å; L97-P100 HydrophobicContact CD2-CG 4.27Å; L97-P100 HydrophobicContact CG-CB 3.95Å; P100-F102 HydrophobicContact CB-CE2 4.19Å; P100-V133 HydrophobicContact CG-CG1 3.87Å; P100-T147 HydrophobicContact CB-CG2 3.76Å; P100-T147 HydrophobicContact CG-CG2 4.19Å; P100-L151 HydrophobicContact CB-CD1 4.04Å; P100-L151 HydrophobicContact CG-CD1 3.73Å
101	I	97.4	Very high	92.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	21%	0.212	C	C	.	.			trans	-138.7	113.1	175.6	-175.7	167	0	0	0	112.6	H84 T86 D99 D141 D144 Y301	H84-I101 HydrophobicContact CB-CG2 4.18Å; T86-I101 PolarHBondContact OG1-N 3.42Å; D99-I101 PolarHBondContact O-N 2.7Å; I101-D141 HydrophobicContact CD1-CB 4.31Å; I101-D144 HydrophobicContact CB-CB 3.99Å; I101-D144 HydrophobicContact CD1-CB 4.23Å; I101-D144 HydrophobicContact CG1-CB 3.76Å; I101-Y301 HydrophobicContact CD1-CE1 4.5Å; I101-Y301 HydrophobicContact CD1-CE2 4.1Å; I101-Y301 HydrophobicContact CG1-CE2 4.46Å; I101-Y301 WeakPolarHBondContact CG1-OH 3.45Å; I101-Y301 HydrophobicContact CG2-CE2 4.08Å
102	F	97	Very high	91.8	Very high	19 Å²	19	41.2 Å²	41.2	8%	0.083	23%	0.226	C	C	.	.			trans	-114.7	-8.2	179.5	-65.8	-106.2	0	0	0	112.1	L82 T86 P100 I120 C122 V124 L127 D144 T147	L82-F102 HydrophobicContact CD1-CZ 4.04Å; T86-F102 HydrophobicContact CG2-CE2 4.29Å; P100-F102 HydrophobicContact CB-CE2 4.19Å; F102-I120 HydrophobicContact CB-CG2 4.35Å; F102-I120 HydrophobicContact CD1-CG2 3.77Å; F102-I120 WeakPolarHBondContact O-CD1 3.35Å; F102-C122 WeakPolarHBondContact CD1-O 3.2Å; F102-C122 WeakPolarHBondContact CE1-O 3.35Å; F102-V124 HydrophobicContact CD1-CG2 4.49Å; F102-V124 HydrophobicContact CD2-CG2 4.09Å; F102-V124 HydrophobicContact CE2-CG2 4.44Å; F102-V124 HydrophobicContact CG-CG2 4.12Å; F102-L127 HydrophobicContact CZ-CD1 4.07Å; F102-L127 HydrophobicContact CZ-CD2 4.24Å; F102-D144 PolarHBondContact N-OD2 2.85Å; F102-T147 WeakPolarHBondContact CB-OG1 3.48Å; F102-T147 HydrophobicContact CD2-CG2 3.52Å; F102-T147 HydrophobicContact CE2-CG2 4.12Å; F102-T147 HydrophobicContact CG-CG2 4.48Å; F102-T147 PolarHBondContact N-OG1 3.38Å
103	S	95.4	Very high	91.3	Very high	23 Å²	23	40.6 Å²	40.6	16%	0.161	24%	0.236	C	C	.	.			trans	-60.1	151.1	173.8	-75.7	0	0	0	0	113.4	S105 D144 Y301	S103-S105 VanDerWaalsContact C-N 3.29Å; S103-D144 WeakPolarHBondContact CB-OD1 3.36Å; S103-D144 VanDerWaalsContact CB-OD2 3.31Å; S103-D144 WeakPolarHBondContact CB-OD2 3.23Å; S103-D144 PolarHBondContact N-OD2 3.4Å; S103-D144 VanDerWaalsContact N-OD2 3.11Å; S103-D144 PolarHBondContact OG-OD1 3.39Å; S103-D144 PolarHBondContact OG-OD2 3.17Å; S103-Y301 PolarHBondContact O-OH 2.83Å
104	L	93.7	Very high	90.9	Very high	116 Å²	116	38 Å²	38	61%	0.607	23%	0.228	S	C	*	.	S	Bend	trans	-79.9	-10.5	174.5	-66.7	177.5	0	0	0	113.3	R116 I120	L104-R116 HydrophobicContact CD2-CB 4.31Å; L104-R116 PolarHBondContact O-N 3.36Å; L104-I120 HydrophobicContact CD2-CD1 3.82Å; L104-I120 HydrophobicContact CD2-CG1 3.99Å; L104-I120 HydrophobicContact CG-CD1 4.34Å
105	S	92.4	Very high	90.6	Very high	14 Å²	14	44.2 Å²	44.2	10%	0.098	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-144.9	141.8	179.3	-176.3	0	0	0	0	111.8	S103 S107 C112 P114	S103-S105 VanDerWaalsContact C-N 3.29Å; S105-S107 PolarHBondContact O-N 2.84Å; S105-C112 PolarHBondContact OG-O 2.97Å; S105-P114 VanDerWaalsContact CA-O 3.24Å; S105-P114 WeakPolarHBondContact CA-O 3.33Å; S105-P114 PolarHBondContact OG-O 2.84Å
106	C	90.3	Very high	90.4	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.068	25%	0.253	C	S	.	.	S	Bend	trans	-93.7	69.2	179.6	-52.4	0	0	0	0	110.6	P114 D141 Y301	C106-P114 HydrophobicContact CB-CB 4.24Å; C106-P114 HydrophobicContact CB-CG 4.36Å; C106-P114 PolarHBondContact N-O 2.81Å; C106-D141 HydrophobicContact CB-CB 3.79Å; C106-D141 VanDerWaalsContact SG-CB 3.58Å; C106-Y301 WeakPolarHBondContact SG-CD1 2.8Å; C106-Y301 WeakPolarHBondContact SG-CE1 3.38Å; C106-Y301 VanDerWaalsContact SG-CG 3.59Å
107	S	87.1	Confident	90.2	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	27%	0.268	C	S	.	.	S	Bend	trans	-160.4	152.8	-172.9	173.7	0	0	0	0	112.6	S105 L109 C112	S105-S107 PolarHBondContact O-N 2.84Å; S107-L109 WeakPolarHBondContact CB-O 3.2Å; S107-L109 PolarHBondContact O-N 2.9Å; S107-L109 PolarHBondContact OG-N 2.79Å; S107-L109 PolarHBondContact OG-O 2.7Å; S107-C112 WeakPolarHBondContact CB-O 3.47Å; S107-C112 PolarHBondContact OG-O 2.92Å; S107-C112 PolarHBondContact OG-SG 3.35Å
108	P	81.4	Confident	90	Very high	83 Å²	83	47.9 Å²	47.9	54%	0.539	27%	0.271	S	S	.	.	S	Bend	trans	-67.6	-19.5	170.4	29.1	-34.1	0	0	0	112.6	Y140	P108-Y140 HydrophobicContact CB-CE1 3.77Å; P108-Y140 VanDerWaalsContact CD-CZ 3.45Å; P108-Y140 HydrophobicContact CG-CE1 4.02Å; P108-Y140 HydrophobicContact CG-CE2 4.25Å
109	L	82.2	Confident	89.8	Confident	86 Å²	86	51 Å²	51	45%	0.45	29%	0.291	S	S	.	.	S	Bend	trans	-120.2	122.1	177.9	-59	170.7	0	0	0	108.9	S107 F111 C112	S107-L109 WeakPolarHBondContact CB-O 3.2Å; S107-L109 PolarHBondContact O-N 2.9Å; S107-L109 PolarHBondContact OG-N 2.79Å; S107-L109 PolarHBondContact OG-O 2.7Å; L109-F111 HydrophobicContact CB-CD1 4.38Å; L109-F111 HydrophobicContact CB-CE1 3.93Å; L109-F111 HydrophobicContact CB-CE2 4.15Å; L109-F111 HydrophobicContact CB-CZ 3.81Å; L109-F111 HydrophobicContact CD1-CE2 4.11Å; L109-F111 HydrophobicContact CD1-CZ 3.81Å; L109-F111 HydrophobicContact CD2-CE1 4.3Å; L109-F111 HydrophobicContact CD2-CZ 4.16Å; L109-F111 HydrophobicContact CG-CZ 4.15Å; L109-F111 PolarHBondContact O-N 3.04Å; L109-C112 PolarHBondContact O-N 2.6Å; L109-C112 VanDerWaalsContact O-N 3.11Å; L109-C112 VanDerWaalsContact O-O 3.08Å
110	P	72.6	Confident	89.6	Confident	105 Å²	105	54.3 Å²	54.3	68%	0.682	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.8	-169.1	26.5	-35.7	0	0	0	114.5
111	F	77	Confident	89.2	Confident	156 Å²	156	55.2 Å²	55.2	68%	0.684	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.2	-178.7	53.8	-97.4	0	0	0	113.8	L109	L109-F111 HydrophobicContact CB-CD1 4.38Å; L109-F111 HydrophobicContact CB-CE1 3.93Å; L109-F111 HydrophobicContact CB-CE2 4.15Å; L109-F111 HydrophobicContact CB-CZ 3.81Å; L109-F111 HydrophobicContact CD1-CE2 4.11Å; L109-F111 HydrophobicContact CD1-CZ 3.81Å; L109-F111 HydrophobicContact CD2-CE1 4.3Å; L109-F111 HydrophobicContact CD2-CZ 4.16Å; L109-F111 HydrophobicContact CG-CZ 4.15Å; L109-F111 PolarHBondContact O-N 3.04Å
112	C	81	Confident	89.2	Confident	54 Å²	54	55.5 Å²	55.5	37%	0.365	32%	0.316	S	S	.	.	S	Bend	trans	-127.5	158.9	175.8	75.6	0	0	0	0	111.1	S105 S107 L109	S105-C112 PolarHBondContact OG-O 2.97Å; S107-C112 WeakPolarHBondContact CB-O 3.47Å; S107-C112 PolarHBondContact OG-O 2.92Å; S107-C112 PolarHBondContact OG-SG 3.35Å; L109-C112 PolarHBondContact O-N 2.6Å; L109-C112 VanDerWaalsContact O-N 3.11Å; L109-C112 VanDerWaalsContact O-O 3.08Å
113	G	83.1	Confident	89.2	Confident	48 Å²	48	61.3 Å²	61.3	50%	0.495	34%	0.342	S	S	.	.	S	Bend	trans	90.9	-179.6	-179.8	0	0	0	0	0	114.5
114	P	88.6	Confident	89.3	Confident	32 Å²	32	60.6 Å²	60.6	21%	0.208	34%	0.337	C	S	.	.			trans	-57	140.5	179.9	-25.5	36	0	0	0	111.7	S105 C106 M303	S105-P114 VanDerWaalsContact CA-O 3.24Å; S105-P114 WeakPolarHBondContact CA-O 3.33Å; S105-P114 PolarHBondContact OG-O 2.84Å; C106-P114 HydrophobicContact CB-CB 4.24Å; C106-P114 HydrophobicContact CB-CG 4.36Å; C106-P114 PolarHBondContact N-O 2.81Å; P114-M303 HydrophobicContact CB-SD 3.57Å; P114-M303 VanDerWaalsContact CB-SD 3.57Å; P114-M303 HydrophobicContact CG-CE 4.3Å; P114-M303 HydrophobicContact CG-SD 3.66Å
115	K	91.8	Very high	89.5	Confident	134 Å²	134	59 Å²	59	58%	0.583	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-109.4	147.2	176.2	-66.8	-174.2	179.5	-178.4	0	110.3	Y301 E302	K115-Y301 WeakPolarHBondContact O-CA 3.33Å; K115-E302 PolarHBondContact O-N 2.84Å
116	R	94.5	Very high	89.8	Confident	25 Å²	25	63.4 Å²	63.4	9%	0.094	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-66.6	132.2	173.4	-157.2	-177.1	-176.7	128.7	10.3	109.6	L82 L104 S118 P119 T300 Y301	L82-R116 PolarHBondContact O-NH2 3.25Å; L104-R116 HydrophobicContact CD2-CB 4.31Å; L104-R116 PolarHBondContact O-N 3.36Å; R116-S118 WeakPolarHBondContact CD-O 3.43Å; R116-S118 VanDerWaalsContact CG-O 3.27Å; R116-S118 WeakPolarHBondContact CG-O 3.45Å; R116-S118 PolarHBondContact NE-O 2.78Å; R116-S118 PolarHBondContact NE-OG 3.18Å; R116-P119 PolarHBondContact NE-O 2.92Å; R116-P119 PolarHBondContact NH2-O 3.12Å; R116-T300 CarbonylContact C-O 3.48Å; R116-T300 VanDerWaalsContact CA-O 3.28Å; R116-T300 WeakPolarHBondContact CA-O 3.44Å; R116-T300 HydrophobicContact CG-CG2 4.34Å; R116-T300 VanDerWaalsContact CG-O 3.32Å; R116-T300 WeakPolarHBondContact CG-O 3.31Å; R116-Y301 VanDerWaalsContact CA-CD1 3.47Å; R116-Y301 HydrophobicContact CB-CD1 3.88Å; R116-Y301 HydrophobicContact CB-CE1 3.54Å; R116-Y301 HydrophobicContact CG-CD1 4.2Å; R116-Y301 HydrophobicContact CG-CE1 3.73Å
117	I	93.8	Very high	90.1	Very high	60 Å²	60	63 Å²	63	31%	0.308	35%	0.351	S	S	.	.			trans	-111.5	-3.4	178	58.9	171.8	0	0	0	112.5	L57 T300 E302 A309	L57-I117 HydrophobicContact CD1-CB 4.45Å; L57-I117 HydrophobicContact CD1-CD1 4.02Å; L57-I117 HydrophobicContact CD1-CG1 4.35Å; L57-I117 HydrophobicContact CD2-CD1 4.18Å; I117-T300 WeakPolarHBondContact CG1-O 3.44Å; I117-T300 PolarHBondContact N-O 3.06Å; I117-E302 HydrophobicContact CG2-CB 4.38Å; I117-A309 HydrophobicContact CD1-CB 3.66Å
118	S	94.2	Very high	90.6	Very high	10 Å²	10	63.1 Å²	63.1	7%	0.07	35%	0.351	C	S	.	.	S	Bend	trans	-110.2	158.9	169.9	69.6	0	0	0	0	111.2	Y60 R116 Q334	Y60-S118 VanDerWaalsContact CE1-CB 3.49Å; R116-S118 WeakPolarHBondContact CD-O 3.43Å; R116-S118 VanDerWaalsContact CG-O 3.27Å; R116-S118 WeakPolarHBondContact CG-O 3.45Å; R116-S118 PolarHBondContact NE-O 2.78Å; R116-S118 PolarHBondContact NE-OG 3.18Å; S118-Q334 PolarHBondContact OG-NE2 2.79Å; S118-Q334 PolarHBondContact OG-OE1 3.09Å
119	P	94.7	Very high	91.4	Very high	65 Å²	65	63.2 Å²	63.2	42%	0.422	35%	0.345	S	S	.	.			trans	-63.5	159.2	166.2	28.8	-34.4	0	0	0	111.1	Y60 R116 P121	Y60-P119 HydrophobicContact CD1-CG 4.05Å; Y60-P119 VanDerWaalsContact CD2-CD 3.41Å; Y60-P119 HydrophobicContact CD2-CG 3.51Å; Y60-P119 HydrophobicContact CE2-CG 4.02Å; Y60-P119 HydrophobicContact CG-CG 3.49Å; Y60-P119 VanDerWaalsContact CG-CG 3.49Å; R116-P119 PolarHBondContact NE-O 2.92Å; R116-P119 PolarHBondContact NH2-O 3.12Å; P119-P121 WeakPolarHBondContact O-CD 3.43Å
120	I	94.1	Very high	92.1	Very high	71 Å²	71	59.2 Å²	59.2	36%	0.364	32%	0.323	S	S	.	.			trans	-78.6	120.1	170.4	-48.9	170.2	0	0	0	107.6	F102 L104 C122	F102-I120 HydrophobicContact CB-CG2 4.35Å; F102-I120 HydrophobicContact CD1-CG2 3.77Å; F102-I120 WeakPolarHBondContact O-CD1 3.35Å; L104-I120 HydrophobicContact CD2-CD1 3.82Å; L104-I120 HydrophobicContact CD2-CG1 3.99Å; L104-I120 HydrophobicContact CG-CD1 4.34Å; I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 VanDerWaalsContact CG2-O 3.24Å; I120-C122 WeakPolarHBondContact CG2-O 3.29Å; I120-C122 PolarHBondContact O-N 3.24Å
121	P	92.1	Very high	93.4	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.123	29%	0.294	C	S	.	.	S	Bend	trans	-64.7	-30.4	-172.9	-27.1	35.5	0	0	0	114.8	P63 L82 P119 Q334	P63-P121 WeakPolarHBondContact CD-O 3.24Å; P63-P121 HydrophobicContact CG-CB 3.97Å; L82-P121 HydrophobicContact CB-CG 4.47Å; L82-P121 HydrophobicContact CD2-CB 4.1Å; L82-P121 VanDerWaalsContact O-CG 3.3Å; L82-P121 WeakPolarHBondContact O-CG 3.41Å; P119-P121 WeakPolarHBondContact O-CD 3.43Å; P121-Q334 HydrophobicContact CG-CB 4.24Å
122	C	96.5	Very high	94.4	Very high	10 Å²	10	47.2 Å²	47.2	7%	0.068	26%	0.261	C	S	.	.	S	Bend	trans	-162.1	163.3	178.2	60	0	0	0	0	109.5	P63 F65 F102 I120 E126	P63-C122 HydrophobicContact CG-CB 4.38Å; F65-C122 HydrophobicContact CE2-CB 4.4Å; F65-C122 HydrophobicContact CZ-CB 4.06Å; F102-C122 WeakPolarHBondContact CD1-O 3.2Å; F102-C122 WeakPolarHBondContact CE1-O 3.35Å; I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 VanDerWaalsContact CG2-O 3.24Å; I120-C122 WeakPolarHBondContact CG2-O 3.29Å; I120-C122 PolarHBondContact O-N 3.24Å; C122-E126 HydrophobicContact CB-CB 4.26Å
123	K	96.9	Very high	95.2	Very high	141 Å²	141	44.7 Å²	44.7	61%	0.613	24%	0.244	S	C	*	.			trans	-84.3	158.6	170.7	-62.6	172.3	-175.4	173.1	0	110.7	S125 E126	K123-S125 PolarHBondContact O-N 3.02Å; K123-S125 VanDerWaalsContact O-N 3.13Å; K123-E126 HydrophobicContact CB-CG 4.24Å; K123-E126 VanDerWaalsContact CB-OE2 3.28Å; K123-E126 WeakPolarHBondContact CB-OE2 3.45Å; K123-E126 WeakPolarHBondContact CG-OE2 3.15Å; K123-E126 PolarHBondContact N-OE2 3.39Å; K123-E126 WeakPolarHBondContact O-CB 3.36Å; K123-E126 PolarHBondContact O-N 2.99Å
124	V	98	Very high	96	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30	171.2	173.7	0	0	0	0	111.9	F102 E126 L127 T147 D150 L151 R154	F102-V124 HydrophobicContact CD1-CG2 4.49Å; F102-V124 HydrophobicContact CD2-CG2 4.09Å; F102-V124 HydrophobicContact CE2-CG2 4.44Å; F102-V124 HydrophobicContact CG-CG2 4.12Å; V124-E126 VanDerWaalsContact C-N 3.27Å; V124-E126 PolarHBondContact O-N 3.36Å; V124-L127 HydrophobicContact CG1-CD1 4.48Å; V124-T147 HydrophobicContact CG2-CG2 4.18Å; V124-D150 HydrophobicContact CB-CB 3.87Å; V124-D150 HydrophobicContact CG1-CB 3.73Å; V124-D150 HydrophobicContact CG2-CB 3.99Å; V124-L151 HydrophobicContact CG1-CD2 3.72Å; V124-L151 HydrophobicContact CG1-CG 3.98Å; V124-R154 WeakPolarHBondContact O-CD 3.47Å; V124-R154 PolarHBondContact O-NH1 3.19Å
125	S	97.6	Very high	96.5	Very high	82 Å²	82	40.9 Å²	40.9	57%	0.573	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	175.4	59.7	0	0	0	0	114.8	K123 R154	K123-S125 PolarHBondContact O-N 3.02Å; K123-S125 VanDerWaalsContact O-N 3.13Å; S125-R154 PolarHBondContact O-NH1 3.23Å
126	E	97.7	Very high	96.8	Very high	107 Å²	107	34.5 Å²	34.5	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.9	-176.1	-65.1	172.8	113.9	0	0	112.9	F65 C122 K123 V124	F65-E126 WeakPolarHBondContact CD2-O 3.45Å; F65-E126 WeakPolarHBondContact CE2-O 3.38Å; C122-E126 HydrophobicContact CB-CB 4.26Å; K123-E126 HydrophobicContact CB-CG 4.24Å; K123-E126 VanDerWaalsContact CB-OE2 3.28Å; K123-E126 WeakPolarHBondContact CB-OE2 3.45Å; K123-E126 WeakPolarHBondContact CG-OE2 3.15Å; K123-E126 PolarHBondContact N-OE2 3.39Å; K123-E126 WeakPolarHBondContact O-CB 3.36Å; K123-E126 PolarHBondContact O-N 2.99Å; V124-E126 VanDerWaalsContact C-N 3.27Å; V124-E126 PolarHBondContact O-N 3.36Å
127	L	98.3	Very high	97	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.178	C	C	.	.	S	Bend	trans	-55.2	153.5	175.7	-66.2	168.6	0	0	0	111.7	F65 L82 L97 F102 V124 I130 L151 R154	F65-L127 HydrophobicContact CE1-CD2 4.25Å; F65-L127 HydrophobicContact CZ-CD2 4.06Å; L82-L127 HydrophobicContact CD1-CD2 4.04Å; L97-L127 HydrophobicContact CD2-CD1 4.2Å; F102-L127 HydrophobicContact CZ-CD1 4.07Å; F102-L127 HydrophobicContact CZ-CD2 4.24Å; V124-L127 HydrophobicContact CG1-CD1 4.48Å; L127-I130 HydrophobicContact CB-CD1 4.1Å; L127-I130 HydrophobicContact CD1-CD1 3.86Å; L127-I130 HydrophobicContact CG-CD1 4.45Å; L127-L151 HydrophobicContact CD1-CD2 4.1Å; L127-R154 PolarHBondContact O-NH1 2.81Å; L127-R154 PolarHBondContact O-NH2 2.68Å
128	P	97.3	Very high	97.2	Very high	26 Å²	26	30.7 Å²	30.7	17%	0.169	17%	0.165	C	C	.	.			trans	-69.6	-177.6	168.2	31.5	-34.1	0	0	0	110.7	F65 L88 I130 F155	F65-P128 HydrophobicContact CB-CB 4.4Å; F65-P128 HydrophobicContact CB-CG 4.23Å; F65-P128 HydrophobicContact CD1-CG 4.22Å; F65-P128 HydrophobicContact CG-CG 4.26Å; L88-P128 HydrophobicContact CD1-CG 4.43Å; L88-P128 HydrophobicContact CD2-CG 3.75Å; P128-I130 PolarHBondContact O-N 2.97Å; P128-F155 WeakPolarHBondContact O-CZ 3.23Å
129	E	96.9	Very high	97.3	Very high	86 Å²	86	31.1 Å²	31.1	40%	0.402	17%	0.166	S	C	.	.			trans	-60.7	137.4	167	-68.2	-63.1	130.2	0	0	110.1	T95 R158	T95-E129 WeakPolarHBondContact CB-O 3.47Å; T95-E129 WeakPolarHBondContact CG2-O 3.27Å; E129-R158 IonicContact OE1-NH1 3.41Å; E129-R158 IonicContact OE2-CZ 3.47Å; E129-R158 IonicContact OE2-NH1 3.43Å; E129-R158 PolarHBondContact OE2-NH1 3.41Å; E129-R158 IonicContact OE2-NH2 2.69Å
130	I	98.1	Very high	97.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.156	C	C	.	.			trans	-124.5	126.6	-179.1	-62.3	165.7	0	0	0	107.5	L88 T95 L97 L127 P128 G132 V133 L151 F155 L159	L88-I130 HydrophobicContact CD1-CD1 4.28Å; L88-I130 HydrophobicContact CD1-CG1 4.14Å; T95-I130 HydrophobicContact CG2-CG1 4.24Å; L97-I130 HydrophobicContact CB-CD1 4.29Å; L97-I130 HydrophobicContact CB-CG2 4.25Å; L97-I130 HydrophobicContact CD2-CD1 3.92Å; L127-I130 HydrophobicContact CB-CD1 4.1Å; L127-I130 HydrophobicContact CD1-CD1 3.86Å; L127-I130 HydrophobicContact CG-CD1 4.45Å; P128-I130 PolarHBondContact O-N 2.97Å; I130-G132 WeakPolarHBondContact CG2-O 3.18Å; I130-V133 HydrophobicContact CG2-CG2 4.36Å; I130-L151 HydrophobicContact CD1-CD2 4.4Å; I130-F155 HydrophobicContact CD1-CE2 4.08Å; I130-F155 HydrophobicContact CD1-CZ 4.23Å; I130-F155 HydrophobicContact CG1-CZ 4.38Å; I130-L159 HydrophobicContact CB-CD1 4.19Å; I130-L159 HydrophobicContact CG2-CD1 3.72Å
131	D	98.4	Very high	97.5	Very high	10 Å²	10	28 Å²	28	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-83.2	-41.2	178	-63.4	-79.6	0	0	0	111.4	G94 T95 T160 F190 S192 Q193	G94-D131 VanDerWaalsContact CA-OD2 3.25Å; G94-D131 WeakPolarHBondContact CA-OD2 3.41Å; T95-D131 PolarHBondContact N-OD2 3.47Å; T95-D131 PolarHBondContact O-N 3.29Å; D131-T160 PolarHBondContact O-N 3.09Å; D131-F190 HydrophobicContact CB-CE1 3.85Å; D131-F190 HydrophobicContact CB-CZ 3.91Å; D131-S192 VanDerWaalsContact OD1-CB 3.31Å; D131-S192 WeakPolarHBondContact OD1-CB 3.42Å; D131-Q193 PolarHBondContact OD1-N 2.77Å
132	G	98.6	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.8	-173	0	0	0	0	0	114.4	T95 F96 L97 I130 T160	T95-G132 PolarHBondContact O-N 2.86Å; F96-G132 CarbonylContact C-O 3.57Å; F96-G132 WeakPolarHBondContact CA-O 3.42Å; L97-G132 PolarHBondContact N-O 3Å; I130-G132 WeakPolarHBondContact CG2-O 3.18Å; G132-T160 CarbonylContact C-O 3.58Å; G132-T160 VanDerWaalsContact CA-O 3.24Å; G132-T160 WeakPolarHBondContact CA-O 3.45Å
133	V	98.9	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	164.7	172.4	0	0	0	0	108.9	L97 P100 I130 I135 L151 L159 T160 W161 F162	L97-V133 HydrophobicContact CB-CG2 4.06Å; L97-V133 CarbonylContact O-C 3.58Å; L97-V133 VanDerWaalsContact O-CA 3.28Å; L97-V133 WeakPolarHBondContact O-CA 3.43Å; P100-V133 HydrophobicContact CG-CG1 3.87Å; I130-V133 HydrophobicContact CG2-CG2 4.36Å; V133-I135 HydrophobicContact CG1-CD1 3.83Å; V133-I135 HydrophobicContact CG1-CG1 4.31Å; V133-L151 HydrophobicContact CG2-CD1 4.35Å; V133-L159 HydrophobicContact CG2-CD1 3.92Å; V133-L159 HydrophobicContact CG2-CD2 4.18Å; V133-L159 HydrophobicContact CG2-CG 4.46Å; V133-T160 PolarHBondContact N-O 2.92Å; V133-W161 HydrophobicContact CB-CD2 4.23Å; V133-W161 HydrophobicContact CB-CE3 3.65Å; V133-W161 HydrophobicContact CB-CH2 4.44Å; V133-W161 HydrophobicContact CB-CZ3 3.8Å; V133-W161 HydrophobicContact CG1-CE3 3.56Å; V133-W161 HydrophobicContact CG1-CH2 4.31Å; V133-W161 HydrophobicContact CG1-CZ3 3.41Å; V133-W161 VanDerWaalsContact CG1-CZ3 3.41Å; V133-W161 HydrophobicContact CG2-CE3 4.38Å; V133-W161 HydrophobicContact CG2-CH2 4.34Å; V133-W161 HydrophobicContact CG2-CZ3 4.16Å; V133-F162 PolarHBondContact O-N 3.22Å
134	I	98.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	171.7	55.6	163.5	0	0	0	109.6	L97 T98 D99 F162 I200 W224 I226 F235	L97-I134 PolarHBondContact O-N 2.84Å; T98-I134 HydrophobicContact CG2-CD1 3.68Å; T98-I134 HydrophobicContact CG2-CG1 3.74Å; D99-I134 PolarHBondContact N-O 3.31Å; I134-F162 WeakPolarHBondContact CA-O 3.37Å; I134-F162 HydrophobicContact CG2-CB 3.82Å; I134-F162 HydrophobicContact CG2-CD2 3.98Å; I134-F162 HydrophobicContact CG2-CG 4.25Å; I134-I200 HydrophobicContact CG2-CG2 4.27Å; I134-W224 HydrophobicContact CB-CD2 4.28Å; I134-W224 HydrophobicContact CB-CG 4.08Å; I134-W224 HydrophobicContact CD1-CB 3.58Å; I134-W224 HydrophobicContact CD1-CG 3.84Å; I134-W224 HydrophobicContact CG2-CD2 4.29Å; I134-W224 HydrophobicContact CG2-CG 4.37Å; I134-I226 HydrophobicContact CD1-CD1 4.07Å; I134-I226 HydrophobicContact CD1-CG1 4.48Å; I134-I226 HydrophobicContact CG2-CD1 4.37Å; I134-F235 HydrophobicContact CD1-CB 3.84Å; I134-F235 HydrophobicContact CD1-CD1 3.69Å; I134-F235 HydrophobicContact CD1-CG 4.08Å; I134-F235 HydrophobicContact CG1-CD1 4.39Å
135	I	98.9	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.			trans	-108.7	124.3	176.5	-59.7	-60.2	0	0	0	108.8	D99 V133 H137 L143 W161 F162 V163 P164 L167 F171 W224	D99-I135 WeakPolarHBondContact OD1-CA 3.48Å; V133-I135 HydrophobicContact CG1-CD1 3.83Å; V133-I135 HydrophobicContact CG1-CG1 4.31Å; I135-H137 VanDerWaalsContact CG2-O 3.25Å; I135-H137 WeakPolarHBondContact CG2-O 3.47Å; I135-L143 HydrophobicContact CD1-CD1 4.05Å; I135-L143 HydrophobicContact CG1-CD1 4.21Å; I135-L143 HydrophobicContact CG2-CB 4.49Å; I135-L143 HydrophobicContact CG2-CD1 4.21Å; I135-W161 HydrophobicContact CD1-CZ3 4.28Å; I135-W161 HydrophobicContact CG1-CE3 4.33Å; I135-F162 PolarHBondContact N-O 3.18Å; I135-V163 HydrophobicContact CB-CG1 4.17Å; I135-V163 HydrophobicContact CG1-CG1 4.12Å; I135-P164 WeakPolarHBondContact O-CD 3.28Å; I135-L167 HydrophobicContact CG2-CD1 4.1Å; I135-F171 HydrophobicContact CG1-CZ 4.1Å; I135-W224 PolarHBondContact O-NE1 2.97Å
136	S	98.8	Very high	97.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.108	C	C	.	.			trans	-76.9	-41.6	178.4	63.8	0	0	0	0	112.6	D99 H142 W221 C222	D99-S136 PolarHBondContact OD1-N 3.31Å; D99-S136 PolarHBondContact OD1-OG 2.85Å; D99-S136 WeakPolarHBondContact OD2-CB 3.1Å; D99-S136 PolarHBondContact OD2-OG 2.92Å; S136-H142 PolarHBondContact OG-ND1 2.96Å; S136-W221 CarbonylContact O-C 3.48Å; S136-W221 VanDerWaalsContact O-CA 3.29Å; S136-W221 WeakPolarHBondContact O-CA 3.38Å; S136-C222 VanDerWaalsContact CB-O 3.28Å; S136-C222 WeakPolarHBondContact CB-O 3.42Å; S136-C222 PolarHBondContact O-N 3.46Å
137	H	98.6	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.085	C	C	.	.			trans	-166.8	-174.8	-178.9	67.6	-70.2	0	0	0	111.2	I135 H139 H142 H207 W221 D238	I135-H137 VanDerWaalsContact CG2-O 3.25Å; I135-H137 WeakPolarHBondContact CG2-O 3.47Å; H137-H139 AromaticContact CD2-CD2 3.96Å; H137-H139 AromaticContact CD2-CE1 3.66Å; H137-H139 AromaticContact CD2-CG 3.36Å; H137-H139 AromaticContact CD2-ND1 3.18Å; H137-H139 PolarHBondContact CD2-ND1 2.68Å; H137-H139 WeakPolarHBondContact NE2-CB 3.35Å; H137-H139 AromaticContact NE2-CE1 3.7Å; H137-H139 AromaticContact NE2-CG 3.3Å; H137-H139 VanDerWaalsContact NE2-CG 3.3Å; H137-H139 AromaticContact NE2-ND1 2.87Å; H137-H139 PolarHBondContact NE2-ND1 2.92Å; H137-H142 AromaticContact CE1-CD2 3.23Å; H137-H142 PolarHBondContact CE1-CD2 3.06Å; H137-H142 AromaticContact CE1-CE1 3.54Å; H137-H142 AromaticContact CE1-CG 3.2Å; H137-H142 AromaticContact CE1-ND1 3.4Å; H137-H142 PolarHBondContact CE1-ND1 3.05Å; H137-H142 AromaticContact CE1-NE2 3.5Å; H137-H142 PolarHBondContact CE1-NE2 3.44Å; H137-H142 AromaticContact ND1-CG 3.78Å; H137-H142 AromaticContact ND1-ND1 3.86Å; H137-H142 AromaticContact NE2-CD2 3.61Å; H137-H142 AromaticContact NE2-CG 3.87Å; H137-H207 AromaticContact CD2-CD2 3.44Å; H137-H207 PolarHBondContact CD2-CD2 2.89Å; H137-H207 VanDerWaalsContact CD2-CD2 3.44Å; H137-H207 AromaticContact CD2-NE2 3.61Å; H137-H207 AromaticContact CE1-CD2 3.66Å; H137-H207 AromaticContact CE1-NE2 3.6Å; H137-H207 AromaticContact CG-CD2 3.8Å; H137-H207 AromaticContact ND1-CD2 3.93Å; H137-H207 AromaticContact NE2-CD2 3.38Å; H137-H207 PolarHBondContact NE2-CD2 3.5Å; H137-H207 AromaticContact NE2-NE2 3.11Å; H137-H207 PolarHBondContact NE2-NE2 3.01Å; H137-H207 VanDerWaalsContact NE2-NE2 3.11Å; H137-W221 HydrophobicContact CB-CB 3.64Å; H137-D238 IonicContact CE1-OD2 3.75Å; H137-D238 PolarHBondContact CE1-OD2 3.36Å; H137-D238 IonicContact NE2-OD2 3.6Å
138	N	97.8	Very high	97.7	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.085	C	C	.	.			trans	-100.8	3.8	-163.5	85.5	-7.6	0	0	0	115.7	L143 L167 S209 M210 R211 S219	N138-L143 HydrophobicContact CB-CD2 4.31Å; N138-L167 HydrophobicContact CB-CD1 4.34Å; N138-L167 HydrophobicContact CB-CD2 3.72Å; N138-S209 WeakPolarHBondContact OD1-CA 3.39Å; N138-S209 VanDerWaalsContact OD1-CB 3.28Å; N138-S209 WeakPolarHBondContact OD1-CB 3.35Å; N138-M210 PolarHBondContact OD1-N 3.3Å; N138-R211 HydrophobicContact CB-CG 4.19Å; N138-R211 WeakPolarHBondContact O-CD 3.3Å; N138-R211 WeakPolarHBondContact O-CG 3.45Å; N138-R211 PolarHBondContact O-NH1 2.98Å; N138-S219 PolarHBondContact ND2-OG 3.24Å
139	H	97.1	Very high	97.7	Very high	20 Å²	20	21.9 Å²	21.9	9%	0.093	10%	0.102	C	C	.	.	S	Bend	trans	-62.1	155.1	178.6	-65.5	156.3	0	0	0	111.1	H137 D141 H142 L143 H207 W208	H137-H139 AromaticContact CD2-CD2 3.96Å; H137-H139 AromaticContact CD2-CE1 3.66Å; H137-H139 AromaticContact CD2-CG 3.36Å; H137-H139 AromaticContact CD2-ND1 3.18Å; H137-H139 PolarHBondContact CD2-ND1 2.68Å; H137-H139 WeakPolarHBondContact NE2-CB 3.35Å; H137-H139 AromaticContact NE2-CE1 3.7Å; H137-H139 AromaticContact NE2-CG 3.3Å; H137-H139 VanDerWaalsContact NE2-CG 3.3Å; H137-H139 AromaticContact NE2-ND1 2.87Å; H137-H139 PolarHBondContact NE2-ND1 2.92Å; H139-D141 WeakPolarHBondContact CB-OD1 3.39Å; H139-D141 PolarHBondContact O-N 3.35Å; H139-H142 PolarHBondContact O-N 2.97Å; H139-L143 PolarHBondContact O-N 3.39Å; H139-H207 AromaticContact CE1-CD2 3.92Å; H139-H207 AromaticContact CE1-CE1 3.8Å; H139-H207 AromaticContact CE1-NE2 3.3Å; H139-H207 PolarHBondContact CE1-NE2 3.06Å; H139-H207 VanDerWaalsContact CE1-NE2 3.3Å; H139-H207 AromaticContact ND1-NE2 3.33Å; H139-H207 PolarHBondContact ND1-NE2 2.8Å; H139-W208 AromaticContact CE1-CD2 3.84Å; H139-W208 AromaticContact CE1-CE2 3.6Å; H139-W208 AromaticContact CE1-CZ2 3.84Å; H139-W208 AromaticContact CE1-NE1 3.88Å; H139-W208 PolarHBondContact CE1-O 2.93Å; H139-W208 AromaticContact NE2-CD2 3.65Å; H139-W208 AromaticContact NE2-CE2 3.74Å; H139-W208 AromaticContact NE2-CE3 3.64Å; H139-W208 AromaticContact NE2-CH2 3.83Å; H139-W208 AromaticContact NE2-CZ2 3.84Å; H139-W208 AromaticContact NE2-CZ3 3.75Å; H139-W208 PolarHBondContact NE2-O 3.22Å
140	Y	96.3	Very high	97.7	Very high	58 Å²	58	22 Å²	22	23%	0.227	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	-172.8	-72.3	-76.9	0	0	0	113.7	P108 H142 R211	P108-Y140 HydrophobicContact CB-CE1 3.77Å; P108-Y140 VanDerWaalsContact CD-CZ 3.45Å; P108-Y140 HydrophobicContact CG-CE1 4.02Å; P108-Y140 HydrophobicContact CG-CE2 4.25Å; Y140-H142 VanDerWaalsContact C-N 3.34Å; Y140-R211 HydrophobicContact CE2-CB 4.26Å; Y140-R211 WeakPolarHBondContact CE2-O 3.44Å; Y140-R211 PolarHBondContact OH-O 3.39Å
141	D	96.2	Very high	97.7	Very high	12 Å²	12	22 Å²	22	6%	0.064	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7	177.7	59.5	-55.2	0	0	0	114	H84 I101 C106 H139 H297 M303	H84-D141 PolarHBondContact CD2-O 3.39Å; H84-D141 VanDerWaalsContact CD2-O 3.25Å; H84-D141 IonicContact CD2-OD2 3.48Å; H84-D141 IonicContact CE1-OD2 3.18Å; H84-D141 PolarHBondContact CE1-OD2 3.49Å; H84-D141 IonicContact NE2-OD2 3.98Å; H84-D141 PolarHBondContact NE2-OD2 3.49Å; I101-D141 HydrophobicContact CD1-CB 4.31Å; C106-D141 HydrophobicContact CB-CB 3.79Å; C106-D141 VanDerWaalsContact SG-CB 3.58Å; H139-D141 WeakPolarHBondContact CB-OD1 3.39Å; H139-D141 PolarHBondContact O-N 3.35Å; D141-H297 IonicContact OD2-NE2 3.45Å; D141-M303 HydrophobicContact CB-CE 3.84Å; D141-M303 HydrophobicContact CB-SD 4.35Å; D141-M303 WeakPolarHBondContact OD2-CE 3.31Å
142	H	98.3	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-23.2	176.7	-68.4	-105.7	0	0	0	113.5	H84 S85 D99 S136 H137 H139 Y140 D238 H297	H84-H142 AromaticContact NE2-NE2 3.61Å; S85-H142 PolarHBondContact OG-CE1 2.78Å; D99-H142 HydrophobicContact CB-CB 4.16Å; D99-H142 IonicContact OD2-CE1 3.91Å; D99-H142 IonicContact OD2-CG 2.71Å; D99-H142 IonicContact OD2-ND1 2.7Å; D99-H142 PolarHBondContact OD2-ND1 3.02Å; S136-H142 PolarHBondContact OG-ND1 2.96Å; H137-H142 AromaticContact CE1-CD2 3.23Å; H137-H142 PolarHBondContact CE1-CD2 3.06Å; H137-H142 AromaticContact CE1-CE1 3.54Å; H137-H142 AromaticContact CE1-CG 3.2Å; H137-H142 AromaticContact CE1-ND1 3.4Å; H137-H142 PolarHBondContact CE1-ND1 3.05Å; H137-H142 AromaticContact CE1-NE2 3.5Å; H137-H142 PolarHBondContact CE1-NE2 3.44Å; H137-H142 AromaticContact ND1-CG 3.78Å; H137-H142 AromaticContact ND1-ND1 3.86Å; H137-H142 AromaticContact NE2-CD2 3.61Å; H137-H142 AromaticContact NE2-CG 3.87Å; H139-H142 PolarHBondContact O-N 2.97Å; Y140-H142 VanDerWaalsContact C-N 3.34Å; H142-D238 IonicContact CD2-OD2 3.6Å; H142-D238 IonicContact CE1-OD1 3.67Å; H142-D238 IonicContact CE1-OD2 3.53Å; H142-D238 VanDerWaalsContact NE2-CG 3.33Å; H142-D238 IonicContact NE2-OD1 3.93Å; H142-D238 PolarHBondContact NE2-OD1 2.87Å; H142-D238 IonicContact NE2-OD2 3.96Å; H142-D238 PolarHBondContact NE2-OD2 2.83Å; H142-D238 VanDerWaalsContact NE2-OD2 3.11Å; H142-H297 AromaticContact NE2-CD2 3.94Å; H142-H297 AromaticContact NE2-NE2 3.79Å
143	L	97.9	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-128.1	81	176.7	-174.5	62	0	0	0	110.1	I135 N138 H139 V148 L167 W170 F171 R211	I135-L143 HydrophobicContact CD1-CD1 4.05Å; I135-L143 HydrophobicContact CG1-CD1 4.21Å; I135-L143 HydrophobicContact CG2-CB 4.49Å; I135-L143 HydrophobicContact CG2-CD1 4.21Å; N138-L143 HydrophobicContact CB-CD2 4.31Å; H139-L143 PolarHBondContact O-N 3.39Å; L143-V148 HydrophobicContact CD1-CG2 3.97Å; L143-L167 HydrophobicContact CD2-CD1 4.32Å; L143-L167 HydrophobicContact CD2-CD2 4.41Å; L143-W170 HydrophobicContact CD1-CE3 4.32Å; L143-W170 HydrophobicContact CD1-CH2 3.88Å; L143-W170 HydrophobicContact CD1-CZ3 3.66Å; L143-W170 HydrophobicContact CD2-CD2 4.06Å; L143-W170 HydrophobicContact CD2-CE3 3.98Å; L143-W170 HydrophobicContact CD2-CH2 4.18Å; L143-W170 HydrophobicContact CD2-CZ2 4.26Å; L143-W170 HydrophobicContact CD2-CZ3 4.04Å; L143-W170 HydrophobicContact CG-CE3 4.42Å; L143-W170 HydrophobicContact CG-CH2 3.83Å; L143-W170 HydrophobicContact CG-CZ2 4.17Å; L143-W170 HydrophobicContact CG-CZ3 3.97Å; L143-F171 HydrophobicContact CD1-CE2 3.98Å; L143-F171 HydrophobicContact CD1-CZ 3.63Å; L143-R211 PolarHBondContact O-NH1 2.63Å; L143-R211 PolarHBondContact O-NH2 2.99Å
144	D	96.4	Very high	97.5	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.048	16%	0.158	C	C	.	.			trans	-86.7	105	-175.5	179.1	26.2	0	0	0	111.7	I101 F102 S103 P146 T147 V148	I101-D144 HydrophobicContact CB-CB 3.99Å; I101-D144 HydrophobicContact CD1-CB 4.23Å; I101-D144 HydrophobicContact CG1-CB 3.76Å; F102-D144 PolarHBondContact N-OD2 2.85Å; S103-D144 WeakPolarHBondContact CB-OD1 3.36Å; S103-D144 VanDerWaalsContact CB-OD2 3.31Å; S103-D144 WeakPolarHBondContact CB-OD2 3.23Å; S103-D144 PolarHBondContact N-OD2 3.4Å; S103-D144 VanDerWaalsContact N-OD2 3.11Å; S103-D144 PolarHBondContact OG-OD1 3.39Å; S103-D144 PolarHBondContact OG-OD2 3.17Å; D144-P146 VanDerWaalsContact OD1-CD 3.25Å; D144-P146 WeakPolarHBondContact OD1-CD 3.41Å; D144-T147 PolarHBondContact O-N 2.96Å; D144-T147 VanDerWaalsContact O-N 3.16Å; D144-T147 VanDerWaalsContact OD2-CB 3.22Å; D144-T147 WeakPolarHBondContact OD2-CB 3.39Å; D144-T147 PolarHBondContact OD2-OG1 2.59Å; D144-V148 WeakPolarHBondContact O-CG2 3.35Å; D144-V148 PolarHBondContact O-N 2.81Å
145	L	96.4	Very high	97.4	Very high	47 Å²	47	31.8 Å²	31.8	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-47.5	-173.9	174.6	65	0	0	0	113.6	V148 R149 W170 L174	L145-V148 PolarHBondContact O-N 2.84Å; L145-R149 HydrophobicContact CD1-CG 4.18Å; L145-R149 WeakPolarHBondContact O-CG 3.49Å; L145-R149 PolarHBondContact O-N 3.15Å; L145-W170 HydrophobicContact CB-CH2 4.36Å; L145-W170 HydrophobicContact CB-CZ2 4.07Å; L145-W170 HydrophobicContact CD1-CH2 3.84Å; L145-W170 HydrophobicContact CD1-CZ2 3.72Å; L145-W170 HydrophobicContact CG-CZ2 4.42Å; L145-L174 HydrophobicContact CD1-CD1 3.96Å; L145-L174 HydrophobicContact CD1-CD2 3.63Å; L145-L174 HydrophobicContact CD1-CG 4.48Å
146	P	95.8	Very high	97.1	Very high	66 Å²	66	33 Å²	33	43%	0.429	17%	0.173	S	C	.	.	H	α-helix	trans	-49.1	-54.3	170.2	-30.6	32.5	0	0	0	113.6	D144 V148 R149 D150	D144-P146 VanDerWaalsContact OD1-CD 3.25Å; D144-P146 WeakPolarHBondContact OD1-CD 3.41Å; P146-V148 VanDerWaalsContact C-N 3.35Å; P146-V148 PolarHBondContact O-N 2.73Å; P146-R149 PolarHBondContact O-N 3.12Å; P146-D150 PolarHBondContact O-N 3.39Å
147	T	97.6	Very high	96.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-43.3	179.1	-67.8	0	0	0	0	112.2	P100 F102 V124 D144 R149 D150 L151	P100-T147 HydrophobicContact CB-CG2 3.76Å; P100-T147 HydrophobicContact CG-CG2 4.19Å; F102-T147 WeakPolarHBondContact CB-OG1 3.48Å; F102-T147 HydrophobicContact CD2-CG2 3.52Å; F102-T147 HydrophobicContact CE2-CG2 4.12Å; F102-T147 HydrophobicContact CG-CG2 4.48Å; F102-T147 PolarHBondContact N-OG1 3.38Å; V124-T147 HydrophobicContact CG2-CG2 4.18Å; D144-T147 PolarHBondContact O-N 2.96Å; D144-T147 VanDerWaalsContact O-N 3.16Å; D144-T147 VanDerWaalsContact OD2-CB 3.22Å; D144-T147 WeakPolarHBondContact OD2-CB 3.39Å; D144-T147 PolarHBondContact OD2-OG1 2.59Å; T147-R149 VanDerWaalsContact C-N 3.31Å; T147-R149 PolarHBondContact O-N 3.36Å; T147-D150 PolarHBondContact O-N 2.99Å; T147-L151 HydrophobicContact CG2-CD1 3.85Å; T147-L151 HydrophobicContact CG2-CG 4.32Å; T147-L151 WeakPolarHBondContact O-CB 3.41Å; T147-L151 WeakPolarHBondContact O-CG 3.25Å; T147-L151 PolarHBondContact O-N 3.47Å
148	V	97.9	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-43.7	177.7	171.2	0	0	0	0	110.8	L143 D144 L145 P146 L151 I152 W161 W170 F171 L174	L143-V148 HydrophobicContact CD1-CG2 3.97Å; D144-V148 WeakPolarHBondContact O-CG2 3.35Å; D144-V148 PolarHBondContact O-N 2.81Å; L145-V148 PolarHBondContact O-N 2.84Å; P146-V148 VanDerWaalsContact C-N 3.35Å; P146-V148 PolarHBondContact O-N 2.73Å; V148-L151 PolarHBondContact O-N 2.8Å; V148-I152 HydrophobicContact CG1-CD1 3.66Å; V148-I152 HydrophobicContact CG1-CG1 4.34Å; V148-I152 VanDerWaalsContact O-CG1 3.23Å; V148-I152 WeakPolarHBondContact O-CG1 3.2Å; V148-I152 PolarHBondContact O-N 2.82Å; V148-W161 HydrophobicContact CB-CH2 4.06Å; V148-W161 HydrophobicContact CG1-CH2 3.8Å; V148-W161 HydrophobicContact CG1-CZ2 4.01Å; V148-W161 HydrophobicContact CG1-CZ3 4.36Å; V148-W161 HydrophobicContact CG2-CH2 3.81Å; V148-W161 HydrophobicContact CG2-CZ3 3.95Å; V148-W170 HydrophobicContact CB-CH2 4.25Å; V148-W170 HydrophobicContact CB-CZ3 4.47Å; V148-W170 HydrophobicContact CG1-CH2 4.22Å; V148-W170 HydrophobicContact CG1-CZ3 4.01Å; V148-W170 HydrophobicContact CG2-CH2 4.13Å; V148-W170 HydrophobicContact CG2-CZ3 4.27Å; V148-F171 HydrophobicContact CG1-CD1 4.38Å; V148-F171 HydrophobicContact CG1-CE1 3.86Å; V148-L174 HydrophobicContact CG1-CD1 3.58Å
149	R	97.3	Very high	96.7	Very high	142 Å²	142	41.7 Å²	41.7	54%	0.536	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-42.6	176.8	-76.1	177.3	171.5	160.2	-1.7	112.3	L145 P146 T147 L151 I152 S153	L145-R149 HydrophobicContact CD1-CG 4.18Å; L145-R149 WeakPolarHBondContact O-CG 3.49Å; L145-R149 PolarHBondContact O-N 3.15Å; P146-R149 PolarHBondContact O-N 3.12Å; T147-R149 VanDerWaalsContact C-N 3.31Å; T147-R149 PolarHBondContact O-N 3.36Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 3.19Å; R149-I152 PolarHBondContact O-N 3.09Å; R149-S153 WeakPolarHBondContact O-CB 3.28Å; R149-S153 PolarHBondContact O-N 2.9Å
150	D	97.6	Very high	96.7	Very high	89 Å²	89	41.3 Å²	41.3	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-40.5	177.9	-70.2	-10	0	0	0	111.1	V124 P146 T147 S153 R154	V124-D150 HydrophobicContact CB-CB 3.87Å; V124-D150 HydrophobicContact CG1-CB 3.73Å; V124-D150 HydrophobicContact CG2-CB 3.99Å; P146-D150 PolarHBondContact O-N 3.39Å; T147-D150 PolarHBondContact O-N 2.99Å; D150-S153 PolarHBondContact O-N 3.27Å; D150-R154 VanDerWaalsContact O-CB 3.27Å; D150-R154 WeakPolarHBondContact O-CB 3.47Å; D150-R154 PolarHBondContact O-N 3.32Å
151	L	98.2	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-45.4	175.8	-73.5	169.9	0	0	0	111.9	L97 P100 V124 L127 I130 V133 T147 V148 R149 R154 F155 L159 W161	L97-L151 HydrophobicContact CD2-CD1 4.42Å; P100-L151 HydrophobicContact CB-CD1 4.04Å; P100-L151 HydrophobicContact CG-CD1 3.73Å; V124-L151 HydrophobicContact CG1-CD2 3.72Å; V124-L151 HydrophobicContact CG1-CG 3.98Å; L127-L151 HydrophobicContact CD1-CD2 4.1Å; I130-L151 HydrophobicContact CD1-CD2 4.4Å; V133-L151 HydrophobicContact CG2-CD1 4.35Å; T147-L151 HydrophobicContact CG2-CD1 3.85Å; T147-L151 HydrophobicContact CG2-CG 4.32Å; T147-L151 WeakPolarHBondContact O-CB 3.41Å; T147-L151 WeakPolarHBondContact O-CG 3.25Å; T147-L151 PolarHBondContact O-N 3.47Å; V148-L151 PolarHBondContact O-N 2.8Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 3.19Å; L151-R154 PolarHBondContact O-N 3.45Å; L151-F155 HydrophobicContact CD2-CD2 3.99Å; L151-F155 HydrophobicContact CD2-CE2 3.65Å; L151-F155 WeakPolarHBondContact O-CD2 3.37Å; L151-F155 PolarHBondContact O-N 3.23Å; L151-L159 HydrophobicContact CB-CD2 3.97Å; L151-W161 HydrophobicContact CB-CH2 4.08Å; L151-W161 HydrophobicContact CB-CZ2 3.94Å; L151-W161 HydrophobicContact CD1-CH2 3.69Å; L151-W161 HydrophobicContact CD1-CZ2 4.35Å
152	I	97.3	Very high	97	Very high	24 Å²	24	38.1 Å²	38.1	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-47.4	175.5	-67.7	164.6	0	0	0	110.3	V148 R149 R154 G156 W161 L174 V177	V148-I152 HydrophobicContact CG1-CD1 3.66Å; V148-I152 HydrophobicContact CG1-CG1 4.34Å; V148-I152 VanDerWaalsContact O-CG1 3.23Å; V148-I152 WeakPolarHBondContact O-CG1 3.2Å; V148-I152 PolarHBondContact O-N 2.82Å; R149-I152 PolarHBondContact O-N 3.09Å; I152-R154 PolarHBondContact O-N 2.92Å; I152-G156 VanDerWaalsContact O-CA 3.26Å; I152-G156 WeakPolarHBondContact O-CA 3.34Å; I152-G156 PolarHBondContact O-N 2.7Å; I152-W161 HydrophobicContact CG1-CZ2 4.06Å; I152-L174 HydrophobicContact CD1-CB 3.78Å; I152-L174 HydrophobicContact CD1-CD1 4.07Å; I152-V177 HydrophobicContact CB-CG1 4.46Å; I152-V177 HydrophobicContact CD1-CG1 3.53Å; I152-V177 HydrophobicContact CG1-CG1 3.64Å; I152-V177 HydrophobicContact CG2-CG1 3.96Å
153	S	96.8	Very high	97	Very high	106 Å²	106	38.1 Å²	38.1	74%	0.741	20%	0.202	S	C	*	.	H	α-helix	trans	-62.1	-33.7	179.8	-175.3	0	0	0	0	112.3	R149 D150	R149-S153 WeakPolarHBondContact O-CB 3.28Å; R149-S153 PolarHBondContact O-N 2.9Å; D150-S153 PolarHBondContact O-N 3.27Å
154	R	97	Very high	97	Very high	79 Å²	79	38.1 Å²	38.1	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-80.5	-48.4	-177.9	-178.7	174.8	-179.9	-165.6	-6.7	112.7	V124 S125 L127 D150 L151 I152	V124-R154 WeakPolarHBondContact O-CD 3.47Å; V124-R154 PolarHBondContact O-NH1 3.19Å; S125-R154 PolarHBondContact O-NH1 3.23Å; L127-R154 PolarHBondContact O-NH1 2.81Å; L127-R154 PolarHBondContact O-NH2 2.68Å; D150-R154 VanDerWaalsContact O-CB 3.27Å; D150-R154 WeakPolarHBondContact O-CB 3.47Å; D150-R154 PolarHBondContact O-N 3.32Å; L151-R154 PolarHBondContact O-N 3.45Å; I152-R154 PolarHBondContact O-N 2.92Å
155	F	96.4	Very high	97.1	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-101.5	-30.3	-169.8	-60.9	-67.4	0	0	0	112.7	P128 I130 L151 R158 L159	P128-F155 WeakPolarHBondContact O-CZ 3.23Å; I130-F155 HydrophobicContact CD1-CE2 4.08Å; I130-F155 HydrophobicContact CD1-CZ 4.23Å; I130-F155 HydrophobicContact CG1-CZ 4.38Å; L151-F155 HydrophobicContact CD2-CD2 3.99Å; L151-F155 HydrophobicContact CD2-CE2 3.65Å; L151-F155 WeakPolarHBondContact O-CD2 3.37Å; L151-F155 PolarHBondContact O-N 3.23Å; F155-R158 WeakPolarHBondContact O-CB 3.47Å; F155-L159 HydrophobicContact CB-CB 3.64Å; F155-L159 HydrophobicContact CB-CD2 4.35Å; F155-L159 HydrophobicContact CD2-CD2 4.13Å; F155-L159 HydrophobicContact CG-CB 4.45Å
156	G	94.5	Very high	97.1	Very high	26 Å²	26	38 Å²	38	27%	0.268	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	63.6	-145.5	-177.4	0	0	0	0	0	112.5	I152 R158 L159	I152-G156 VanDerWaalsContact O-CA 3.26Å; I152-G156 WeakPolarHBondContact O-CA 3.34Å; I152-G156 PolarHBondContact O-N 2.7Å; G156-R158 PolarHBondContact O-N 3.18Å; G156-R158 VanDerWaalsContact O-N 3.13Å; G156-L159 PolarHBondContact O-N 2.74Å; G156-L159 VanDerWaalsContact O-N 3.13Å
157	S	93.1	Very high	97.2	Very high	73 Å²	73	35 Å²	35	51%	0.51	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-65.6	-13	-177.9	56.5	0	0	0	0	115	L159 T178	S157-L159 VanDerWaalsContact C-N 3.27Å; S157-L159 PolarHBondContact O-N 2.98Å; S157-T178 PolarHBondContact O-OG1 2.72Å
158	R	94.7	Very high	97.1	Very high	114 Å²	114	39.9 Å²	39.9	43%	0.43	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-66.1	-27.3	172.5	-77	-168	-57.7	139	2.6	113	E129 F155 G156 Q193	E129-R158 IonicContact OE1-NH1 3.41Å; E129-R158 IonicContact OE2-CZ 3.47Å; E129-R158 IonicContact OE2-NH1 3.43Å; E129-R158 PolarHBondContact OE2-NH1 3.41Å; E129-R158 IonicContact OE2-NH2 2.69Å; F155-R158 WeakPolarHBondContact O-CB 3.47Å; G156-R158 PolarHBondContact O-N 3.18Å; G156-R158 VanDerWaalsContact O-N 3.13Å; R158-Q193 VanDerWaalsContact CB-NE2 3.29Å; R158-Q193 PolarHBondContact O-NE2 3.3Å
159	L	97.7	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-88.8	125.7	176.2	177.8	64.1	0	0	0	110.3	I130 V133 L151 F155 G156 S157 W161	I130-L159 HydrophobicContact CB-CD1 4.19Å; I130-L159 HydrophobicContact CG2-CD1 3.72Å; V133-L159 HydrophobicContact CG2-CD1 3.92Å; V133-L159 HydrophobicContact CG2-CD2 4.18Å; V133-L159 HydrophobicContact CG2-CG 4.46Å; L151-L159 HydrophobicContact CB-CD2 3.97Å; F155-L159 HydrophobicContact CB-CB 3.64Å; F155-L159 HydrophobicContact CB-CD2 4.35Å; F155-L159 HydrophobicContact CD2-CD2 4.13Å; F155-L159 HydrophobicContact CG-CB 4.45Å; G156-L159 PolarHBondContact O-N 2.74Å; G156-L159 VanDerWaalsContact O-N 3.13Å; S157-L159 VanDerWaalsContact C-N 3.27Å; S157-L159 PolarHBondContact O-N 2.98Å; L159-W161 HydrophobicContact CD2-CH2 4.45Å; L159-W161 HydrophobicContact CD2-CZ2 3.62Å
160	T	98.3	Very high	96.9	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.4	174.9	-61.1	0	0	0	0	111.1	D131 G132 V133 F162 T178 N180 F190	D131-T160 PolarHBondContact O-N 3.09Å; G132-T160 CarbonylContact C-O 3.58Å; G132-T160 VanDerWaalsContact CA-O 3.24Å; G132-T160 WeakPolarHBondContact CA-O 3.45Å; V133-T160 PolarHBondContact N-O 2.92Å; T160-F162 HydrophobicContact CG2-CD2 4.47Å; T160-F162 HydrophobicContact CG2-CE1 3.91Å; T160-F162 HydrophobicContact CG2-CE2 3.84Å; T160-F162 HydrophobicContact CG2-CZ 3.51Å; T160-T178 HydrophobicContact CG2-CG2 4.22Å; T160-N180 WeakPolarHBondContact CG2-ND2 3.44Å; T160-F190 HydrophobicContact CG2-CD2 4.4Å; T160-F190 HydrophobicContact CG2-CE2 4.1Å; T160-F190 WeakPolarHBondContact OG1-CE2 3.37Å
161	W	98.6	Very high	96.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.9	175	-61.1	83.1	0	0	0	110	V133 I135 V148 L151 I152 L159 V163 F171 T178 V179 N180	V133-W161 HydrophobicContact CB-CD2 4.23Å; V133-W161 HydrophobicContact CB-CE3 3.65Å; V133-W161 HydrophobicContact CB-CH2 4.44Å; V133-W161 HydrophobicContact CB-CZ3 3.8Å; V133-W161 HydrophobicContact CG1-CE3 3.56Å; V133-W161 HydrophobicContact CG1-CH2 4.31Å; V133-W161 HydrophobicContact CG1-CZ3 3.41Å; V133-W161 VanDerWaalsContact CG1-CZ3 3.41Å; V133-W161 HydrophobicContact CG2-CE3 4.38Å; V133-W161 HydrophobicContact CG2-CH2 4.34Å; V133-W161 HydrophobicContact CG2-CZ3 4.16Å; I135-W161 HydrophobicContact CD1-CZ3 4.28Å; I135-W161 HydrophobicContact CG1-CE3 4.33Å; V148-W161 HydrophobicContact CB-CH2 4.06Å; V148-W161 HydrophobicContact CG1-CH2 3.8Å; V148-W161 HydrophobicContact CG1-CZ2 4.01Å; V148-W161 HydrophobicContact CG1-CZ3 4.36Å; V148-W161 HydrophobicContact CG2-CH2 3.81Å; V148-W161 HydrophobicContact CG2-CZ3 3.95Å; L151-W161 HydrophobicContact CB-CH2 4.08Å; L151-W161 HydrophobicContact CB-CZ2 3.94Å; L151-W161 HydrophobicContact CD1-CH2 3.69Å; L151-W161 HydrophobicContact CD1-CZ2 4.35Å; I152-W161 HydrophobicContact CG1-CZ2 4.06Å; L159-W161 HydrophobicContact CD2-CH2 4.45Å; L159-W161 HydrophobicContact CD2-CZ2 3.62Å; W161-V163 HydrophobicContact CB-CG1 4.3Å; W161-F171 HydrophobicContact CB-CE1 4.37Å; W161-F171 HydrophobicContact CD2-CD1 4.04Å; W161-F171 AromaticContact CD2-CE1 3.41Å; W161-F171 HydrophobicContact CD2-CE1 3.41Å; W161-F171 VanDerWaalsContact CD2-CE1 3.41Å; W161-F171 HydrophobicContact CD2-CZ 4.16Å; W161-F171 AromaticContact CE2-CE1 3.97Å; W161-F171 HydrophobicContact CE3-CD1 4.31Å; W161-F171 AromaticContact CE3-CE1 3.26Å; W161-F171 HydrophobicContact CE3-CE1 3.26Å; W161-F171 AromaticContact CE3-CZ 3.61Å; W161-F171 HydrophobicContact CE3-CZ 3.61Å; W161-F171 HydrophobicContact CG-CD1 4.13Å; W161-F171 AromaticContact CG-CE1 3.91Å; W161-F171 HydrophobicContact CG-CE1 3.91Å; W161-F171 HydrophobicContact CH2-CE1 4.24Å; W161-F171 HydrophobicContact CZ2-CE1 4.37Å; W161-F171 AromaticContact CZ3-CE1 3.7Å; W161-F171 HydrophobicContact CZ3-CE1 3.7Å; W161-F171 HydrophobicContact CZ3-CZ 4.03Å; W161-T178 PolarHBondContact N-O 2.63Å; W161-V179 HydrophobicContact CB-CB 4.45Å; W161-V179 HydrophobicContact CB-CG1 4.36Å; W161-V179 HydrophobicContact CB-CG2 4.1Å; W161-V179 HydrophobicContact CG-CG2 4.48Å; W161-V179 WeakPolarHBondContact O-CA 2.96Å; W161-N180 PolarHBondContact O-N 3.23Å
162	F	98.8	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.8	172.1	-57.5	-80.8	0	0	0	108.3	F96 V133 I134 I135 T160 N180 I188 F190 I200 W224	F96-F162 HydrophobicContact CE1-CE2 4.31Å; V133-F162 PolarHBondContact O-N 3.22Å; I134-F162 WeakPolarHBondContact CA-O 3.37Å; I134-F162 HydrophobicContact CG2-CB 3.82Å; I134-F162 HydrophobicContact CG2-CD2 3.98Å; I134-F162 HydrophobicContact CG2-CG 4.25Å; I135-F162 PolarHBondContact N-O 3.18Å; T160-F162 HydrophobicContact CG2-CD2 4.47Å; T160-F162 HydrophobicContact CG2-CE1 3.91Å; T160-F162 HydrophobicContact CG2-CE2 3.84Å; T160-F162 HydrophobicContact CG2-CZ 3.51Å; F162-N180 WeakPolarHBondContact CA-O 3.04Å; F162-N180 HydrophobicContact CD1-CB 3.88Å; F162-N180 HydrophobicContact CE1-CB 4.18Å; F162-I188 HydrophobicContact CD1-CG2 4Å; F162-I188 HydrophobicContact CE1-CG2 3.7Å; F162-F190 HydrophobicContact CE1-CB 4.44Å; F162-F190 HydrophobicContact CE2-CG 4.48Å; F162-F190 HydrophobicContact CZ-CB 3.98Å; F162-F190 HydrophobicContact CZ-CD1 4.11Å; F162-F190 AromaticContact CZ-CD2 3.69Å; F162-F190 HydrophobicContact CZ-CD2 3.69Å; F162-F190 HydrophobicContact CZ-CE2 4.16Å; F162-F190 AromaticContact CZ-CG 3.65Å; F162-F190 HydrophobicContact CZ-CG 3.65Å; F162-I200 HydrophobicContact CB-CG2 4.2Å; F162-I200 HydrophobicContact CD1-CB 4.15Å; F162-I200 HydrophobicContact CD1-CG1 4.21Å; F162-I200 HydrophobicContact CD1-CG2 3.89Å; F162-I200 HydrophobicContact CD2-CG2 4.3Å; F162-I200 HydrophobicContact CE1-CB 4.17Å; F162-I200 HydrophobicContact CE1-CG1 3.81Å; F162-I200 HydrophobicContact CE1-CG2 4.36Å; F162-I200 HydrophobicContact CE2-CG1 4.13Å; F162-I200 HydrophobicContact CG-CG2 3.86Å; F162-I200 HydrophobicContact CZ-CG1 3.77Å; F162-W224 HydrophobicContact CB-CH2 4.14Å; F162-W224 HydrophobicContact CB-CZ3 4.32Å
163	V	98.8	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.6	-168.7	-53.6	0	0	0	0	111	I135 W161 L167 F171 V179 N180 E181 L182	I135-V163 HydrophobicContact CB-CG1 4.17Å; I135-V163 HydrophobicContact CG1-CG1 4.12Å; W161-V163 HydrophobicContact CB-CG1 4.3Å; V163-L167 HydrophobicContact CB-CB 4.01Å; V163-L167 HydrophobicContact CB-CD1 4.34Å; V163-L167 HydrophobicContact CG2-CB 3.91Å; V163-F171 HydrophobicContact CB-CE2 4.45Å; V163-F171 HydrophobicContact CG1-CD2 3.98Å; V163-F171 HydrophobicContact CG1-CE2 3.5Å; V163-F171 HydrophobicContact CG1-CZ 3.98Å; V163-V179 HydrophobicContact CG1-CG1 4.21Å; V163-V179 HydrophobicContact CG2-CG1 3.61Å; V163-N180 PolarHBondContact N-O 2.82Å; V163-E181 HydrophobicContact CG2-CB 4.11Å; V163-E181 HydrophobicContact CG2-CG 4.33Å; V163-E181 WeakPolarHBondContact O-CA 3.38Å; V163-L182 PolarHBondContact O-N 2.85Å
164	P	98.5	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	154.9	171.9	27	-37.5	0	0	0	111.5	I135 G166 L167 L182 L220	I135-P164 WeakPolarHBondContact O-CD 3.28Å; P164-G166 PolarHBondContact O-N 3.11Å; P164-L167 HydrophobicContact CG-CD1 3.75Å; P164-L167 HydrophobicContact CG-CG 4.37Å; P164-L167 PolarHBondContact O-N 2.96Å; P164-L182 CarbonylContact C-O 3.51Å; P164-L182 WeakPolarHBondContact CA-O 3.42Å; P164-L220 HydrophobicContact CB-CB 3.9Å; P164-L220 HydrophobicContact CB-CD2 4.49Å; P164-L220 HydrophobicContact CB-CG 4.2Å; P164-L220 WeakPolarHBondContact CB-O 3.23Å; P164-L220 VanDerWaalsContact CG-O 3.25Å; P164-L220 WeakPolarHBondContact CG-O 3.11Å
165	S	98.3	Very high	95.8	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	134.2	175.1	-53.9	0	0	0	0	114.1	E181 L182 T183 S219 L220	S165-E181 VanDerWaalsContact CA-CG 3.47Å; S165-L182 PolarHBondContact N-O 3.07Å; S165-L182 PolarHBondContact OG-O 3.42Å; S165-T183 WeakPolarHBondContact OG-CA 3.3Å; S165-T183 WeakPolarHBondContact OG-CB 3.43Å; S165-T183 PolarHBondContact OG-N 3.08Å; S165-T183 PolarHBondContact OG-OG1 2.89Å; S165-S219 CarbonylContact O-C 3.21Å; S165-S219 VanDerWaalsContact O-CA 3.27Å; S165-S219 WeakPolarHBondContact O-CA 3.25Å; S165-L220 PolarHBondContact O-N 3.29Å
166	G	97.1	Very high	95.5	Very high	34 Å²	34	43.4 Å²	43.4	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	6.2	179.1	0	0	0	0	0	115.1	P164 E181	P164-G166 PolarHBondContact O-N 3.11Å; G166-E181 WeakPolarHBondContact CA-OE2 3.03Å; G166-E181 VanDerWaalsContact N-CD 3.25Å; G166-E181 PolarHBondContact N-OE2 2.85Å
167	L	97.4	Very high	95.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	26%	0.261	C	S	.	.			trans	-106.4	-14.2	176.9	-70.1	-171.6	0	0	0	114.5	I135 N138 L143 V163 P164 S169 W170 F171 E181	I135-L167 HydrophobicContact CG2-CD1 4.1Å; N138-L167 HydrophobicContact CB-CD1 4.34Å; N138-L167 HydrophobicContact CB-CD2 3.72Å; L143-L167 HydrophobicContact CD2-CD1 4.32Å; L143-L167 HydrophobicContact CD2-CD2 4.41Å; V163-L167 HydrophobicContact CB-CB 4.01Å; V163-L167 HydrophobicContact CB-CD1 4.34Å; V163-L167 HydrophobicContact CG2-CB 3.91Å; P164-L167 HydrophobicContact CG-CD1 3.75Å; P164-L167 HydrophobicContact CG-CG 4.37Å; P164-L167 PolarHBondContact O-N 2.96Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.68Å; L167-W170 WeakPolarHBondContact O-CB 3.28Å; L167-W170 PolarHBondContact O-N 3.23Å; L167-F171 HydrophobicContact CB-CD2 4.49Å; L167-F171 WeakPolarHBondContact O-CD2 3.35Å; L167-F171 PolarHBondContact O-N 2.97Å; L167-E181 PolarHBondContact N-OE2 3.49Å
168	K	94.9	Very high	95.7	Very high	104 Å²	104	42.3 Å²	42.3	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-54	-45.6	-178.4	-173.5	170.7	-176.4	170.9	0	112.7	W170 F171 S172 E181	K168-W170 VanDerWaalsContact C-N 3.27Å; K168-W170 PolarHBondContact O-N 3.49Å; K168-F171 PolarHBondContact O-N 3.38Å; K168-S172 PolarHBondContact O-N 3.19Å; K168-S172 PolarHBondContact O-OG 3.34Å; K168-S172 VanDerWaalsContact O-OG 3.07Å; K168-E181 HydrophobicContact CB-CB 4.18Å; K168-E181 HydrophobicContact CB-CG 4.49Å; K168-E181 VanDerWaalsContact CB-OE2 3.29Å; K168-E181 WeakPolarHBondContact CB-OE2 3.29Å; K168-E181 HydrophobicContact CD-CB 4.49Å; K168-E181 PolarHBondContact N-OE2 2.95Å
169	S	93.8	Very high	95.8	Very high	93 Å²	93	37.6 Å²	37.6	65%	0.65	24%	0.236	S	C	*	.	H	α-helix	trans	-63.5	-32.7	179.6	59.8	0	0	0	0	113.2	L167 S173	L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.68Å; S169-S173 PolarHBondContact O-N 3.34Å
170	W	96.3	Very high	95.9	Very high	50 Å²	50	39.8 Å²	39.8	19%	0.189	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-45.4	176.1	-174.5	92	0	0	0	110.1	L143 L145 V148 L167 K168 S173 L174	L143-W170 HydrophobicContact CD1-CE3 4.32Å; L143-W170 HydrophobicContact CD1-CH2 3.88Å; L143-W170 HydrophobicContact CD1-CZ3 3.66Å; L143-W170 HydrophobicContact CD2-CD2 4.06Å; L143-W170 HydrophobicContact CD2-CE3 3.98Å; L143-W170 HydrophobicContact CD2-CH2 4.18Å; L143-W170 HydrophobicContact CD2-CZ2 4.26Å; L143-W170 HydrophobicContact CD2-CZ3 4.04Å; L143-W170 HydrophobicContact CG-CE3 4.42Å; L143-W170 HydrophobicContact CG-CH2 3.83Å; L143-W170 HydrophobicContact CG-CZ2 4.17Å; L143-W170 HydrophobicContact CG-CZ3 3.97Å; L145-W170 HydrophobicContact CB-CH2 4.36Å; L145-W170 HydrophobicContact CB-CZ2 4.07Å; L145-W170 HydrophobicContact CD1-CH2 3.84Å; L145-W170 HydrophobicContact CD1-CZ2 3.72Å; L145-W170 HydrophobicContact CG-CZ2 4.42Å; V148-W170 HydrophobicContact CB-CH2 4.25Å; V148-W170 HydrophobicContact CB-CZ3 4.47Å; V148-W170 HydrophobicContact CG1-CH2 4.22Å; V148-W170 HydrophobicContact CG1-CZ3 4.01Å; V148-W170 HydrophobicContact CG2-CH2 4.13Å; V148-W170 HydrophobicContact CG2-CZ3 4.27Å; L167-W170 WeakPolarHBondContact O-CB 3.28Å; L167-W170 PolarHBondContact O-N 3.23Å; K168-W170 VanDerWaalsContact C-N 3.27Å; K168-W170 PolarHBondContact O-N 3.49Å; W170-S173 PolarHBondContact O-N 3.4Å; W170-S173 PolarHBondContact O-OG 2.91Å; W170-L174 HydrophobicContact CE3-CD1 4Å; W170-L174 HydrophobicContact CH2-CD1 3.75Å; W170-L174 HydrophobicContact CZ2-CD1 4.45Å; W170-L174 HydrophobicContact CZ3-CD1 3.49Å; W170-L174 VanDerWaalsContact CZ3-CD1 3.49Å
171	F	96.2	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-42.7	177.1	-81.6	-88.3	0	0	0	113.3	I135 L143 V148 W161 V163 L167 K168 S173 L174 V177 V179	I135-F171 HydrophobicContact CG1-CZ 4.1Å; L143-F171 HydrophobicContact CD1-CE2 3.98Å; L143-F171 HydrophobicContact CD1-CZ 3.63Å; V148-F171 HydrophobicContact CG1-CD1 4.38Å; V148-F171 HydrophobicContact CG1-CE1 3.86Å; W161-F171 HydrophobicContact CB-CE1 4.37Å; W161-F171 HydrophobicContact CD2-CD1 4.04Å; W161-F171 AromaticContact CD2-CE1 3.41Å; W161-F171 HydrophobicContact CD2-CE1 3.41Å; W161-F171 VanDerWaalsContact CD2-CE1 3.41Å; W161-F171 HydrophobicContact CD2-CZ 4.16Å; W161-F171 AromaticContact CE2-CE1 3.97Å; W161-F171 HydrophobicContact CE3-CD1 4.31Å; W161-F171 AromaticContact CE3-CE1 3.26Å; W161-F171 HydrophobicContact CE3-CE1 3.26Å; W161-F171 AromaticContact CE3-CZ 3.61Å; W161-F171 HydrophobicContact CE3-CZ 3.61Å; W161-F171 HydrophobicContact CG-CD1 4.13Å; W161-F171 AromaticContact CG-CE1 3.91Å; W161-F171 HydrophobicContact CG-CE1 3.91Å; W161-F171 HydrophobicContact CH2-CE1 4.24Å; W161-F171 HydrophobicContact CZ2-CE1 4.37Å; W161-F171 AromaticContact CZ3-CE1 3.7Å; W161-F171 HydrophobicContact CZ3-CE1 3.7Å; W161-F171 HydrophobicContact CZ3-CZ 4.03Å; V163-F171 HydrophobicContact CB-CE2 4.45Å; V163-F171 HydrophobicContact CG1-CD2 3.98Å; V163-F171 HydrophobicContact CG1-CE2 3.5Å; V163-F171 HydrophobicContact CG1-CZ 3.98Å; L167-F171 HydrophobicContact CB-CD2 4.49Å; L167-F171 WeakPolarHBondContact O-CD2 3.35Å; L167-F171 PolarHBondContact O-N 2.97Å; K168-F171 PolarHBondContact O-N 3.38Å; F171-S173 PolarHBondContact O-N 2.88Å; F171-L174 WeakPolarHBondContact O-CB 3.27Å; F171-L174 PolarHBondContact O-N 3.25Å; F171-V177 HydrophobicContact CB-CG2 4.05Å; F171-V177 WeakPolarHBondContact O-CG2 3.01Å; F171-V179 HydrophobicContact CB-CB 4.49Å; F171-V179 HydrophobicContact CB-CG1 4.31Å; F171-V179 HydrophobicContact CB-CG2 3.5Å; F171-V179 HydrophobicContact CD1-CG2 4.2Å; F171-V179 HydrophobicContact CG-CG1 4.42Å; F171-V179 HydrophobicContact CG-CG2 3.94Å
172	S	91.8	Very high	95.8	Very high	72 Å²	72	43 Å²	43	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-22.7	178.1	-59.2	0	0	0	0	113.3	K168 L174	K168-S172 PolarHBondContact O-N 3.19Å; K168-S172 PolarHBondContact O-OG 3.34Å; K168-S172 VanDerWaalsContact O-OG 3.07Å; S172-L174 PolarHBondContact O-N 3.42Å
173	S	94.3	Very high	95.8	Very high	90 Å²	90	44.4 Å²	44.4	63%	0.629	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.6	174.8	78.7	0	0	0	0	114.3	S169 W170 F171	S169-S173 PolarHBondContact O-N 3.34Å; W170-S173 PolarHBondContact O-N 3.4Å; W170-S173 PolarHBondContact O-OG 2.91Å; F171-S173 PolarHBondContact O-N 2.88Å
174	L	95	Very high	95.8	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.178	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.3	-174.2	-55.8	-178.3	0	0	0	113.8	L145 V148 I152 W170 F171 S172	L145-L174 HydrophobicContact CD1-CD1 3.96Å; L145-L174 HydrophobicContact CD1-CD2 3.63Å; L145-L174 HydrophobicContact CD1-CG 4.48Å; V148-L174 HydrophobicContact CG1-CD1 3.58Å; I152-L174 HydrophobicContact CD1-CB 3.78Å; I152-L174 HydrophobicContact CD1-CD1 4.07Å; W170-L174 HydrophobicContact CE3-CD1 4Å; W170-L174 HydrophobicContact CH2-CD1 3.75Å; W170-L174 HydrophobicContact CZ2-CD1 4.45Å; W170-L174 HydrophobicContact CZ3-CD1 3.49Å; W170-L174 VanDerWaalsContact CZ3-CD1 3.49Å; F171-L174 WeakPolarHBondContact O-CB 3.27Å; F171-L174 PolarHBondContact O-N 3.25Å; S172-L174 PolarHBondContact O-N 3.42Å
175	G	88.2	Confident	95.7	Very high	46 Å²	46	47 Å²	47	47%	0.474	29%	0.285	S	S	.	.	S	Bend	trans	122.1	-158.8	179.6	0	0	0	0	0	112.5	V177	G175-V177 PolarHBondContact O-N 3Å
176	D	89.6	Confident	95.7	Very high	137 Å²	137	50.4 Å²	50.4	73%	0.733	30%	0.299	S	S	*	.	S	Bend	trans	-79.2	102.2	176.7	-172.7	24.5	0	0	0	110
177	V	94.9	Very high	95.7	Very high	22 Å²	22	53 Å²	53	13%	0.133	30%	0.301	C	S	.	.			trans	-131.8	133.4	-175.7	-69.2	0	0	0	0	111	I152 F171 G175 V179	I152-V177 HydrophobicContact CB-CG1 4.46Å; I152-V177 HydrophobicContact CD1-CG1 3.53Å; I152-V177 HydrophobicContact CG1-CG1 3.64Å; I152-V177 HydrophobicContact CG2-CG1 3.96Å; F171-V177 HydrophobicContact CB-CG2 4.05Å; F171-V177 WeakPolarHBondContact O-CG2 3.01Å; G175-V177 PolarHBondContact O-N 3Å; V177-V179 HydrophobicContact CB-CG2 4.02Å; V177-V179 HydrophobicContact CG2-CG2 3.59Å; V177-V179 PolarHBondContact O-N 3.4Å
178	T	96.3	Very high	95.8	Very high	54 Å²	54	55 Å²	55	33%	0.331	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	105.9	174.5	-52.9	0	0	0	0	109.2	S157 T160 W161	S157-T178 PolarHBondContact O-OG1 2.72Å; T160-T178 HydrophobicContact CG2-CG2 4.22Å; W161-T178 PolarHBondContact N-O 2.63Å
179	V	97.8	Very high	95.9	Very high	16 Å²	16	54.5 Å²	54.5	10%	0.097	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.5	-174.8	-175.5	0	0	0	0	110.5	W161 V163 F171 V177	W161-V179 HydrophobicContact CB-CB 4.45Å; W161-V179 HydrophobicContact CB-CG1 4.36Å; W161-V179 HydrophobicContact CB-CG2 4.1Å; W161-V179 HydrophobicContact CG-CG2 4.48Å; W161-V179 WeakPolarHBondContact O-CA 2.96Å; V163-V179 HydrophobicContact CG1-CG1 4.21Å; V163-V179 HydrophobicContact CG2-CG1 3.61Å; F171-V179 HydrophobicContact CB-CB 4.49Å; F171-V179 HydrophobicContact CB-CG1 4.31Å; F171-V179 HydrophobicContact CB-CG2 3.5Å; F171-V179 HydrophobicContact CD1-CG2 4.2Å; F171-V179 HydrophobicContact CG-CG1 4.42Å; F171-V179 HydrophobicContact CG-CG2 3.94Å; V177-V179 HydrophobicContact CB-CG2 4.02Å; V177-V179 HydrophobicContact CG2-CG2 3.59Å; V177-V179 PolarHBondContact O-N 3.4Å
180	N	98.2	Very high	96.2	Very high	45 Å²	45	51.2 Å²	51.2	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.6	171.4	-65.9	-67.7	0	0	0	108.9	T160 W161 F162 V163 I188	T160-N180 WeakPolarHBondContact CG2-ND2 3.44Å; W161-N180 PolarHBondContact O-N 3.23Å; F162-N180 WeakPolarHBondContact CA-O 3.04Å; F162-N180 HydrophobicContact CD1-CB 3.88Å; F162-N180 HydrophobicContact CE1-CB 4.18Å; V163-N180 PolarHBondContact N-O 2.82Å; N180-I188 HydrophobicContact CB-CD1 4.11Å; N180-I188 VanDerWaalsContact OD1-CD1 3.25Å; N180-I188 WeakPolarHBondContact OD1-CD1 3.37Å
181	E	98	Very high	96.2	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.2	178.3	-177.6	174	84	0	0	109.3	V163 S165 G166 L167 K168	V163-E181 HydrophobicContact CG2-CB 4.11Å; V163-E181 HydrophobicContact CG2-CG 4.33Å; V163-E181 WeakPolarHBondContact O-CA 3.38Å; S165-E181 VanDerWaalsContact CA-CG 3.47Å; G166-E181 WeakPolarHBondContact CA-OE2 3.03Å; G166-E181 VanDerWaalsContact N-CD 3.25Å; G166-E181 PolarHBondContact N-OE2 2.85Å; L167-E181 PolarHBondContact N-OE2 3.49Å; K168-E181 HydrophobicContact CB-CB 4.18Å; K168-E181 HydrophobicContact CB-CG 4.49Å; K168-E181 VanDerWaalsContact CB-OE2 3.29Å; K168-E181 WeakPolarHBondContact CB-OE2 3.29Å; K168-E181 HydrophobicContact CD-CB 4.49Å; K168-E181 PolarHBondContact N-OE2 2.95Å
182	L	98.5	Very high	96.3	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.9	-175.4	-64.3	166.8	0	0	0	110.9	V163 P164 S165 E186 I188 C202 W224	V163-L182 PolarHBondContact O-N 2.85Å; P164-L182 CarbonylContact C-O 3.51Å; P164-L182 WeakPolarHBondContact CA-O 3.42Å; S165-L182 PolarHBondContact N-O 3.07Å; S165-L182 PolarHBondContact OG-O 3.42Å; L182-E186 WeakPolarHBondContact CA-OE2 3.3Å; L182-E186 HydrophobicContact CB-CB 4.28Å; L182-E186 HydrophobicContact CD2-CB 3.86Å; L182-I188 HydrophobicContact CD1-CB 4.46Å; L182-I188 HydrophobicContact CD1-CG2 3.92Å; L182-I188 HydrophobicContact CD2-CB 4.45Å; L182-C202 HydrophobicContact CB-CB 3.6Å; L182-C202 HydrophobicContact CD1-CB 4.44Å; L182-C202 PolarHBondContact O-SG 3.42Å; L182-W224 HydrophobicContact CB-CH2 4.16Å; L182-W224 HydrophobicContact CB-CZ3 4.41Å; L182-W224 HydrophobicContact CD1-CH2 4.05Å; L182-W224 HydrophobicContact CD1-CZ3 3.72Å
183	T	97.9	Very high	96.4	Very high	29 Å²	29	55.8 Å²	55.8	18%	0.178	32%	0.316	C	S	.	.			trans	-97.7	169.9	167.2	-153.1	0	0	0	0	111.7	P14 S165 N185 E186 C202 L220	P14-T183 WeakPolarHBondContact CG-OG1 3.21Å; S165-T183 WeakPolarHBondContact OG-CA 3.3Å; S165-T183 WeakPolarHBondContact OG-CB 3.43Å; S165-T183 PolarHBondContact OG-N 3.08Å; S165-T183 PolarHBondContact OG-OG1 2.89Å; T183-N185 PolarHBondContact O-N 3.33Å; T183-E186 HydrophobicContact CG2-CG 3.75Å; T183-E186 PolarHBondContact N-OE2 3.05Å; T183-E186 WeakPolarHBondContact O-CB 3.46Å; T183-E186 PolarHBondContact O-N 3.22Å; T183-C202 VanDerWaalsContact C-SG 3.58Å; T183-C202 VanDerWaalsContact O-CB 3.25Å; T183-C202 WeakPolarHBondContact O-CB 3.5Å; T183-L220 WeakPolarHBondContact OG1-CD2 3.24Å
184	W	98.1	Very high	96.4	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	140.7	179.3	-57.1	-21.1	0	0	0	111.4	L12 P14 P24 W25 E186 C202 L203 P204 S205 L220 W221	L12-W184 CarbonylContact O-C 3.49Å; L12-W184 WeakPolarHBondContact O-CB 3.18Å; P14-W184 HydrophobicContact CB-CD2 4.08Å; P14-W184 HydrophobicContact CB-CE3 3.79Å; P14-W184 HydrophobicContact CB-CZ3 4Å; P14-W184 HydrophobicContact CG-CD2 4.42Å; P14-W184 HydrophobicContact CG-CE3 4.39Å; P24-W184 HydrophobicContact CG-CZ3 4.31Å; W25-W184 HydrophobicContact CH2-CE3 4.42Å; W25-W184 AromaticContact CH2-CZ3 3.79Å; W25-W184 HydrophobicContact CH2-CZ3 3.79Å; W25-W184 HydrophobicContact CZ2-CE3 4.24Å; W25-W184 HydrophobicContact CZ2-CH2 4.01Å; W25-W184 AromaticContact CZ2-CZ3 3.41Å; W25-W184 HydrophobicContact CZ2-CZ3 3.41Å; W25-W184 VanDerWaalsContact CZ2-CZ3 3.41Å; W184-E186 PolarHBondContact O-N 2.72Å; W184-C202 CarbonylContact C-O 3.57Å; W184-C202 WeakPolarHBondContact CA-O 3.45Å; W184-L203 VanDerWaalsContact CD1-O 3.27Å; W184-L203 PolarHBondContact NE1-O 2.7Å; W184-P204 HydrophobicContact CB-CG 4.2Å; W184-P204 HydrophobicContact CD2-CB 3.88Å; W184-P204 HydrophobicContact CD2-CG 4.02Å; W184-P204 HydrophobicContact CE3-CB 3.81Å; W184-P204 HydrophobicContact CE3-CG 3.95Å; W184-P204 HydrophobicContact CG-CB 4.39Å; W184-P204 HydrophobicContact CG-CG 4.17Å; W184-P204 HydrophobicContact CH2-CB 4.38Å; W184-P204 HydrophobicContact CZ2-CB 4.42Å; W184-P204 HydrophobicContact CZ3-CB 4.09Å; W184-S205 VanDerWaalsContact CH2-O 3.27Å; W184-S205 WeakPolarHBondContact CH2-O 3.5Å; W184-S205 WeakPolarHBondContact CZ2-O 3.3Å; W184-L220 HydrophobicContact CD2-CD1 4.46Å; W184-L220 HydrophobicContact CG-CD2 4.31Å; W184-L220 HydrophobicContact CZ2-CD1 4Å; W184-W221 VanDerWaalsContact CE2-O 3.32Å; W184-W221 AromaticContact CZ2-CD1 3.86Å; W184-W221 AromaticContact CZ2-NE1 3.68Å; W184-W221 WeakPolarHBondContact CZ2-O 3.38Å; W184-W221 PolarHBondContact NE1-O 3.17Å
185	N	96.6	Very high	96.4	Very high	52 Å²	52	57 Å²	57	28%	0.278	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-5.3	-173.6	-155.5	33.7	0	0	0	115.2	L12 H13 T183 C202	L12-N185 HydrophobicContact CB-CB 3.86Å; L12-N185 WeakPolarHBondContact O-CB 3.43Å; H13-N185 PolarHBondContact CE1-ND2 3.45Å; H13-N185 PolarHBondContact NE2-ND2 3.47Å; T183-N185 PolarHBondContact O-N 3.33Å; N185-C202 PolarHBondContact N-O 3.11Å
186	E	98	Very high	96.8	Very high	92 Å²	92	55 Å²	55	43%	0.43	31%	0.31	S	S	.	.			trans	-80.9	147	170.6	-65.3	-176.5	156.2	0	0	110.9	L182 T183 W184 C202	L182-E186 WeakPolarHBondContact CA-OE2 3.3Å; L182-E186 HydrophobicContact CB-CB 4.28Å; L182-E186 HydrophobicContact CD2-CB 3.86Å; T183-E186 HydrophobicContact CG2-CG 3.75Å; T183-E186 PolarHBondContact N-OE2 3.05Å; T183-E186 WeakPolarHBondContact O-CB 3.46Å; T183-E186 PolarHBondContact O-N 3.22Å; W184-E186 PolarHBondContact O-N 2.72Å; E186-C202 PolarHBondContact O-N 3.07Å
187	E	98.3	Very high	97.2	Very high	87 Å²	87	51 Å²	51	41%	0.407	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156	175.5	64.2	177.7	-128	0	0	111.8	R199 I200 V201	E187-R199 IonicContact OE1-CZ 3.5Å; E187-R199 IonicContact OE1-NE 3.11Å; E187-R199 PolarHBondContact OE1-NE 2.78Å; E187-R199 IonicContact OE1-NH2 3.19Å; E187-R199 PolarHBondContact OE1-NH2 2.84Å; E187-R199 IonicContact OE2-CZ 2.69Å; E187-R199 IonicContact OE2-NE 3.63Å; E187-R199 PolarHBondContact OE2-NE 3.31Å; E187-R199 IonicContact OE2-NH2 3.59Å; E187-R199 PolarHBondContact OE2-NH2 2.76Å; E187-I200 CarbonylContact C-O 3.53Å; E187-I200 WeakPolarHBondContact CA-O 3.44Å; E187-V201 HydrophobicContact CB-CB 4.24Å; E187-V201 HydrophobicContact CB-CG1 4.18Å; E187-V201 HydrophobicContact CB-CG2 3.87Å
188	I	98.7	Very high	97.3	Very high	46 Å²	46	50.4 Å²	50.4	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.4	173.8	-167.1	171.4	0	0	0	110.1	F162 N180 L182 I200	F162-I188 HydrophobicContact CD1-CG2 4Å; F162-I188 HydrophobicContact CE1-CG2 3.7Å; N180-I188 HydrophobicContact CB-CD1 4.11Å; N180-I188 VanDerWaalsContact OD1-CD1 3.25Å; N180-I188 WeakPolarHBondContact OD1-CD1 3.37Å; L182-I188 HydrophobicContact CD1-CB 4.46Å; L182-I188 HydrophobicContact CD1-CG2 3.92Å; L182-I188 HydrophobicContact CD2-CB 4.45Å; I188-I200 HydrophobicContact CG2-CB 4Å; I188-I200 HydrophobicContact CG2-CG1 4.46Å; I188-I200 PolarHBondContact N-O 2.92Å; I188-I200 PolarHBondContact O-N 2.84Å
189	S	98.5	Very high	97.5	Very high	94 Å²	94	52.4 Å²	52.4	66%	0.657	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.9	167	-58.3	0	0	0	0	109.8	F198	S189-F198 CarbonylContact C-O 3.47Å; S189-F198 WeakPolarHBondContact CA-O 3.31Å
190	F	98.5	Very high	97.5	Very high	25 Å²	25	51.7 Å²	51.7	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.6	-177.5	173.6	-109.8	0	0	0	110.3	F96 D131 T160 F162 F198 I200	F96-F190 AromaticContact CE1-CD1 3.98Å; F96-F190 HydrophobicContact CE1-CD1 3.98Å; F96-F190 AromaticContact CE1-CE1 3.91Å; F96-F190 HydrophobicContact CE1-CE1 3.91Å; F96-F190 AromaticContact CZ-CD1 3.95Å; F96-F190 HydrophobicContact CZ-CD1 3.95Å; F96-F190 AromaticContact CZ-CE1 3.97Å; F96-F190 HydrophobicContact CZ-CE1 3.97Å; D131-F190 HydrophobicContact CB-CE1 3.85Å; D131-F190 HydrophobicContact CB-CZ 3.91Å; T160-F190 HydrophobicContact CG2-CD2 4.4Å; T160-F190 HydrophobicContact CG2-CE2 4.1Å; T160-F190 WeakPolarHBondContact OG1-CE2 3.37Å; F162-F190 HydrophobicContact CE1-CB 4.44Å; F162-F190 HydrophobicContact CE2-CG 4.48Å; F162-F190 HydrophobicContact CZ-CB 3.98Å; F162-F190 HydrophobicContact CZ-CD1 4.11Å; F162-F190 AromaticContact CZ-CD2 3.69Å; F162-F190 HydrophobicContact CZ-CD2 3.69Å; F162-F190 HydrophobicContact CZ-CE2 4.16Å; F162-F190 AromaticContact CZ-CG 3.65Å; F162-F190 HydrophobicContact CZ-CG 3.65Å; F190-F198 HydrophobicContact CD1-CB 4.43Å; F190-F198 HydrophobicContact CD1-CD2 4.16Å; F190-F198 PolarHBondContact N-O 3.47Å; F190-F198 PolarHBondContact O-N 2.89Å; F190-I200 HydrophobicContact CB-CG1 4.06Å
191	N	98.1	Very high	97.5	Very high	115 Å²	115	49.5 Å²	49.5	62%	0.615	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.6	173.3	-66.1	-41	0	0	0	109.1	G196	N191-G196 CarbonylContact C-O 3.49Å; N191-G196 VanDerWaalsContact CA-O 3.31Å; N191-G196 WeakPolarHBondContact CA-O 3.2Å
192	S	97.2	Very high	97.6	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	26%	0.258	C	S	.	.			trans	-70.8	167	173.8	69.1	0	0	0	0	111.8	K93 D131 V194 G195 G196	K93-S192 WeakPolarHBondContact O-CB 3.35Å; K93-S192 PolarHBondContact O-OG 3.45Å; D131-S192 VanDerWaalsContact OD1-CB 3.31Å; D131-S192 WeakPolarHBondContact OD1-CB 3.42Å; S192-V194 PolarHBondContact O-N 3.18Å; S192-G195 PolarHBondContact O-N 3.44Å; S192-G195 PolarHBondContact OG-N 3.05Å; S192-G196 PolarHBondContact N-O 3.16Å; S192-G196 WeakPolarHBondContact OG-CA 3.47Å; S192-G196 PolarHBondContact OG-N 3.4Å; S192-G196 PolarHBondContact OG-O 2.82Å
193	Q	93.9	Very high	97.6	Very high	93 Å²	93	45.5 Å²	45.5	44%	0.435	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.1	178.6	-63.6	177.3	20.7	0	0	113.1	D131 R158	D131-Q193 PolarHBondContact OD1-N 2.77Å; R158-Q193 VanDerWaalsContact CB-NE2 3.29Å; R158-Q193 PolarHBondContact O-NE2 3.3Å
194	V	93.7	Very high	97.6	Very high	99 Å²	99	44.1 Å²	44.1	60%	0.6	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	17.3	-179.7	-63.8	0	0	0	0	112.9	K93 S192	K93-V194 HydrophobicContact CB-CG2 4.03Å; S192-V194 PolarHBondContact O-N 3.18Å
195	G	94.7	Very high	97.5	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	25%	0.246	S	C	.	.	S	Bend	trans	77	30.1	170.4	0	0	0	0	0	114.9	S192	S192-G195 PolarHBondContact O-N 3.44Å; S192-G195 PolarHBondContact OG-N 3.05Å
196	G	96.9	Very high	97.5	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	23%	0.234	C	C	.	.			trans	-90.4	138.2	166.5	0	0	0	0	0	111	N191 S192 F198	N191-G196 CarbonylContact C-O 3.49Å; N191-G196 VanDerWaalsContact CA-O 3.31Å; N191-G196 WeakPolarHBondContact CA-O 3.2Å; S192-G196 PolarHBondContact N-O 3.16Å; S192-G196 WeakPolarHBondContact OG-CA 3.47Å; S192-G196 PolarHBondContact OG-N 3.4Å; S192-G196 PolarHBondContact OG-O 2.82Å; G196-F198 WeakPolarHBondContact O-CD2 3.25Å; G196-F198 WeakPolarHBondContact O-CE2 3.43Å
197	S	97.9	Very high	97.5	Very high	55 Å²	55	37.5 Å²	37.5	39%	0.385	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.3	176.1	176.9	0	0	0	0	111
198	F	98.7	Very high	97.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.035	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.8	-177.4	-58.6	-87.2	0	0	0	111.4	F91 K93 F96 S189 F190 G196 I200 I226 I227	F91-F198 HydrophobicContact CB-CE1 3.7Å; F91-F198 HydrophobicContact CB-CZ 3.9Å; F91-F198 AromaticContact CD1-CE1 3.9Å; F91-F198 HydrophobicContact CD1-CE1 3.9Å; F91-F198 HydrophobicContact CD2-CE1 4.01Å; F91-F198 AromaticContact CG-CE1 3.61Å; F91-F198 HydrophobicContact CG-CE1 3.61Å; F91-F198 HydrophobicContact CG-CZ 4.3Å; K93-F198 WeakPolarHBondContact O-CE2 3.07Å; F96-F198 AromaticContact CE2-CD1 3.86Å; F96-F198 HydrophobicContact CE2-CD1 3.86Å; F96-F198 HydrophobicContact CE2-CD2 4.25Å; F96-F198 AromaticContact CE2-CE1 3.78Å; F96-F198 HydrophobicContact CE2-CE1 3.78Å; F96-F198 HydrophobicContact CE2-CE2 4.18Å; F96-F198 HydrophobicContact CE2-CG 4.1Å; F96-F198 AromaticContact CE2-CZ 3.95Å; F96-F198 HydrophobicContact CE2-CZ 3.95Å; F96-F198 HydrophobicContact CZ-CB 4.29Å; F96-F198 AromaticContact CZ-CD1 3.97Å; F96-F198 HydrophobicContact CZ-CD1 3.97Å; F96-F198 AromaticContact CZ-CD2 3.87Å; F96-F198 HydrophobicContact CZ-CD2 3.87Å; F96-F198 HydrophobicContact CZ-CE1 4.29Å; F96-F198 HydrophobicContact CZ-CE2 4.2Å; F96-F198 AromaticContact CZ-CG 3.75Å; F96-F198 HydrophobicContact CZ-CG 3.75Å; F96-F198 HydrophobicContact CZ-CZ 4.39Å; S189-F198 CarbonylContact C-O 3.47Å; S189-F198 WeakPolarHBondContact CA-O 3.31Å; F190-F198 HydrophobicContact CD1-CB 4.43Å; F190-F198 HydrophobicContact CD1-CD2 4.16Å; F190-F198 PolarHBondContact N-O 3.47Å; F190-F198 PolarHBondContact O-N 2.89Å; G196-F198 WeakPolarHBondContact O-CD2 3.25Å; G196-F198 WeakPolarHBondContact O-CE2 3.43Å; F198-I200 HydrophobicContact CB-CD1 4.03Å; F198-I226 HydrophobicContact CD1-CG2 4.03Å; F198-I227 CarbonylContact C-O 3.44Å; F198-I227 WeakPolarHBondContact CA-O 3.5Å
199	R	98.7	Very high	97.3	Very high	97 Å²	97	34.2 Å²	34.2	37%	0.366	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.9	159.6	-74.8	165.5	59.7	-150.4	-3.5	108.2	E187 I227	E187-R199 IonicContact OE1-CZ 3.5Å; E187-R199 IonicContact OE1-NE 3.11Å; E187-R199 PolarHBondContact OE1-NE 2.78Å; E187-R199 IonicContact OE1-NH2 3.19Å; E187-R199 PolarHBondContact OE1-NH2 2.84Å; E187-R199 IonicContact OE2-CZ 2.69Å; E187-R199 IonicContact OE2-NE 3.63Å; E187-R199 PolarHBondContact OE2-NE 3.31Å; E187-R199 IonicContact OE2-NH2 3.59Å; E187-R199 PolarHBondContact OE2-NH2 2.76Å; R199-I227 HydrophobicContact CB-CB 4.19Å; R199-I227 PolarHBondContact N-O 2.69Å; R199-I227 PolarHBondContact O-N 2.71Å
200	I	98.8	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.9	174.5	-46.4	-58.4	0	0	0	107.2	F96 I134 F162 E187 I188 F190 F198 W224 I226	F96-I200 HydrophobicContact CE1-CD1 3.8Å; F96-I200 HydrophobicContact CZ-CD1 4.11Å; I134-I200 HydrophobicContact CG2-CG2 4.27Å; F162-I200 HydrophobicContact CB-CG2 4.2Å; F162-I200 HydrophobicContact CD1-CB 4.15Å; F162-I200 HydrophobicContact CD1-CG1 4.21Å; F162-I200 HydrophobicContact CD1-CG2 3.89Å; F162-I200 HydrophobicContact CD2-CG2 4.3Å; F162-I200 HydrophobicContact CE1-CB 4.17Å; F162-I200 HydrophobicContact CE1-CG1 3.81Å; F162-I200 HydrophobicContact CE1-CG2 4.36Å; F162-I200 HydrophobicContact CE2-CG1 4.13Å; F162-I200 HydrophobicContact CG-CG2 3.86Å; F162-I200 HydrophobicContact CZ-CG1 3.77Å; E187-I200 CarbonylContact C-O 3.53Å; E187-I200 WeakPolarHBondContact CA-O 3.44Å; I188-I200 HydrophobicContact CG2-CB 4Å; I188-I200 HydrophobicContact CG2-CG1 4.46Å; I188-I200 PolarHBondContact N-O 2.92Å; I188-I200 PolarHBondContact O-N 2.84Å; F190-I200 HydrophobicContact CB-CG1 4.06Å; F198-I200 HydrophobicContact CB-CD1 4.03Å; I200-W224 HydrophobicContact CG2-CE3 3.86Å; I200-W224 HydrophobicContact CG2-CZ3 3.98Å; I200-I226 HydrophobicContact CD1-CB 4.3Å; I200-I226 HydrophobicContact CD1-CG1 4.11Å; I200-I226 HydrophobicContact CD1-CG2 3.79Å
201	V	98.8	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.5	-174	-167.2	0	0	0	0	109.4	E187 L203 W224 A225 I227	E187-V201 HydrophobicContact CB-CB 4.24Å; E187-V201 HydrophobicContact CB-CG1 4.18Å; E187-V201 HydrophobicContact CB-CG2 3.87Å; V201-L203 HydrophobicContact CB-CD2 4.37Å; V201-L203 HydrophobicContact CB-CG 4.35Å; V201-L203 HydrophobicContact CG1-CD2 3.6Å; V201-L203 HydrophobicContact CG1-CG 4.04Å; V201-W224 WeakPolarHBondContact O-CA 3.48Å; V201-W224 VanDerWaalsContact O-CE3 3.31Å; V201-A225 HydrophobicContact CB-CB 4.21Å; V201-A225 HydrophobicContact CG2-CB 4.46Å; V201-A225 PolarHBondContact N-O 2.87Å; V201-A225 PolarHBondContact O-N 2.87Å; V201-I227 HydrophobicContact CG2-CD1 4.07Å
202	C	98.8	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.7	172.8	-176.8	0	0	0	0	108.8	L182 T183 W184 N185 E186 C222 W224	L182-C202 HydrophobicContact CB-CB 3.6Å; L182-C202 HydrophobicContact CD1-CB 4.44Å; L182-C202 PolarHBondContact O-SG 3.42Å; T183-C202 VanDerWaalsContact C-SG 3.58Å; T183-C202 VanDerWaalsContact O-CB 3.25Å; T183-C202 WeakPolarHBondContact O-CB 3.5Å; W184-C202 CarbonylContact C-O 3.57Å; W184-C202 WeakPolarHBondContact CA-O 3.45Å; N185-C202 PolarHBondContact N-O 3.11Å; E186-C202 PolarHBondContact O-N 3.07Å; C202-C222 WeakPolarHBondContact SG-CB 3.45Å; C202-C222 VanDerWaalsContact SG-SG 3.63Å; C202-W224 HydrophobicContact CB-CE3 4.08Å; C202-W224 HydrophobicContact CB-CH2 3.76Å; C202-W224 HydrophobicContact CB-CZ3 3.49Å; C202-W224 VanDerWaalsContact CB-CZ3 3.49Å
203	L	98.6	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.3	-168.7	-65.7	174.1	0	0	0	111.6	W184 V201 C222 S223 A225 F234 V248	W184-L203 VanDerWaalsContact CD1-O 3.27Å; W184-L203 PolarHBondContact NE1-O 2.7Å; V201-L203 HydrophobicContact CB-CD2 4.37Å; V201-L203 HydrophobicContact CB-CG 4.35Å; V201-L203 HydrophobicContact CG1-CD2 3.6Å; V201-L203 HydrophobicContact CG1-CG 4.04Å; L203-C222 CarbonylContact O-C 3.41Å; L203-C222 WeakPolarHBondContact O-CA 3.33Å; L203-C222 WeakPolarHBondContact O-CB 3.26Å; L203-S223 WeakPolarHBondContact CB-OG 3.23Å; L203-S223 PolarHBondContact N-O 3.38Å; L203-S223 PolarHBondContact O-N 3.5Å; L203-S223 PolarHBondContact O-OG 3.23Å; L203-A225 HydrophobicContact CD1-CB 3.54Å; L203-F234 HydrophobicContact CD1-CD2 4.19Å; L203-F234 HydrophobicContact CD1-CE2 4.11Å; L203-V248 HydrophobicContact CB-CG2 4.36Å; L203-V248 HydrophobicContact CD1-CG1 3.74Å; L203-V248 HydrophobicContact CD1-CG2 4.43Å; L203-V248 HydrophobicContact CD2-CG2 4.22Å
204	P	97.8	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.			trans	-63.3	147.6	-179.3	-24.2	34.5	0	0	0	114.9	L11 L12 W25 W184 S223 A244	L11-P204 WeakPolarHBondContact O-CG 3.27Å; L12-P204 HydrophobicContact CB-CG 4.48Å; L12-P204 HydrophobicContact CD2-CG 3.86Å; W25-P204 HydrophobicContact CZ2-CB 4.25Å; W184-P204 HydrophobicContact CB-CG 4.2Å; W184-P204 HydrophobicContact CD2-CB 3.88Å; W184-P204 HydrophobicContact CD2-CG 4.02Å; W184-P204 HydrophobicContact CE3-CB 3.81Å; W184-P204 HydrophobicContact CE3-CG 3.95Å; W184-P204 HydrophobicContact CG-CB 4.39Å; W184-P204 HydrophobicContact CG-CG 4.17Å; W184-P204 HydrophobicContact CH2-CB 4.38Å; W184-P204 HydrophobicContact CZ2-CB 4.42Å; W184-P204 HydrophobicContact CZ3-CB 4.09Å; P204-S223 PolarHBondContact O-OG 2.89Å; P204-A244 HydrophobicContact CB-CB 3.73Å; P204-A244 HydrophobicContact CG-CB 3.99Å
205	S	97.4	Very high	96.1	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.183	C	C	.	.			trans	-143.5	161.3	161.9	60.3	0	0	0	0	109.3	W184 W221 C222	W184-S205 VanDerWaalsContact CH2-O 3.27Å; W184-S205 WeakPolarHBondContact CH2-O 3.5Å; W184-S205 WeakPolarHBondContact CZ2-O 3.3Å; S205-W221 PolarHBondContact O-NE1 3.13Å; S205-C222 VanDerWaalsContact OG-C 3.27Å; S205-C222 VanDerWaalsContact OG-CA 3.3Å; S205-C222 WeakPolarHBondContact OG-CA 3.46Å; S205-C222 PolarHBondContact OG-N 3.42Å
206	Q	96.5	Very high	96.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-103.3	92.6	176	-172.1	-176.7	-85.7	0	0	109.8	N23 S27 T239 G240 Y241 C242 Y273	N23-Q206 HydrophobicContact CB-CG 4.41Å; N23-Q206 WeakPolarHBondContact OD1-CA 3.33Å; S27-Q206 PolarHBondContact OG-OE1 3Å; Q206-T239 PolarHBondContact N-OG1 3.5Å; Q206-T239 CarbonylContact O-C 3.44Å; Q206-T239 WeakPolarHBondContact O-CA 3.45Å; Q206-G240 PolarHBondContact O-N 2.55Å; Q206-Y241 PolarHBondContact OE1-O 3.46Å; Q206-C242 HydrophobicContact CB-CB 4.04Å; Q206-Y273 PolarHBondContact NE2-O 3.01Å
207	H	96.7	Very high	96	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	18%	0.182	C	C	.	.			trans	-147.5	-154.3	-178.4	-159.1	37.3	0	0	0	111.6	N23 H137 H139 W221 D238 Q274	N23-H207 PolarHBondContact ND2-O 2.53Å; N23-H207 PolarHBondContact OD1-N 3.42Å; H137-H207 AromaticContact CD2-CD2 3.44Å; H137-H207 PolarHBondContact CD2-CD2 2.89Å; H137-H207 VanDerWaalsContact CD2-CD2 3.44Å; H137-H207 AromaticContact CD2-NE2 3.61Å; H137-H207 AromaticContact CE1-CD2 3.66Å; H137-H207 AromaticContact CE1-NE2 3.6Å; H137-H207 AromaticContact CG-CD2 3.8Å; H137-H207 AromaticContact ND1-CD2 3.93Å; H137-H207 AromaticContact NE2-CD2 3.38Å; H137-H207 PolarHBondContact NE2-CD2 3.5Å; H137-H207 AromaticContact NE2-NE2 3.11Å; H137-H207 PolarHBondContact NE2-NE2 3.01Å; H137-H207 VanDerWaalsContact NE2-NE2 3.11Å; H139-H207 AromaticContact CE1-CD2 3.92Å; H139-H207 AromaticContact CE1-CE1 3.8Å; H139-H207 AromaticContact CE1-NE2 3.3Å; H139-H207 PolarHBondContact CE1-NE2 3.06Å; H139-H207 VanDerWaalsContact CE1-NE2 3.3Å; H139-H207 AromaticContact ND1-NE2 3.33Å; H139-H207 PolarHBondContact ND1-NE2 2.8Å; H207-W221 HydrophobicContact CB-CB 4.08Å; H207-W221 HydrophobicContact CB-CD2 4.41Å; H207-W221 HydrophobicContact CB-CG 3.74Å; H207-W221 VanDerWaalsContact N-CD1 3.33Å; H207-W221 VanDerWaalsContact N-NE1 3.13Å; H207-W221 WeakPolarHBondContact O-CZ2 3.44Å; H207-W221 PolarHBondContact O-NE1 3Å; H207-D238 VanDerWaalsContact CD2-CB 3.46Å; H207-D238 WeakPolarHBondContact CD2-CB 3.33Å; H207-D238 IonicContact CE1-OD2 2.6Å; H207-D238 WeakPolarHBondContact NE2-CB 3.14Å; H207-D238 IonicContact NE2-OD2 2.79Å; H207-D238 PolarHBondContact NE2-OD2 3.46Å; H207-Q274 WeakPolarHBondContact ND1-CB 3.48Å; H207-Q274 PolarHBondContact ND1-O 2.68Å
208	W	95.9	Very high	96	Very high	64 Å²	64	42.3 Å²	42.3	24%	0.242	19%	0.191	C	C	.	.			trans	-154.3	178.5	176.8	60.1	-72.2	0	0	0	109.8	M31 H139 M210 W221	M31-W208 HydrophobicContact CE-CD2 3.81Å; M31-W208 HydrophobicContact CE-CE3 3.77Å; M31-W208 HydrophobicContact CE-CG 4.39Å; M31-W208 HydrophobicContact CE-CH2 4.22Å; M31-W208 HydrophobicContact CE-CZ2 4.26Å; M31-W208 HydrophobicContact CE-CZ3 3.96Å; M31-W208 HydrophobicContact SD-CB 4.48Å; M31-W208 HydrophobicContact SD-CD2 4.24Å; M31-W208 HydrophobicContact SD-CE3 4.5Å; M31-W208 HydrophobicContact SD-CG 4.22Å; H139-W208 AromaticContact CE1-CD2 3.84Å; H139-W208 AromaticContact CE1-CE2 3.6Å; H139-W208 AromaticContact CE1-CZ2 3.84Å; H139-W208 AromaticContact CE1-NE1 3.88Å; H139-W208 PolarHBondContact CE1-O 2.93Å; H139-W208 AromaticContact NE2-CD2 3.65Å; H139-W208 AromaticContact NE2-CE2 3.74Å; H139-W208 AromaticContact NE2-CE3 3.64Å; H139-W208 AromaticContact NE2-CH2 3.83Å; H139-W208 AromaticContact NE2-CZ2 3.84Å; H139-W208 AromaticContact NE2-CZ3 3.75Å; H139-W208 PolarHBondContact NE2-O 3.22Å; W208-M210 HydrophobicContact CE3-CB 4Å; W208-M210 HydrophobicContact CH2-CB 4.45Å; W208-M210 HydrophobicContact CZ3-CB 3.46Å; W208-M210 VanDerWaalsContact CZ3-CB 3.46Å; W208-M210 HydrophobicContact CZ3-CG 4.34Å; W208-M210 HydrophobicContact CZ3-SD 3.99Å; W208-W221 VanDerWaalsContact CA-CZ3 3.47Å; W208-W221 HydrophobicContact CB-CZ3 4.38Å
209	S	96.9	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.			trans	-142.6	143.8	179.2	74	0	0	0	0	111.6	N138 R216 N217 S219	N138-S209 WeakPolarHBondContact OD1-CA 3.39Å; N138-S209 VanDerWaalsContact OD1-CB 3.28Å; N138-S209 WeakPolarHBondContact OD1-CB 3.35Å; S209-R216 CarbonylContact O-C 2.99Å; S209-R216 WeakPolarHBondContact O-CA 3.35Å; S209-N217 PolarHBondContact N-OD1 3.42Å; S209-N217 PolarHBondContact O-N 2.94Å; S209-N217 PolarHBondContact O-OD1 2.75Å; S209-N217 VanDerWaalsContact OG-CA 3.28Å; S209-N217 WeakPolarHBondContact OG-CA 3.47Å; S209-N217 PolarHBondContact OG-N 2.77Å; S209-S219 WeakPolarHBondContact CB-O 3.45Å; S209-S219 PolarHBondContact OG-O 3.5Å; S209-S219 PolarHBondContact OG-OG 3.13Å
210	M	94.9	Very high	95.9	Very high	41 Å²	41	37.4 Å²	37.4	20%	0.202	17%	0.173	C	C	.	.			trans	-173.4	131.7	175	-169.4	172.3	172.9	0	0	111.1	N138 W208 S212 R216	N138-M210 PolarHBondContact OD1-N 3.3Å; W208-M210 HydrophobicContact CE3-CB 4Å; W208-M210 HydrophobicContact CH2-CB 4.45Å; W208-M210 HydrophobicContact CZ3-CB 3.46Å; W208-M210 VanDerWaalsContact CZ3-CB 3.46Å; W208-M210 HydrophobicContact CZ3-CG 4.34Å; W208-M210 HydrophobicContact CZ3-SD 3.99Å; M210-S212 WeakPolarHBondContact CE-O 2.97Å; M210-S212 WeakPolarHBondContact CG-O 3.48Å; M210-R216 HydrophobicContact CB-CB 4.49Å; M210-R216 HydrophobicContact CG-CB 4.18Å; M210-R216 HydrophobicContact SD-CB 4.15Å; M210-R216 HydrophobicContact SD-CG 4.3Å; M210-R216 PolarHBondContact SD-NE 3.19Å; M210-R216 VanDerWaalsContact SD-NE 3.44Å
211	R	93.7	Very high	95.9	Very high	32 Å²	32	37.5 Å²	37.5	12%	0.121	17%	0.173	C	C	.	.	S	Bend	trans	-118.3	-28.3	167.6	-64.5	-178.9	70.8	87.5	-8.5	112.8	N138 Y140 L143 D215	N138-R211 HydrophobicContact CB-CG 4.19Å; N138-R211 WeakPolarHBondContact O-CD 3.3Å; N138-R211 WeakPolarHBondContact O-CG 3.45Å; N138-R211 PolarHBondContact O-NH1 2.98Å; Y140-R211 HydrophobicContact CE2-CB 4.26Å; Y140-R211 WeakPolarHBondContact CE2-O 3.44Å; Y140-R211 PolarHBondContact OH-O 3.39Å; L143-R211 PolarHBondContact O-NH1 2.63Å; L143-R211 PolarHBondContact O-NH2 2.99Å; R211-D215 WeakPolarHBondContact CB-OD2 3.28Å; R211-D215 PolarHBondContact N-OD1 2.78Å; R211-D215 PolarHBondContact N-OD2 3.32Å; R211-D215 VanDerWaalsContact N-OD2 3.07Å
212	S	90.7	Very high	95.9	Very high	51 Å²	51	37.5 Å²	37.5	36%	0.357	17%	0.173	S	C	.	.	S	Bend	trans	-126.8	172.8	-179.3	76.7	0	0	0	0	110.2	M210 F214 D215	M210-S212 WeakPolarHBondContact CE-O 2.97Å; M210-S212 WeakPolarHBondContact CG-O 3.48Å; S212-F214 PolarHBondContact O-N 2.76Å; S212-F214 VanDerWaalsContact O-N 3.16Å; S212-F214 PolarHBondContact OG-N 3.41Å; S212-D215 VanDerWaalsContact CA-OD1 3.3Å; S212-D215 WeakPolarHBondContact CA-OD1 3.17Å; S212-D215 WeakPolarHBondContact CB-OD1 3.47Å; S212-D215 PolarHBondContact N-OD1 3.15Å; S212-D215 VanDerWaalsContact OG-CG 3.26Å; S212-D215 PolarHBondContact OG-N 2.8Å; S212-D215 PolarHBondContact OG-OD1 2.78Å
213	V	88.3	Confident	95.9	Very high	110 Å²	110	37.5 Å²	37.5	67%	0.667	17%	0.173	S	C	*	.	S	Bend	trans	-66.8	-12.6	175.6	-61.1	0	0	0	0	113.7
214	F	92.1	Very high	95.9	Very high	164 Å²	164	37.5 Å²	37.5	72%	0.719	17%	0.173	S	C	*	.	S	Bend	trans	-115.9	-10.7	-169.9	-57.3	-61.9	0	0	0	115.6	S212 R218	S212-F214 PolarHBondContact O-N 2.76Å; S212-F214 VanDerWaalsContact O-N 3.16Å; S212-F214 PolarHBondContact OG-N 3.41Å; F214-R218 PolarHBondContact O-NE 2.87Å; F214-R218 PolarHBondContact O-NH2 3.1Å
215	D	94.7	Very high	96	Very high	34 Å²	34	37.5 Å²	37.5	18%	0.182	17%	0.173	C	C	.	.			trans	-107.3	10.9	-173.4	72.2	-37	0	0	0	113.7	R211 S212 N217 R218	R211-D215 WeakPolarHBondContact CB-OD2 3.28Å; R211-D215 PolarHBondContact N-OD1 2.78Å; R211-D215 PolarHBondContact N-OD2 3.32Å; R211-D215 VanDerWaalsContact N-OD2 3.07Å; S212-D215 VanDerWaalsContact CA-OD1 3.3Å; S212-D215 WeakPolarHBondContact CA-OD1 3.17Å; S212-D215 WeakPolarHBondContact CB-OD1 3.47Å; S212-D215 PolarHBondContact N-OD1 3.15Å; S212-D215 VanDerWaalsContact OG-CG 3.26Å; S212-D215 PolarHBondContact OG-N 2.8Å; S212-D215 PolarHBondContact OG-OD1 2.78Å; D215-N217 PolarHBondContact O-N 2.86Å; D215-N217 VanDerWaalsContact O-N 3.16Å; D215-R218 WeakPolarHBondContact O-CB 3.38Å; D215-R218 PolarHBondContact O-N 3.37Å
216	R	94.8	Very high	96	Very high	106 Å²	106	37.4 Å²	37.4	40%	0.4	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	124.8	178.3	-174.2	-177.5	-61.7	167.6	0.2	111.4	S209 M210 R218	S209-R216 CarbonylContact O-C 2.99Å; S209-R216 WeakPolarHBondContact O-CA 3.35Å; M210-R216 HydrophobicContact CB-CB 4.49Å; M210-R216 HydrophobicContact CG-CB 4.18Å; M210-R216 HydrophobicContact SD-CB 4.15Å; M210-R216 HydrophobicContact SD-CG 4.3Å; M210-R216 PolarHBondContact SD-NE 3.19Å; M210-R216 VanDerWaalsContact SD-NE 3.44Å; R216-R218 PolarHBondContact O-N 2.86Å
217	N	96	Very high	96.1	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.123	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	19.3	-179.5	-64.4	9.2	0	0	0	114.4	K20 F21 S209 D215 S219 W221	K20-N217 CarbonylContact C-O 3.59Å; K20-N217 VanDerWaalsContact CA-O 3.23Å; K20-N217 WeakPolarHBondContact CA-O 3.28Å; K20-N217 HydrophobicContact CB-CB 4.1Å; F21-N217 WeakPolarHBondContact CD2-O 3.25Å; F21-N217 PolarHBondContact N-O 3.45Å; F21-N217 WeakPolarHBondContact O-CB 3.35Å; F21-N217 PolarHBondContact O-ND2 2.79Å; F21-N217 VanDerWaalsContact O-ND2 3.12Å; S209-N217 PolarHBondContact N-OD1 3.42Å; S209-N217 PolarHBondContact O-N 2.94Å; S209-N217 PolarHBondContact O-OD1 2.75Å; S209-N217 VanDerWaalsContact OG-CA 3.28Å; S209-N217 WeakPolarHBondContact OG-CA 3.47Å; S209-N217 PolarHBondContact OG-N 2.77Å; D215-N217 PolarHBondContact O-N 2.86Å; D215-N217 VanDerWaalsContact O-N 3.16Å; N217-S219 VanDerWaalsContact C-N 3.32Å; N217-W221 HydrophobicContact CB-CH2 4.48Å; N217-W221 HydrophobicContact CB-CZ3 4.12Å
218	R	96.9	Very high	96.2	Very high	153 Å²	153	38.5 Å²	38.5	58%	0.577	18%	0.181	S	C	*	.	S	Bend	trans	-79.7	-16.9	174.4	-66.9	-166.2	-171.6	-135.5	1.3	113.2	F214 D215 R216	F214-R218 PolarHBondContact O-NE 2.87Å; F214-R218 PolarHBondContact O-NH2 3.1Å; D215-R218 WeakPolarHBondContact O-CB 3.38Å; D215-R218 PolarHBondContact O-N 3.37Å; R216-R218 PolarHBondContact O-N 2.86Å
219	S	97.9	Very high	96.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-113.9	151.6	165.8	70.7	0	0	0	0	110.3	N138 S165 S209 N217	N138-S219 PolarHBondContact ND2-OG 3.24Å; S165-S219 CarbonylContact O-C 3.21Å; S165-S219 VanDerWaalsContact O-CA 3.27Å; S165-S219 WeakPolarHBondContact O-CA 3.25Å; S209-S219 WeakPolarHBondContact CB-O 3.45Å; S209-S219 PolarHBondContact OG-O 3.5Å; S209-S219 PolarHBondContact OG-OG 3.13Å; N217-S219 VanDerWaalsContact C-N 3.32Å
220	L	98.2	Very high	95.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.			trans	-75.9	163.3	176.8	-179.6	64.7	0	0	0	110.3	P14 F21 P164 S165 T183 W184	P14-L220 HydrophobicContact CB-CD1 3.77Å; P14-L220 HydrophobicContact CG-CD1 4.18Å; P14-L220 HydrophobicContact CG-CD2 4.2Å; F21-L220 HydrophobicContact CB-CD1 4.25Å; F21-L220 HydrophobicContact CD1-CB 4.18Å; F21-L220 HydrophobicContact CD1-CD1 3.81Å; F21-L220 HydrophobicContact CD1-CG 4.49Å; F21-L220 HydrophobicContact CD2-CB 3.93Å; F21-L220 VanDerWaalsContact CD2-N 3.34Å; F21-L220 HydrophobicContact CE1-CB 4.12Å; F21-L220 HydrophobicContact CE1-CD1 4.32Å; F21-L220 HydrophobicContact CE2-CB 3.87Å; F21-L220 HydrophobicContact CG-CB 4.08Å; F21-L220 HydrophobicContact CG-CD1 3.99Å; F21-L220 HydrophobicContact CZ-CB 3.97Å; P164-L220 HydrophobicContact CB-CB 3.9Å; P164-L220 HydrophobicContact CB-CD2 4.49Å; P164-L220 HydrophobicContact CB-CG 4.2Å; P164-L220 WeakPolarHBondContact CB-O 3.23Å; P164-L220 VanDerWaalsContact CG-O 3.25Å; P164-L220 WeakPolarHBondContact CG-O 3.11Å; S165-L220 PolarHBondContact O-N 3.29Å; T183-L220 WeakPolarHBondContact OG1-CD2 3.24Å; W184-L220 HydrophobicContact CD2-CD1 4.46Å; W184-L220 HydrophobicContact CG-CD2 4.31Å; W184-L220 HydrophobicContact CZ2-CD1 4Å
221	W	98.3	Very high	96	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	21%	0.212	C	C	.	.			trans	-121.3	148.4	167.6	49.9	88.5	0	0	0	107.9	F21 N23 S136 H137 W184 S205 H207 W208 N217	F21-W221 HydrophobicContact CB-CH2 3.95Å; F21-W221 HydrophobicContact CB-CZ3 3.95Å; N23-W221 WeakPolarHBondContact OD1-CZ2 3.17Å; N23-W221 PolarHBondContact OD1-NE1 3.35Å; N23-W221 VanDerWaalsContact OD1-NE1 3.09Å; S136-W221 CarbonylContact O-C 3.48Å; S136-W221 VanDerWaalsContact O-CA 3.29Å; S136-W221 WeakPolarHBondContact O-CA 3.38Å; H137-W221 HydrophobicContact CB-CB 3.64Å; W184-W221 VanDerWaalsContact CE2-O 3.32Å; W184-W221 AromaticContact CZ2-CD1 3.86Å; W184-W221 AromaticContact CZ2-NE1 3.68Å; W184-W221 WeakPolarHBondContact CZ2-O 3.38Å; W184-W221 PolarHBondContact NE1-O 3.17Å; S205-W221 PolarHBondContact O-NE1 3.13Å; H207-W221 HydrophobicContact CB-CB 4.08Å; H207-W221 HydrophobicContact CB-CD2 4.41Å; H207-W221 HydrophobicContact CB-CG 3.74Å; H207-W221 VanDerWaalsContact N-CD1 3.33Å; H207-W221 VanDerWaalsContact N-NE1 3.13Å; H207-W221 WeakPolarHBondContact O-CZ2 3.44Å; H207-W221 PolarHBondContact O-NE1 3Å; W208-W221 VanDerWaalsContact CA-CZ3 3.47Å; W208-W221 HydrophobicContact CB-CZ3 4.38Å; N217-W221 HydrophobicContact CB-CH2 4.48Å; N217-W221 HydrophobicContact CB-CZ3 4.12Å
222	C	98.7	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.			trans	-153.2	162.2	-177.7	61.1	0	0	0	0	112.5	S136 C202 L203 S205 W224	S136-C222 VanDerWaalsContact CB-O 3.28Å; S136-C222 WeakPolarHBondContact CB-O 3.42Å; S136-C222 PolarHBondContact O-N 3.46Å; C202-C222 WeakPolarHBondContact SG-CB 3.45Å; C202-C222 VanDerWaalsContact SG-SG 3.63Å; L203-C222 CarbonylContact O-C 3.41Å; L203-C222 WeakPolarHBondContact O-CA 3.33Å; L203-C222 WeakPolarHBondContact O-CB 3.26Å; S205-C222 VanDerWaalsContact OG-C 3.27Å; S205-C222 VanDerWaalsContact OG-CA 3.3Å; S205-C222 WeakPolarHBondContact OG-CA 3.46Å; S205-C222 PolarHBondContact OG-N 3.42Å; C222-W224 WeakPolarHBondContact SG-CZ2 3.44Å; C222-W224 PolarHBondContact SG-NE1 2.92Å
223	S	98.8	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	170.9	154.6	61.8	0	0	0	0	109.4	L203 P204 F235 A236	L203-S223 WeakPolarHBondContact CB-OG 3.23Å; L203-S223 PolarHBondContact N-O 3.38Å; L203-S223 PolarHBondContact O-N 3.5Å; L203-S223 PolarHBondContact O-OG 3.23Å; P204-S223 PolarHBondContact O-OG 2.89Å; S223-F235 CarbonylContact C-O 3.39Å; S223-F235 VanDerWaalsContact CA-O 3.24Å; S223-F235 WeakPolarHBondContact CA-O 3.45Å; S223-F235 WeakPolarHBondContact CB-O 3.37Å; S223-A236 WeakPolarHBondContact CB-O 3.47Å
224	W	98.9	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	-177.6	-69.3	98.5	0	0	0	111.5	I134 I135 F162 L182 I200 V201 C202 C222 F234 F235	I134-W224 HydrophobicContact CB-CD2 4.28Å; I134-W224 HydrophobicContact CB-CG 4.08Å; I134-W224 HydrophobicContact CD1-CB 3.58Å; I134-W224 HydrophobicContact CD1-CG 3.84Å; I134-W224 HydrophobicContact CG2-CD2 4.29Å; I134-W224 HydrophobicContact CG2-CG 4.37Å; I135-W224 PolarHBondContact O-NE1 2.97Å; F162-W224 HydrophobicContact CB-CH2 4.14Å; F162-W224 HydrophobicContact CB-CZ3 4.32Å; L182-W224 HydrophobicContact CB-CH2 4.16Å; L182-W224 HydrophobicContact CB-CZ3 4.41Å; L182-W224 HydrophobicContact CD1-CH2 4.05Å; L182-W224 HydrophobicContact CD1-CZ3 3.72Å; I200-W224 HydrophobicContact CG2-CE3 3.86Å; I200-W224 HydrophobicContact CG2-CZ3 3.98Å; V201-W224 WeakPolarHBondContact O-CA 3.48Å; V201-W224 VanDerWaalsContact O-CE3 3.31Å; C202-W224 HydrophobicContact CB-CE3 4.08Å; C202-W224 HydrophobicContact CB-CH2 3.76Å; C202-W224 HydrophobicContact CB-CZ3 3.49Å; C202-W224 VanDerWaalsContact CB-CZ3 3.49Å; C222-W224 WeakPolarHBondContact SG-CZ2 3.44Å; C222-W224 PolarHBondContact SG-NE1 2.92Å; W224-F234 CarbonylContact O-C 3.31Å; W224-F234 WeakPolarHBondContact O-CA 3.48Å; W224-F234 WeakPolarHBondContact O-CD2 3.18Å; W224-F235 HydrophobicContact CB-CB 4.39Å; W224-F235 PolarHBondContact N-O 3.14Å; W224-F235 PolarHBondContact O-N 3.46Å
225	A	98.9	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.7	161.4	0	0	0	0	0	110.3	V201 L203 I227 F233 F255	V201-A225 HydrophobicContact CB-CB 4.21Å; V201-A225 HydrophobicContact CG2-CB 4.46Å; V201-A225 PolarHBondContact N-O 2.87Å; V201-A225 PolarHBondContact O-N 2.87Å; L203-A225 HydrophobicContact CD1-CB 3.54Å; A225-I227 HydrophobicContact CB-CD1 4.49Å; A225-I227 HydrophobicContact CB-CG1 4.32Å; A225-F233 WeakPolarHBondContact CA-O 3.36Å; A225-F255 HydrophobicContact CB-CE1 3.68Å; A225-F255 HydrophobicContact CB-CZ 4.01Å
226	I	98.9	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.2	169.1	-54.5	179.7	0	0	0	106.7	F91 F96 I134 F198 I200 R232 F233	F91-I226 HydrophobicContact CD2-CG2 4.43Å; F91-I226 HydrophobicContact CE2-CB 4.15Å; F91-I226 HydrophobicContact CE2-CG2 3.55Å; F91-I226 HydrophobicContact CZ-CB 3.99Å; F91-I226 HydrophobicContact CZ-CG2 3.6Å; F96-I226 HydrophobicContact CB-CD1 3.71Å; F96-I226 HydrophobicContact CD1-CD1 3.82Å; F96-I226 HydrophobicContact CD2-CD1 4.14Å; F96-I226 HydrophobicContact CD2-CG2 4.08Å; F96-I226 HydrophobicContact CE1-CD1 4.47Å; F96-I226 HydrophobicContact CE1-CG2 4.38Å; F96-I226 HydrophobicContact CE2-CG2 3.82Å; F96-I226 HydrophobicContact CG-CD1 3.62Å; F96-I226 HydrophobicContact CG-CG2 4.47Å; F96-I226 HydrophobicContact CZ-CG2 3.98Å; I134-I226 HydrophobicContact CD1-CD1 4.07Å; I134-I226 HydrophobicContact CD1-CG1 4.48Å; I134-I226 HydrophobicContact CG2-CD1 4.37Å; F198-I226 HydrophobicContact CD1-CG2 4.03Å; I200-I226 HydrophobicContact CD1-CB 4.3Å; I200-I226 HydrophobicContact CD1-CG1 4.11Å; I200-I226 HydrophobicContact CD1-CG2 3.79Å; I226-R232 WeakPolarHBondContact O-CA 3.24Å; I226-F233 HydrophobicContact CB-CB 4.39Å; I226-F233 HydrophobicContact CB-CD1 4.45Å; I226-F233 HydrophobicContact CD1-CD1 4.03Å; I226-F233 HydrophobicContact CG1-CD1 4.27Å; I226-F233 PolarHBondContact N-O 3.16Å; I226-F233 PolarHBondContact O-N 3.13Å
227	I	98.7	Very high	97.8	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.082	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.8	-175.9	-60	170.1	0	0	0	107.3	F198 R199 V201 A225 R232 H252	F198-I227 CarbonylContact C-O 3.44Å; F198-I227 WeakPolarHBondContact CA-O 3.5Å; R199-I227 HydrophobicContact CB-CB 4.19Å; R199-I227 PolarHBondContact N-O 2.69Å; R199-I227 PolarHBondContact O-N 2.71Å; V201-I227 HydrophobicContact CG2-CD1 4.07Å; A225-I227 HydrophobicContact CB-CD1 4.49Å; A225-I227 HydrophobicContact CB-CG1 4.32Å; I227-R232 HydrophobicContact CG1-CG 4.39Å; I227-R232 HydrophobicContact CG2-CG 4.13Å; I227-H252 HydrophobicContact CD1-CB 4.36Å
228	G	97.6	Very high	97.9	Very high	11 Å²	11	24.4 Å²	24.4	11%	0.113	11%	0.106	C	C	.	.			trans	-87.4	-176.9	169.6	0	0	0	0	0	111.8	Q230 R231	G228-Q230 VanDerWaalsContact C-N 3.34Å; G228-Q230 PolarHBondContact O-N 2.89Å; G228-R231 PolarHBondContact N-O 2.69Å
229	E	93.7	Very high	97.9	Very high	126 Å²	126	17.1 Å²	17.1	59%	0.589	8%	0.079	S	C	*	.	S	Bend	trans	-59.8	-40.9	-178.4	-66.9	175	-170.2	0	0	113.4
230	Q	92.6	Very high	97.8	Very high	90 Å²	90	17 Å²	17	42%	0.421	8%	0.078	S	C	.	.	S	Bend	trans	-118	-20.7	-172.8	-63.9	-179.5	-13.3	0	0	113.9	G228 I344	G228-Q230 VanDerWaalsContact C-N 3.34Å; G228-Q230 PolarHBondContact O-N 2.89Å; Q230-I344 VanDerWaalsContact OE1-CG2 3.3Å
231	R	96.8	Very high	97.8	Very high	19 Å²	19	19.9 Å²	19.9	7%	0.072	9%	0.089	C	C	.	.			trans	-134.9	151.9	-170.8	-64.4	-68.9	-167.8	-178.8	1.4	111.2	H75 L77 F91 G228 D256 D342	H75-R231 PolarHBondContact O-NE 2.89Å; H75-R231 PolarHBondContact O-NH2 3.41Å; L77-R231 HydrophobicContact CB-CB 4.1Å; L77-R231 HydrophobicContact CB-CG 3.95Å; L77-R231 HydrophobicContact CD2-CB 4.4Å; F91-R231 HydrophobicContact CD1-CB 4.19Å; F91-R231 HydrophobicContact CE1-CB 4.1Å; F91-R231 WeakPolarHBondContact CE1-O 3.4Å; G228-R231 PolarHBondContact N-O 2.69Å; R231-D256 WeakPolarHBondContact CA-OD2 3.44Å; R231-D256 WeakPolarHBondContact CD-OD1 3.36Å; R231-D256 WeakPolarHBondContact CD-OD2 3.39Å; R231-D256 IonicContact CZ-OD1 3.88Å; R231-D256 IonicContact NE-OD1 3.48Å; R231-D256 IonicContact NH1-OD1 2.83Å; R231-D256 PolarHBondContact NH1-OD1 2.87Å; R231-D342 IonicContact NH1-OD2 2.86Å; R231-D342 PolarHBondContact NH2-O 3.2Å; R231-D342 IonicContact NH2-OD2 3.28Å
232	R	98.2	Very high	97.6	Very high	92 Å²	92	19.9 Å²	19.9	35%	0.347	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134	-180	-50.1	-176.7	-173.2	167.5	5	110.8	I226 I227 H252 G253 F255 D256 L257	I226-R232 WeakPolarHBondContact O-CA 3.24Å; I227-R232 HydrophobicContact CG1-CG 4.39Å; I227-R232 HydrophobicContact CG2-CG 4.13Å; R232-H252 WeakPolarHBondContact CD-O 3.43Å; R232-H252 PolarHBondContact NH1-O 3.29Å; R232-G253 PolarHBondContact NH1-O 3.09Å; R232-F255 HydrophobicContact CB-CD1 3.73Å; R232-F255 HydrophobicContact CB-CE1 4.39Å; R232-D256 PolarHBondContact N-OD2 2.51Å; R232-D256 PolarHBondContact O-N 2.98Å; R232-L257 PolarHBondContact O-N 3.28Å
233	F	98.8	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.1	176.7	172.5	-108.6	0	0	0	110.5	V89 F91 T98 A225 I226 F235 L257 A259	V89-F233 HydrophobicContact CG1-CB 4.34Å; V89-F233 HydrophobicContact CG1-CD1 4.31Å; V89-F233 HydrophobicContact CG1-CD2 4.24Å; V89-F233 HydrophobicContact CG1-CG 4.05Å; V89-F233 HydrophobicContact CG2-CD1 4.12Å; V89-F233 HydrophobicContact CG2-CD2 4.27Å; V89-F233 HydrophobicContact CG2-CE1 3.72Å; V89-F233 HydrophobicContact CG2-CE2 3.9Å; V89-F233 HydrophobicContact CG2-CG 4.37Å; V89-F233 HydrophobicContact CG2-CZ 3.61Å; F91-F233 HydrophobicContact CE2-CB 4.28Å; F91-F233 HydrophobicContact CZ-CB 3.69Å; T98-F233 HydrophobicContact CG2-CE1 3.85Å; T98-F233 HydrophobicContact CG2-CZ 4.15Å; A225-F233 WeakPolarHBondContact CA-O 3.36Å; I226-F233 HydrophobicContact CB-CB 4.39Å; I226-F233 HydrophobicContact CB-CD1 4.45Å; I226-F233 HydrophobicContact CD1-CD1 4.03Å; I226-F233 HydrophobicContact CG1-CD1 4.27Å; I226-F233 PolarHBondContact N-O 3.16Å; I226-F233 PolarHBondContact O-N 3.13Å; F233-F235 HydrophobicContact CE1-CB 3.65Å; F233-F235 HydrophobicContact CZ-CB 3.97Å; F233-L257 CarbonylContact C-O 3.59Å; F233-L257 VanDerWaalsContact CA-O 3.29Å; F233-L257 WeakPolarHBondContact CA-O 3.44Å; F233-L257 HydrophobicContact CD2-CB 4.07Å; F233-L257 HydrophobicContact CD2-CD2 3.99Å; F233-L257 HydrophobicContact CD2-CG 4.08Å; F233-L257 WeakPolarHBondContact CD2-O 3.42Å; F233-L257 HydrophobicContact CE2-CD2 4.09Å; F233-L257 HydrophobicContact CE2-CG 4.29Å; F233-A259 HydrophobicContact CE2-CB 3.86Å; F233-A259 HydrophobicContact CZ-CB 3.78Å
234	F	98.9	Very high	97.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.7	171.8	175.7	-103.9	0	0	0	110.6	L203 W224 A236 F245 V248 F255 L257 A258 A259 I284 V288	L203-F234 HydrophobicContact CD1-CD2 4.19Å; L203-F234 HydrophobicContact CD1-CE2 4.11Å; W224-F234 CarbonylContact O-C 3.31Å; W224-F234 WeakPolarHBondContact O-CA 3.48Å; W224-F234 WeakPolarHBondContact O-CD2 3.18Å; F234-A236 HydrophobicContact CE1-CB 3.79Å; F234-A236 HydrophobicContact CZ-CB 4.25Å; F234-F245 HydrophobicContact CZ-CD1 4.18Å; F234-F245 HydrophobicContact CZ-CE1 4.05Å; F234-V248 HydrophobicContact CD2-CG1 4.34Å; F234-V248 HydrophobicContact CE2-CG1 4.05Å; F234-F255 HydrophobicContact CB-CB 4.3Å; F234-F255 HydrophobicContact CB-CD1 3.75Å; F234-F255 HydrophobicContact CB-CD2 3.76Å; F234-F255 HydrophobicContact CB-CE1 3.94Å; F234-F255 HydrophobicContact CB-CE2 3.96Å; F234-F255 HydrophobicContact CB-CG 3.66Å; F234-F255 HydrophobicContact CB-CZ 4.04Å; F234-F255 HydrophobicContact CD2-CE2 4.13Å; F234-F255 HydrophobicContact CD2-CZ 4.07Å; F234-F255 HydrophobicContact CG-CD2 4.35Å; F234-F255 HydrophobicContact CG-CE2 4.22Å; F234-F255 HydrophobicContact CG-CZ 4.41Å; F234-L257 PolarHBondContact N-O 3.11Å; F234-A258 HydrophobicContact CB-CB 4.01Å; F234-A258 HydrophobicContact CD1-CB 3.94Å; F234-A258 HydrophobicContact CG-CB 4.48Å; F234-A258 CarbonylContact O-C 3.57Å; F234-A258 WeakPolarHBondContact O-CA 3.44Å; F234-A259 PolarHBondContact O-N 3.08Å; F234-I284 HydrophobicContact CE1-CG2 4.18Å; F234-V288 HydrophobicContact CD1-CB 4.48Å; F234-V288 HydrophobicContact CD1-CG1 4.26Å; F234-V288 HydrophobicContact CD1-CG2 4.13Å; F234-V288 HydrophobicContact CE1-CG1 3.89Å; F234-V288 HydrophobicContact CE1-CG2 4.48Å; F234-V288 HydrophobicContact CE2-CG1 4.42Å; F234-V288 HydrophobicContact CZ-CG1 3.99Å
235	F	98.9	Very high	97.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116	173.5	175.2	-123.5	0	0	0	109.4	T98 D99 I134 S223 W224 F233 G237 A259 I296	T98-F235 HydrophobicContact CG2-CB 4.36Å; T98-F235 HydrophobicContact CG2-CD1 4.2Å; T98-F235 HydrophobicContact CG2-CD2 4.11Å; T98-F235 HydrophobicContact CG2-CE2 4.43Å; T98-F235 HydrophobicContact CG2-CG 3.98Å; D99-F235 HydrophobicContact CB-CE1 4.44Å; D99-F235 HydrophobicContact CB-CZ 4.08Å; D99-F235 VanDerWaalsContact OD2-CE1 3.27Å; D99-F235 WeakPolarHBondContact OD2-CE1 3.42Å; D99-F235 WeakPolarHBondContact OD2-CZ 3.35Å; I134-F235 HydrophobicContact CD1-CB 3.84Å; I134-F235 HydrophobicContact CD1-CD1 3.69Å; I134-F235 HydrophobicContact CD1-CG 4.08Å; I134-F235 HydrophobicContact CG1-CD1 4.39Å; S223-F235 CarbonylContact C-O 3.39Å; S223-F235 VanDerWaalsContact CA-O 3.24Å; S223-F235 WeakPolarHBondContact CA-O 3.45Å; S223-F235 WeakPolarHBondContact CB-O 3.37Å; W224-F235 HydrophobicContact CB-CB 4.39Å; W224-F235 PolarHBondContact N-O 3.14Å; W224-F235 PolarHBondContact O-N 3.46Å; F233-F235 HydrophobicContact CE1-CB 3.65Å; F233-F235 HydrophobicContact CZ-CB 3.97Å; F235-G237 VanDerWaalsContact C-N 3.33Å; F235-G237 PolarHBondContact O-N 2.92Å; F235-A259 HydrophobicContact CD2-CB 4.1Å; F235-I296 HydrophobicContact CD2-CD1 4.13Å; F235-I296 HydrophobicContact CE2-CD1 3.59Å
236	A	98.8	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.			trans	-72.6	-27.4	-174.8	0	0	0	0	0	113.4	S223 F234 T239 A259 I260	S223-A236 WeakPolarHBondContact CB-O 3.47Å; F234-A236 HydrophobicContact CE1-CB 3.79Å; F234-A236 HydrophobicContact CZ-CB 4.25Å; A236-T239 HydrophobicContact CB-CG2 4.42Å; A236-A259 PolarHBondContact N-O 3.3Å; A236-I260 HydrophobicContact CB-CG1 4.49Å; A236-I260 HydrophobicContact CB-CG2 4.48Å
237	G	98.5	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.			trans	59.8	-163.9	-160.6	0	0	0	0	0	111.3	F235 P261	F235-G237 VanDerWaalsContact C-N 3.33Å; F235-G237 PolarHBondContact O-N 2.92Å; G237-P261 VanDerWaalsContact O-CD 3.26Å; G237-P261 WeakPolarHBondContact O-CD 3.47Å; G237-P261 VanDerWaalsContact O-CG 3.23Å; G237-P261 WeakPolarHBondContact O-CG 3.46Å
238	D	98.1	Very high	96.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	12%	0.122	C	C	.	.	S	Bend	trans	-71.6	137.2	164.2	-84.2	-13.4	0	0	0	111.2	H137 H142 H207 H275 H297	H137-D238 IonicContact CE1-OD2 3.75Å; H137-D238 PolarHBondContact CE1-OD2 3.36Å; H137-D238 IonicContact NE2-OD2 3.6Å; H142-D238 IonicContact CD2-OD2 3.6Å; H142-D238 IonicContact CE1-OD1 3.67Å; H142-D238 IonicContact CE1-OD2 3.53Å; H142-D238 VanDerWaalsContact NE2-CG 3.33Å; H142-D238 IonicContact NE2-OD1 3.93Å; H142-D238 PolarHBondContact NE2-OD1 2.87Å; H142-D238 IonicContact NE2-OD2 3.96Å; H142-D238 PolarHBondContact NE2-OD2 2.83Å; H142-D238 VanDerWaalsContact NE2-OD2 3.11Å; H207-D238 VanDerWaalsContact CD2-CB 3.46Å; H207-D238 WeakPolarHBondContact CD2-CB 3.33Å; H207-D238 IonicContact CE1-OD2 2.6Å; H207-D238 WeakPolarHBondContact NE2-CB 3.14Å; H207-D238 IonicContact NE2-OD2 2.79Å; H207-D238 PolarHBondContact NE2-OD2 3.46Å; D238-H275 IonicContact OD1-CE1 2.92Å; D238-H275 PolarHBondContact OD1-CE1 2.99Å; D238-H275 VanDerWaalsContact OD1-CE1 3.31Å; D238-H275 IonicContact OD1-ND1 3.32Å; D238-H275 PolarHBondContact OD1-ND1 2.9Å; D238-H275 IonicContact OD2-CE1 2.79Å; D238-H275 PolarHBondContact OD2-CE1 2.89Å; D238-H275 IonicContact OD2-ND1 3.12Å; D238-H275 IonicContact OD2-NE2 3.3Å; D238-H297 IonicContact OD1-CD2 2.66Å; D238-H297 PolarHBondContact OD1-CD2 3.43Å; D238-H297 IonicContact OD1-CE1 3.84Å; D238-H297 PolarHBondContact OD1-CE1 3.16Å; D238-H297 IonicContact OD1-CG 2.99Å; D238-H297 IonicContact OD1-ND1 3.79Å; D238-H297 IonicContact OD1-NE2 3.37Å; D238-H297 PolarHBondContact OD1-NE2 2.59Å; D238-H297 IonicContact OD2-NE2 3.89Å
239	T	98	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.			trans	-162.4	141.4	-179.9	-166.7	0	0	0	0	111.7	Q206 A236 F245 P261 Q274 H275 V276 I284	Q206-T239 PolarHBondContact N-OG1 3.5Å; Q206-T239 CarbonylContact O-C 3.44Å; Q206-T239 WeakPolarHBondContact O-CA 3.45Å; A236-T239 HydrophobicContact CB-CG2 4.42Å; T239-F245 HydrophobicContact CG2-CE2 4.31Å; T239-F245 HydrophobicContact CG2-CZ 3.76Å; T239-F245 WeakPolarHBondContact OG1-CZ 3.36Å; T239-P261 HydrophobicContact CG2-CG 4.47Å; T239-Q274 VanDerWaalsContact C-C 3.47Å; T239-Q274 CarbonylContact C-O 3.56Å; T239-Q274 WeakPolarHBondContact CA-O 3.49Å; T239-Q274 PolarHBondContact N-O 3.05Å; T239-H275 CarbonylContact O-C 3.6Å; T239-H275 VanDerWaalsContact O-CA 3.24Å; T239-H275 WeakPolarHBondContact O-CA 3.49Å; T239-V276 HydrophobicContact CG2-CG1 4.47Å; T239-V276 HydrophobicContact CG2-CG2 4.4Å; T239-V276 WeakPolarHBondContact O-CG1 3.19Å; T239-V276 PolarHBondContact O-N 3.25Å; T239-I284 HydrophobicContact CG2-CD1 3.87Å
240	G	96.5	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-74.9	166.2	150.9	0	0	0	0	0	110.4	Q206 Q274	Q206-G240 PolarHBondContact O-N 2.55Å; G240-Q274 VanDerWaalsContact N-C 3.25Å; G240-Q274 PolarHBondContact N-O 3.21Å; G240-Q274 VanDerWaalsContact N-O 3.15Å
241	Y	96.7	Very high	97.3	Very high	61 Å²	61	22.4 Å²	22.4	24%	0.239	11%	0.108	C	C	.	.			trans	-71.1	140.2	176.7	-178.7	-96.5	0	0	0	111.2	Q206 F245 Q283 I284 D287	Q206-Y241 PolarHBondContact OE1-O 3.46Å; Y241-F245 HydrophobicContact CD2-CD2 4.19Å; Y241-F245 HydrophobicContact CE2-CD2 4.3Å; Y241-Q283 HydrophobicContact CD2-CG 4.43Å; Y241-Q283 HydrophobicContact CE2-CB 4.14Å; Y241-Q283 HydrophobicContact CE2-CG 3.62Å; Y241-I284 HydrophobicContact CD2-CG1 3.89Å; Y241-I284 HydrophobicContact CE2-CG1 4.3Å; Y241-D287 WeakPolarHBondContact CE2-OD2 3.26Å; Y241-D287 PolarHBondContact OH-OD2 2.75Å
242	C	95	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.			trans	-145.3	156.4	178.1	71.3	0	0	0	0	113.2	W25 Q206 A244 F245	W25-C242 HydrophobicContact CG-CB 4.23Å; W25-C242 VanDerWaalsContact NE1-CB 3.34Å; Q206-C242 HydrophobicContact CB-CB 4.04Å; C242-A244 PolarHBondContact O-N 2.76Å; C242-F245 HydrophobicContact CB-CE2 4.44Å; C242-F245 VanDerWaalsContact O-CD2 3.25Å; C242-F245 WeakPolarHBondContact O-CD2 3.25Å; C242-F245 WeakPolarHBondContact SG-CE2 3.28Å
243	P	93.9	Very high	97.3	Very high	52 Å²	52	17.9 Å²	17.9	34%	0.338	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21	-178.4	25.7	-35	0	0	0	114.1	L11 F245 K246	L11-P243 HydrophobicContact CD1-CB 4.33Å; L11-P243 HydrophobicContact CD2-CG 4.3Å; P243-F245 PolarHBondContact O-N 3.06Å; P243-K246 PolarHBondContact O-N 3.5Å
244	A	95.8	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-25	-177.8	0	0	0	0	0	113.4	L11 W25 P204 C242 K246 V247 V248	L11-A244 HydrophobicContact CB-CB 4.38Å; W25-A244 HydrophobicContact CZ2-CB 4.42Å; P204-A244 HydrophobicContact CB-CB 3.73Å; P204-A244 HydrophobicContact CG-CB 3.99Å; C242-A244 PolarHBondContact O-N 2.76Å; A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 PolarHBondContact O-N 3.06Å; A244-V247 WeakPolarHBondContact O-CB 3.22Å; A244-V247 PolarHBondContact O-N 3.48Å; A244-V248 WeakPolarHBondContact O-CG2 3.31Å; A244-V248 PolarHBondContact O-N 3.48Å
245	F	97.5	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-33.8	-179.5	-66.3	-53.6	0	0	0	113.5	F234 T239 Y241 C242 P243 V248 G249 I284 D287 V288	F234-F245 HydrophobicContact CZ-CD1 4.18Å; F234-F245 HydrophobicContact CZ-CE1 4.05Å; T239-F245 HydrophobicContact CG2-CE2 4.31Å; T239-F245 HydrophobicContact CG2-CZ 3.76Å; T239-F245 WeakPolarHBondContact OG1-CZ 3.36Å; Y241-F245 HydrophobicContact CD2-CD2 4.19Å; Y241-F245 HydrophobicContact CE2-CD2 4.3Å; C242-F245 HydrophobicContact CB-CE2 4.44Å; C242-F245 VanDerWaalsContact O-CD2 3.25Å; C242-F245 WeakPolarHBondContact O-CD2 3.25Å; C242-F245 WeakPolarHBondContact SG-CE2 3.28Å; P243-F245 PolarHBondContact O-N 3.06Å; F245-V248 PolarHBondContact O-N 2.83Å; F245-G249 PolarHBondContact O-N 3.3Å; F245-I284 HydrophobicContact CD1-CG2 4.15Å; F245-I284 HydrophobicContact CD2-CD1 3.92Å; F245-I284 HydrophobicContact CD2-CG1 3.61Å; F245-I284 HydrophobicContact CD2-CG2 4.47Å; F245-I284 HydrophobicContact CE1-CG2 4.42Å; F245-I284 HydrophobicContact CE2-CD1 3.44Å; F245-I284 VanDerWaalsContact CE2-CD1 3.44Å; F245-I284 HydrophobicContact CE2-CG1 3.71Å; F245-I284 HydrophobicContact CG-CG1 4.14Å; F245-I284 HydrophobicContact CG-CG2 4.2Å; F245-I284 HydrophobicContact CZ-CD1 3.8Å; F245-I284 HydrophobicContact CZ-CG1 4.34Å; F245-D287 HydrophobicContact CB-CB 3.96Å; F245-D287 CarbonylContact O-C 3.53Å; F245-V288 HydrophobicContact CB-CG1 4.15Å; F245-V288 HydrophobicContact CD1-CG1 4.13Å
246	K	96.7	Very high	97.2	Very high	95 Å²	95	21.8 Å²	21.8	41%	0.413	12%	0.118	S	C	.	.	H	α-helix	trans	-66.7	-39	174.7	-69.8	180	-179.6	179.7	0	112.3	P243 A244 T250 D287	P243-K246 PolarHBondContact O-N 3.5Å; A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 PolarHBondContact O-N 3.06Å; K246-T250 WeakPolarHBondContact O-CB 3.47Å; K246-T250 PolarHBondContact O-N 3.44Å; K246-T250 VanDerWaalsContact O-N 3.11Å; K246-T250 PolarHBondContact O-OG1 3.5Å; K246-D287 WeakPolarHBondContact CE-OD1 3.41Å; K246-D287 HydrophobicContact CG-CB 3.79Å; K246-D287 VanDerWaalsContact CG-CG 3.45Å; K246-D287 VanDerWaalsContact CG-OD1 3.31Å; K246-D287 WeakPolarHBondContact CG-OD1 3.36Å
247	V	96.4	Very high	97.2	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-45.9	177	-178.4	0	0	0	0	109.4	F7 L11 L12 A244 G249 T250 I251	F7-V247 HydrophobicContact CD1-CG1 4.48Å; F7-V247 HydrophobicContact CD2-CG2 4.28Å; F7-V247 HydrophobicContact CE1-CG1 3.77Å; F7-V247 HydrophobicContact CE2-CB 4.25Å; F7-V247 HydrophobicContact CE2-CG1 4.26Å; F7-V247 HydrophobicContact CE2-CG2 4.1Å; F7-V247 HydrophobicContact CZ-CB 4.09Å; F7-V247 HydrophobicContact CZ-CG1 3.64Å; F7-V247 HydrophobicContact CZ-CG2 4.3Å; L11-V247 HydrophobicContact CD1-CG2 4.02Å; L12-V247 HydrophobicContact CD1-CG1 3.91Å; L12-V247 HydrophobicContact CD2-CB 4.21Å; L12-V247 HydrophobicContact CD2-CG1 3.74Å; L12-V247 HydrophobicContact CG-CG1 3.91Å; A244-V247 WeakPolarHBondContact O-CB 3.22Å; A244-V247 PolarHBondContact O-N 3.48Å; V247-G249 PolarHBondContact O-N 3.3Å; V247-T250 PolarHBondContact O-N 3.33Å; V247-T250 VanDerWaalsContact O-N 3.13Å; V247-I251 HydrophobicContact CG1-CD1 3.68Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CG1 3.1Å; V247-I251 PolarHBondContact O-N 3.11Å
248	V	97.9	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-54.5	-51.7	174.8	168.4	0	0	0	0	111.7	L12 L203 F234 A244 F245 T250 I251 H252 G253 F255 V288	L12-V248 HydrophobicContact CD2-CG2 4.37Å; L203-V248 HydrophobicContact CB-CG2 4.36Å; L203-V248 HydrophobicContact CD1-CG1 3.74Å; L203-V248 HydrophobicContact CD1-CG2 4.43Å; L203-V248 HydrophobicContact CD2-CG2 4.22Å; F234-V248 HydrophobicContact CD2-CG1 4.34Å; F234-V248 HydrophobicContact CE2-CG1 4.05Å; A244-V248 WeakPolarHBondContact O-CG2 3.31Å; A244-V248 PolarHBondContact O-N 3.48Å; F245-V248 PolarHBondContact O-N 2.83Å; V248-T250 PolarHBondContact O-N 3.48Å; V248-I251 PolarHBondContact O-N 3.42Å; V248-H252 PolarHBondContact O-N 3.3Å; V248-G253 PolarHBondContact O-N 3.32Å; V248-F255 HydrophobicContact CG1-CE2 4.08Å; V248-F255 HydrophobicContact CG1-CZ 4.22Å; V248-V288 HydrophobicContact CG1-CG1 4.35Å
249	G	98	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-27.9	179.6	0	0	0	0	0	113.8	F245 V247 G253 D287 V288 R289	F245-G249 PolarHBondContact O-N 3.3Å; V247-G249 PolarHBondContact O-N 3.3Å; G249-G253 VanDerWaalsContact O-CA 3.23Å; G249-G253 WeakPolarHBondContact O-CA 3.24Å; G249-G253 PolarHBondContact O-N 3Å; G249-D287 WeakPolarHBondContact CA-O 3.4Å; G249-V288 WeakPolarHBondContact CA-O 3.48Å; G249-R289 WeakPolarHBondContact O-CD 3.21Å
250	T	97.2	Very high	97.3	Very high	80 Å²	80	21.7 Å²	21.7	49%	0.491	12%	0.118	S	C	.	.	H	α-helix	trans	-74.5	-39.5	176.6	-60.6	0	0	0	0	112.1	F7 K246 V247 V248	F7-T250 VanDerWaalsContact CE2-CB 3.49Å; F7-T250 HydrophobicContact CE2-CG2 3.54Å; F7-T250 HydrophobicContact CZ-CG2 3.46Å; F7-T250 VanDerWaalsContact CZ-CG2 3.46Å; K246-T250 WeakPolarHBondContact O-CB 3.47Å; K246-T250 PolarHBondContact O-N 3.44Å; K246-T250 VanDerWaalsContact O-N 3.11Å; K246-T250 PolarHBondContact O-OG1 3.5Å; V247-T250 PolarHBondContact O-N 3.33Å; V247-T250 VanDerWaalsContact O-N 3.13Å; V248-T250 PolarHBondContact O-N 3.48Å
251	I	96.9	Very high	97.4	Very high	66 Å²	66	21.8 Å²	21.8	34%	0.338	12%	0.118	S	C	.	.	H	α-helix	trans	-85.5	-46.4	-176.2	-62.5	171.7	0	0	0	111.9	F7 F9 L12 V247 V248	F7-I251 HydrophobicContact CE1-CD1 4.22Å; F7-I251 HydrophobicContact CE1-CG1 4.25Å; F7-I251 HydrophobicContact CZ-CD1 4.38Å; F7-I251 HydrophobicContact CZ-CG1 4.09Å; F9-I251 HydrophobicContact CD1-CD1 4.29Å; F9-I251 HydrophobicContact CE1-CD1 3.72Å; F9-I251 HydrophobicContact CZ-CD1 4.48Å; L12-I251 HydrophobicContact CD1-CD1 3.61Å; V247-I251 HydrophobicContact CG1-CD1 3.68Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CG1 3.1Å; V247-I251 PolarHBondContact O-N 3.11Å; V248-I251 PolarHBondContact O-N 3.42Å
252	H	97.8	Very high	97.4	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.037	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-22	-170.5	-60	-73.6	0	0	0	113.3	I227 R232 V248 F255	I227-H252 HydrophobicContact CD1-CB 4.36Å; R232-H252 WeakPolarHBondContact CD-O 3.43Å; R232-H252 PolarHBondContact NH1-O 3.29Å; V248-H252 PolarHBondContact O-N 3.3Å; H252-F255 HydrophobicContact CB-CE1 4.28Å; H252-F255 HydrophobicContact CB-CZ 3.69Å
253	G	97.1	Very high	97.5	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	11%	0.107	C	C	.	.			trans	-73.8	-179.7	176.2	0	0	0	0	0	113.7	R232 V248 G249	R232-G253 PolarHBondContact NH1-O 3.09Å; V248-G253 PolarHBondContact O-N 3.32Å; G249-G253 VanDerWaalsContact O-CA 3.23Å; G249-G253 WeakPolarHBondContact O-CA 3.24Å; G249-G253 PolarHBondContact O-N 3Å
254	P	97.7	Very high	97.5	Very high	63 Å²	63	17 Å²	17	41%	0.409	10%	0.095	S	C	.	.			cis	-65.5	147	-10.2	30.1	-34.9	0	0	0	111.6	R289	P254-R289 WeakPolarHBondContact CA-O 3.48Å; P254-R289 HydrophobicContact CB-CB 4.2Å; P254-R289 WeakPolarHBondContact CB-O 3.2Å
255	F	98.3	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.2	173.6	-63.9	-79.6	0	0	0	110.2	A225 R232 F234 V248 H252 V288 R289 S290 R291	A225-F255 HydrophobicContact CB-CE1 3.68Å; A225-F255 HydrophobicContact CB-CZ 4.01Å; R232-F255 HydrophobicContact CB-CD1 3.73Å; R232-F255 HydrophobicContact CB-CE1 4.39Å; F234-F255 HydrophobicContact CB-CB 4.3Å; F234-F255 HydrophobicContact CB-CD1 3.75Å; F234-F255 HydrophobicContact CB-CD2 3.76Å; F234-F255 HydrophobicContact CB-CE1 3.94Å; F234-F255 HydrophobicContact CB-CE2 3.96Å; F234-F255 HydrophobicContact CB-CG 3.66Å; F234-F255 HydrophobicContact CB-CZ 4.04Å; F234-F255 HydrophobicContact CD2-CE2 4.13Å; F234-F255 HydrophobicContact CD2-CZ 4.07Å; F234-F255 HydrophobicContact CG-CD2 4.35Å; F234-F255 HydrophobicContact CG-CE2 4.22Å; F234-F255 HydrophobicContact CG-CZ 4.41Å; V248-F255 HydrophobicContact CG1-CE2 4.08Å; V248-F255 HydrophobicContact CG1-CZ 4.22Å; H252-F255 HydrophobicContact CB-CE1 4.28Å; H252-F255 HydrophobicContact CB-CZ 3.69Å; F255-V288 HydrophobicContact CD2-CB 4.01Å; F255-V288 HydrophobicContact CD2-CG2 4.17Å; F255-V288 WeakPolarHBondContact CD2-O 3.37Å; F255-V288 HydrophobicContact CE2-CB 4.03Å; F255-R289 PolarHBondContact N-O 2.92Å; F255-S290 CarbonylContact O-C 3.48Å; F255-S290 WeakPolarHBondContact O-CA 3.02Å; F255-R291 WeakPolarHBondContact O-CG 3.15Å; F255-R291 PolarHBondContact O-N 2.89Å
256	D	97.8	Very high	97.3	Very high	19 Å²	19	18.9 Å²	18.9	10%	0.102	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-39.8	173.8	-64.9	-86.3	0	0	0	110.9	L77 R231 R232 R291 T292	L77-D256 HydrophobicContact CD2-CB 4.1Å; R231-D256 WeakPolarHBondContact CA-OD2 3.44Å; R231-D256 WeakPolarHBondContact CD-OD1 3.36Å; R231-D256 WeakPolarHBondContact CD-OD2 3.39Å; R231-D256 IonicContact CZ-OD1 3.88Å; R231-D256 IonicContact NE-OD1 3.48Å; R231-D256 IonicContact NH1-OD1 2.83Å; R231-D256 PolarHBondContact NH1-OD1 2.87Å; R232-D256 PolarHBondContact N-OD2 2.51Å; R232-D256 PolarHBondContact O-N 2.98Å; D256-R291 IonicContact OD1-NH1 3.85Å; D256-T292 PolarHBondContact O-N 2.98Å
257	L	98.6	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.1	177.8	-172.7	67.2	0	0	0	110.2	L77 A79 R232 F233 F234 T292 L294 W338	L77-L257 HydrophobicContact CD2-CB 3.71Å; L77-L257 HydrophobicContact CD2-CD2 4.48Å; A79-L257 HydrophobicContact CB-CD2 3.58Å; R232-L257 PolarHBondContact O-N 3.28Å; F233-L257 CarbonylContact C-O 3.59Å; F233-L257 VanDerWaalsContact CA-O 3.29Å; F233-L257 WeakPolarHBondContact CA-O 3.44Å; F233-L257 HydrophobicContact CD2-CB 4.07Å; F233-L257 HydrophobicContact CD2-CD2 3.99Å; F233-L257 HydrophobicContact CD2-CG 4.08Å; F233-L257 WeakPolarHBondContact CD2-O 3.42Å; F233-L257 HydrophobicContact CE2-CD2 4.09Å; F233-L257 HydrophobicContact CE2-CG 4.29Å; F234-L257 PolarHBondContact N-O 3.11Å; L257-T292 CarbonylContact C-O 3.52Å; L257-T292 VanDerWaalsContact CA-O 3.3Å; L257-T292 WeakPolarHBondContact CA-O 3.3Å; L257-T292 HydrophobicContact CD1-CG2 4.26Å; L257-L294 HydrophobicContact CD1-CD1 4.22Å; L257-L294 HydrophobicContact CD1-CD2 4.17Å; L257-L294 HydrophobicContact CD1-CG 3.78Å; L257-L294 HydrophobicContact CD2-CD1 4.13Å; L257-L294 HydrophobicContact CG-CG 4.46Å; L257-W338 HydrophobicContact CB-CH2 3.99Å; L257-W338 HydrophobicContact CB-CZ3 4.02Å; L257-W338 HydrophobicContact CD1-CD2 3.69Å; L257-W338 HydrophobicContact CD1-CE3 3.86Å; L257-W338 HydrophobicContact CD1-CG 4.35Å; L257-W338 HydrophobicContact CD1-CH2 3.87Å; L257-W338 HydrophobicContact CD1-CZ2 3.75Å; L257-W338 HydrophobicContact CD1-CZ3 3.95Å; L257-W338 HydrophobicContact CD2-CD2 4.19Å; L257-W338 HydrophobicContact CD2-CE3 3.58Å; L257-W338 HydrophobicContact CD2-CH2 4.42Å; L257-W338 HydrophobicContact CD2-CZ3 3.72Å; L257-W338 HydrophobicContact CG-CE3 4.21Å; L257-W338 HydrophobicContact CG-CH2 4.31Å; L257-W338 HydrophobicContact CG-CZ3 4.1Å
258	A	98.9	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140	168.4	0	0	0	0	0	110.8	F234 I260 S290 T292 S293 L294	F234-A258 HydrophobicContact CB-CB 4.01Å; F234-A258 HydrophobicContact CD1-CB 3.94Å; F234-A258 HydrophobicContact CG-CB 4.48Å; F234-A258 CarbonylContact O-C 3.57Å; F234-A258 WeakPolarHBondContact O-CA 3.44Å; A258-I260 HydrophobicContact CB-CD1 4.03Å; A258-I260 HydrophobicContact CB-CG1 4.03Å; A258-S290 VanDerWaalsContact CB-OG 3.31Å; A258-S290 WeakPolarHBondContact CB-OG 3.46Å; A258-S290 PolarHBondContact N-OG 2.78Å; A258-T292 PolarHBondContact N-O 2.77Å; A258-S293 CarbonylContact O-C 3.54Å; A258-S293 WeakPolarHBondContact O-CA 3.33Å; A258-L294 PolarHBondContact O-N 3.2Å
259	A	98.9	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.6	169.9	0	0	0	0	0	108.5	V87 F233 F234 F235 A236 I296	V87-A259 HydrophobicContact CG2-CB 4.09Å; F233-A259 HydrophobicContact CE2-CB 3.86Å; F233-A259 HydrophobicContact CZ-CB 3.78Å; F234-A259 PolarHBondContact O-N 3.08Å; F235-A259 HydrophobicContact CD2-CB 4.1Å; A236-A259 PolarHBondContact N-O 3.3Å; A259-I296 HydrophobicContact CB-CD1 4.01Å; A259-I296 HydrophobicContact CB-CG2 4.06Å
260	I	98.9	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.2	-168	-55.3	174.5	0	0	0	108.9	A236 A258 A281 I284 H285 S293 L294 G295 I296 F329	A236-I260 HydrophobicContact CB-CG1 4.49Å; A236-I260 HydrophobicContact CB-CG2 4.48Å; A258-I260 HydrophobicContact CB-CD1 4.03Å; A258-I260 HydrophobicContact CB-CG1 4.03Å; I260-A281 HydrophobicContact CG2-CB 3.77Å; I260-I284 HydrophobicContact CD1-CB 4.34Å; I260-I284 HydrophobicContact CD1-CG2 3.91Å; I260-I284 HydrophobicContact CG1-CG2 4.41Å; I260-I284 HydrophobicContact CG2-CB 4.38Å; I260-I284 HydrophobicContact CG2-CD1 4.42Å; I260-I284 HydrophobicContact CG2-CG2 4.34Å; I260-H285 HydrophobicContact CD1-CB 4Å; I260-S293 WeakPolarHBondContact CD1-OG 3.34Å; I260-L294 PolarHBondContact N-O 3.31Å; I260-G295 WeakPolarHBondContact O-CA 3.29Å; I260-I296 WeakPolarHBondContact O-CG1 3.05Å; I260-I296 PolarHBondContact O-N 3.33Å; I260-F329 HydrophobicContact CB-CZ 3.91Å; I260-F329 HydrophobicContact CD1-CE1 4.21Å; I260-F329 HydrophobicContact CD1-CZ 4.26Å; I260-F329 HydrophobicContact CG2-CZ 4.25Å
261	P	98.6	Very high	96.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144	-179	30.9	-38.7	0	0	0	110.7	G237 T239 V276 I296 H297	G237-P261 VanDerWaalsContact O-CD 3.26Å; G237-P261 WeakPolarHBondContact O-CD 3.47Å; G237-P261 VanDerWaalsContact O-CG 3.23Å; G237-P261 WeakPolarHBondContact O-CG 3.46Å; T239-P261 HydrophobicContact CG2-CG 4.47Å; P261-V276 HydrophobicContact CG-CG2 3.89Å; P261-V276 WeakPolarHBondContact O-CG2 3.44Å; P261-I296 WeakPolarHBondContact CA-O 3.17Å; P261-H297 HydrophobicContact CB-CB 3.53Å
262	I	98	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.			trans	-128.9	-4.1	176.2	60	164.4	0	0	0	113.3	Y265 P278 A281 I296 W298 P312 L316 F329 T331	I262-Y265 WeakPolarHBondContact O-CD1 3.24Å; I262-Y265 WeakPolarHBondContact O-CE1 3.49Å; I262-P278 HydrophobicContact CB-CG 4.42Å; I262-A281 HydrophobicContact CG2-CB 3.88Å; I262-I296 WeakPolarHBondContact CG1-O 3.12Å; I262-I296 PolarHBondContact N-O 3.29Å; I262-W298 HydrophobicContact CD1-CG 4.17Å; I262-W298 HydrophobicContact CG1-CB 4.41Å; I262-W298 HydrophobicContact CG1-CG 4.2Å; I262-P312 HydrophobicContact CB-CB 4.28Å; I262-P312 HydrophobicContact CD1-CB 3.72Å; I262-P312 HydrophobicContact CG1-CB 3.75Å; I262-P312 WeakPolarHBondContact O-CB 3.43Å; I262-L316 HydrophobicContact CD1-CB 4.3Å; I262-L316 HydrophobicContact CD1-CD2 4.11Å; I262-L316 HydrophobicContact CG2-CD1 4.33Å; I262-L316 HydrophobicContact CG2-CD2 4.35Å; I262-F329 HydrophobicContact CG2-CE2 4.31Å; I262-F329 HydrophobicContact CG2-CZ 4.02Å; I262-T331 HydrophobicContact CD1-CG2 3.63Å
263	G	96	Very high	95.7	Very high	1 Å²	1	21 Å²	21	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	-116.1	174.5	-179.5	0	0	0	0	0	113.4	H297	G263-H297 VanDerWaalsContact CA-O 3.26Å; G263-H297 WeakPolarHBondContact CA-O 3.36Å; G263-H297 PolarHBondContact N-O 3.04Å; G263-H297 PolarHBondContact O-ND1 2.87Å; G263-H297 VanDerWaalsContact O-ND1 3.08Å
264	C	94.6	Very high	95.6	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.081	10%	0.1	C	C	.	.	S	Bend	trans	66.4	37.4	-174.9	-53	0	0	0	0	114.3	H275 H297 M303 S305 E307	C264-H275 WeakPolarHBondContact O-CB 3.16Å; C264-H275 PolarHBondContact O-CD2 3.41Å; C264-H297 PolarHBondContact SG-CE1 3.49Å; C264-M303 WeakPolarHBondContact SG-CB 3.42Å; C264-S305 VanDerWaalsContact C-OG 3.23Å; C264-S305 WeakPolarHBondContact CA-OG 3.46Å; C264-E307 WeakPolarHBondContact CA-OE1 3.39Å; C264-E307 PolarHBondContact N-OE1 3.35Å
265	Y	94.7	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.085	C	C	.	.			trans	-105.3	-12.4	-169.9	62.3	-101.8	0	0	0	114.8	I262 R268 M271 P278 S305 E307 E311 P312 K315	I262-Y265 WeakPolarHBondContact O-CD1 3.24Å; I262-Y265 WeakPolarHBondContact O-CE1 3.49Å; Y265-R268 VanDerWaalsContact O-CD 3.26Å; Y265-R268 WeakPolarHBondContact O-CD 3.45Å; Y265-R268 PolarHBondContact O-NH1 3.43Å; Y265-M271 VanDerWaalsContact O-CB 3.22Å; Y265-M271 WeakPolarHBondContact O-CB 3.49Å; Y265-P278 HydrophobicContact CE1-CG 4.09Å; Y265-S305 PolarHBondContact N-OG 3.45Å; Y265-E307 HydrophobicContact CD1-CG 4.5Å; Y265-E307 HydrophobicContact CE1-CG 3.97Å; Y265-E307 HydrophobicContact CE2-CB 4.26Å; Y265-E307 HydrophobicContact CE2-CG 4.39Å; Y265-E307 PolarHBondContact N-OE1 3.18Å; Y265-E311 WeakPolarHBondContact OH-CG 3.34Å; Y265-E311 PolarHBondContact OH-OE1 3.48Å; Y265-P312 HydrophobicContact CE1-CB 4.35Å; Y265-P312 HydrophobicContact CE1-CG 4.04Å; Y265-K315 HydrophobicContact CE2-CD 4.4Å; Y265-K315 WeakPolarHBondContact OH-CD 3.49Å
266	E	94.2	Very high	95.5	Very high	40 Å²	40	19.5 Å²	19.5	19%	0.187	9%	0.085	C	C	.	.			trans	-103.8	145.2	176.9	-65.6	-61.4	162.5	0	0	114.1	R268 M271 S305 Y306 E307	E266-R268 PolarHBondContact OE2-N 3.08Å; E266-M271 WeakPolarHBondContact O-CG 3.06Å; E266-S305 PolarHBondContact N-OG 3.37Å; E266-S305 WeakPolarHBondContact O-CA 3.3Å; E266-S305 PolarHBondContact O-OG 3.05Å; E266-Y306 PolarHBondContact O-N 3.47Å; E266-Y306 VanDerWaalsContact O-N 3.07Å; E266-E307 HydrophobicContact CB-CB 4.47Å; E266-E307 VanDerWaalsContact CB-OE2 3.29Å; E266-E307 WeakPolarHBondContact CB-OE2 3.34Å; E266-E307 HydrophobicContact CG-CB 4.18Å; E266-E307 PolarHBondContact N-OE2 3.31Å
267	P	92.9	Very high	95.5	Very high	7 Å²	7	18.7 Å²	18.7	5%	0.045	8%	0.081	C	C	.	.	S	Bend	cis	-81.2	140.4	1.3	33	-34.1	0	0	0	111.5	W269 F270 M271 Y306	P267-W269 HydrophobicContact CB-CG 4.39Å; P267-W269 VanDerWaalsContact CB-NE1 3.3Å; P267-W269 HydrophobicContact CG-CD2 4.33Å; P267-W269 HydrophobicContact CG-CZ2 3.82Å; P267-W269 VanDerWaalsContact CG-NE1 3.34Å; P267-W269 PolarHBondContact O-N 2.99Å; P267-F270 HydrophobicContact CG-CB 3.86Å; P267-F270 PolarHBondContact O-N 2.94Å; P267-M271 PolarHBondContact O-N 3.36Å; P267-Y306 HydrophobicContact CB-CD2 3.71Å; P267-Y306 HydrophobicContact CB-CE2 3.58Å; P267-Y306 HydrophobicContact CG-CD2 3.88Å; P267-Y306 HydrophobicContact CG-CE1 4.39Å; P267-Y306 HydrophobicContact CG-CE2 3.4Å
268	R	92.7	Very high	95.4	Very high	55 Å²	55	18.7 Å²	18.7	21%	0.208	8%	0.081	C	C	.	.	H	α-helix	trans	-54.1	-32	-177.9	-63.9	-49.6	-62	151.6	-9.6	114.4	Y265 E266 F270 K272 H275 E280	Y265-R268 VanDerWaalsContact O-CD 3.26Å; Y265-R268 WeakPolarHBondContact O-CD 3.45Å; Y265-R268 PolarHBondContact O-NH1 3.43Å; E266-R268 PolarHBondContact OE2-N 3.08Å; R268-F270 PolarHBondContact O-N 2.83Å; R268-K272 VanDerWaalsContact CZ-CB 3.43Å; R268-K272 WeakPolarHBondContact O-CB 3.27Å; R268-K272 VanDerWaalsContact O-CD 3.27Å; R268-K272 WeakPolarHBondContact O-CD 3.22Å; R268-K272 WeakPolarHBondContact O-CG 3.18Å; R268-K272 PolarHBondContact O-N 2.93Å; R268-H275 PolarHBondContact NH1-O 2.66Å; R268-E280 IonicContact CZ-OE2 3.47Å; R268-E280 IonicContact NH2-OE1 3.75Å; R268-E280 PolarHBondContact NH2-OE1 2.95Å; R268-E280 IonicContact NH2-OE2 3.97Å; R268-E280 PolarHBondContact NH2-OE2 3.39Å
269	W	91.1	Very high	95.4	Very high	68 Å²	68	22.5 Å²	22.5	26%	0.258	10%	0.099	S	C	.	.	H	α-helix	trans	-64.2	-24	177.9	67.1	-99.7	0	0	0	113.2	E36 R39 W40 P267 Y273	E36-W269 HydrophobicContact CB-CH2 4.39Å; E36-W269 HydrophobicContact CB-CZ3 3.91Å; E36-W269 HydrophobicContact CG-CZ3 3.95Å; E36-W269 WeakPolarHBondContact O-CH2 3.25Å; R39-W269 HydrophobicContact CB-CH2 4.14Å; R39-W269 HydrophobicContact CB-CZ2 4.46Å; R39-W269 HydrophobicContact CG-CH2 4.04Å; R39-W269 HydrophobicContact CG-CZ2 3.9Å; W40-W269 HydrophobicContact CB-CH2 4.22Å; P267-W269 HydrophobicContact CB-CG 4.39Å; P267-W269 VanDerWaalsContact CB-NE1 3.3Å; P267-W269 HydrophobicContact CG-CD2 4.33Å; P267-W269 HydrophobicContact CG-CZ2 3.82Å; P267-W269 VanDerWaalsContact CG-NE1 3.34Å; P267-W269 PolarHBondContact O-N 2.99Å; W269-Y273 WeakPolarHBondContact O-CE2 3.47Å
270	F	91.4	Very high	95.3	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-105	-44.6	-179	-170.6	-99.2	0	0	0	112.1	P32 E36 V37 W40 P267 R268 Q274	P32-F270 HydrophobicContact CB-CD2 3.96Å; P32-F270 HydrophobicContact CB-CE2 3.27Å; P32-F270 HydrophobicContact CB-CZ 3.93Å; P32-F270 HydrophobicContact CG-CD2 3.96Å; P32-F270 HydrophobicContact CG-CE1 4.5Å; P32-F270 HydrophobicContact CG-CE2 3.42Å; P32-F270 VanDerWaalsContact CG-CE2 3.42Å; P32-F270 HydrophobicContact CG-CZ 3.73Å; E36-F270 HydrophobicContact CB-CD2 4.38Å; E36-F270 HydrophobicContact CB-CE2 4.31Å; V37-F270 HydrophobicContact CG2-CE2 4.27Å; V37-F270 HydrophobicContact CG2-CZ 4.27Å; W40-F270 HydrophobicContact CB-CD1 4.31Å; W40-F270 HydrophobicContact CB-CD2 4.08Å; W40-F270 HydrophobicContact CB-CE1 4.26Å; W40-F270 HydrophobicContact CB-CE2 3.97Å; W40-F270 HydrophobicContact CB-CG 4.22Å; W40-F270 HydrophobicContact CB-CZ 4.09Å; W40-F270 AromaticContact CD1-CD1 3.9Å; W40-F270 HydrophobicContact CD2-CD1 4.34Å; W40-F270 AromaticContact CD2-CE1 3.84Å; W40-F270 HydrophobicContact CD2-CE1 3.84Å; W40-F270 HydrophobicContact CD2-CZ 4.13Å; W40-F270 HydrophobicContact CE3-CE1 4.27Å; W40-F270 HydrophobicContact CE3-CZ 4.24Å; W40-F270 AromaticContact CG-CD1 3.9Å; W40-F270 HydrophobicContact CG-CD1 3.9Å; W40-F270 AromaticContact CG-CE1 3.81Å; W40-F270 HydrophobicContact CG-CE1 3.81Å; W40-F270 HydrophobicContact CG-CE2 4.41Å; W40-F270 HydrophobicContact CG-CG 4.27Å; W40-F270 HydrophobicContact CG-CZ 4.07Å; P267-F270 HydrophobicContact CG-CB 3.86Å; P267-F270 PolarHBondContact O-N 2.94Å; R268-F270 PolarHBondContact O-N 2.83Å; F270-Q274 PolarHBondContact O-NE2 2.83Å; F270-Q274 PolarHBondContact O-OE1 3.47Å; F270-Q274 VanDerWaalsContact O-OE1 3.1Å
271	M	93.3	Very high	95.3	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.054	11%	0.111	C	C	.	.	H	α-helix	trans	-87.6	-24.4	-169.1	-70	-57.5	-168.7	0	0	114.6	W40 Y265 E266 P267 Y273 Q274 H275	W40-M271 HydrophobicContact CZ2-CE 3.95Å; Y265-M271 VanDerWaalsContact O-CB 3.22Å; Y265-M271 WeakPolarHBondContact O-CB 3.49Å; E266-M271 WeakPolarHBondContact O-CG 3.06Å; P267-M271 PolarHBondContact O-N 3.36Å; M271-Y273 PolarHBondContact O-N 3.48Å; M271-Q274 PolarHBondContact O-N 2.97Å; M271-Q274 PolarHBondContact O-OE1 3.29Å; M271-H275 PolarHBondContact O-N 3.1Å
272	K	93.8	Very high	95.3	Very high	85 Å²	85	25.1 Å²	25.1	37%	0.37	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.6	-171	73.3	-176.8	179.7	174.7	0	115.4	R268	R268-K272 VanDerWaalsContact CZ-CB 3.43Å; R268-K272 WeakPolarHBondContact O-CB 3.27Å; R268-K272 VanDerWaalsContact O-CD 3.27Å; R268-K272 WeakPolarHBondContact O-CD 3.22Å; R268-K272 WeakPolarHBondContact O-CG 3.18Å; R268-K272 PolarHBondContact O-N 2.93Å
273	Y	93.1	Very high	95.3	Very high	55 Å²	55	28.3 Å²	28.3	22%	0.216	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.6	-178.4	-51	-65	0	0	0	112.4	S27 H29 Q206 W269 M271	S27-Y273 WeakPolarHBondContact O-CD1 3.42Å; H29-Y273 HydrophobicContact CB-CD1 3.56Å; H29-Y273 HydrophobicContact CB-CD2 3.67Å; H29-Y273 HydrophobicContact CB-CE1 3.53Å; H29-Y273 HydrophobicContact CB-CE2 3.64Å; H29-Y273 HydrophobicContact CB-CG 3.61Å; H29-Y273 AromaticContact CD2-CE2 3.71Å; H29-Y273 AromaticContact CD2-CZ 3.77Å; H29-Y273 AromaticContact CG-CE2 3.9Å; H29-Y273 AromaticContact CG-CZ 3.68Å; Q206-Y273 PolarHBondContact NE2-O 3.01Å; W269-Y273 WeakPolarHBondContact O-CE2 3.47Å; M271-Y273 PolarHBondContact O-N 3.48Å
274	Q	93.8	Very high	95.4	Very high	18 Å²	18	28.2 Å²	28.2	8%	0.084	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-19.8	-175.5	62.7	-93.2	24.2	0	0	114.1	H207 T239 G240 F270 M271	H207-Q274 WeakPolarHBondContact ND1-CB 3.48Å; H207-Q274 PolarHBondContact ND1-O 2.68Å; T239-Q274 VanDerWaalsContact C-C 3.47Å; T239-Q274 CarbonylContact C-O 3.56Å; T239-Q274 WeakPolarHBondContact CA-O 3.49Å; T239-Q274 PolarHBondContact N-O 3.05Å; G240-Q274 VanDerWaalsContact N-C 3.25Å; G240-Q274 PolarHBondContact N-O 3.21Å; G240-Q274 VanDerWaalsContact N-O 3.15Å; F270-Q274 PolarHBondContact O-NE2 2.83Å; F270-Q274 PolarHBondContact O-OE1 3.47Å; F270-Q274 VanDerWaalsContact O-OE1 3.1Å; M271-Q274 PolarHBondContact O-N 2.97Å; M271-Q274 PolarHBondContact O-OE1 3.29Å
275	H	96.9	Very high	95.6	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.097	12%	0.123	C	C	.	.			trans	-137.1	128.8	178.1	-66.6	-83.3	0	0	0	111.9	D238 T239 C264 R268 M271 H297	D238-H275 IonicContact OD1-CE1 2.92Å; D238-H275 PolarHBondContact OD1-CE1 2.99Å; D238-H275 VanDerWaalsContact OD1-CE1 3.31Å; D238-H275 IonicContact OD1-ND1 3.32Å; D238-H275 PolarHBondContact OD1-ND1 2.9Å; D238-H275 IonicContact OD2-CE1 2.79Å; D238-H275 PolarHBondContact OD2-CE1 2.89Å; D238-H275 IonicContact OD2-ND1 3.12Å; D238-H275 IonicContact OD2-NE2 3.3Å; T239-H275 CarbonylContact O-C 3.6Å; T239-H275 VanDerWaalsContact O-CA 3.24Å; T239-H275 WeakPolarHBondContact O-CA 3.49Å; C264-H275 WeakPolarHBondContact O-CB 3.16Å; C264-H275 PolarHBondContact O-CD2 3.41Å; R268-H275 PolarHBondContact NH1-O 2.66Å; M271-H275 PolarHBondContact O-N 3.1Å; H275-H297 AromaticContact CE1-CE1 3.51Å; H275-H297 AromaticContact ND1-CE1 3.72Å
276	V	97.7	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.141	C	C	.	.			trans	-73.4	144	170.1	-72.1	0	0	0	0	111.9	T239 P261 E280 A281 I284	T239-V276 HydrophobicContact CG2-CG1 4.47Å; T239-V276 HydrophobicContact CG2-CG2 4.4Å; T239-V276 WeakPolarHBondContact O-CG1 3.19Å; T239-V276 PolarHBondContact O-N 3.25Å; P261-V276 HydrophobicContact CG-CG2 3.89Å; P261-V276 WeakPolarHBondContact O-CG2 3.44Å; V276-E280 VanDerWaalsContact CA-OE2 3.27Å; V276-E280 WeakPolarHBondContact CA-OE2 3.34Å; V276-E280 HydrophobicContact CB-CB 3.72Å; V276-E280 HydrophobicContact CG1-CB 3.62Å; V276-A281 HydrophobicContact CG2-CB 4.25Å; V276-I284 HydrophobicContact CG1-CD1 3.8Å; V276-I284 HydrophobicContact CG2-CD1 4.22Å
277	G	96.9	Very high	96	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	14%	0.137	C	C	.	.			trans	-86.6	173.9	162.4	0	0	0	0	0	111.7	E279 E280 A281	G277-E279 PolarHBondContact O-N 3.09Å; G277-E279 VanDerWaalsContact O-N 3.15Å; G277-E280 PolarHBondContact N-OE2 3.14Å; G277-E280 PolarHBondContact O-N 3.15Å; G277-E280 VanDerWaalsContact O-N 3.09Å; G277-A281 WeakPolarHBondContact O-CB 3.49Å; G277-A281 PolarHBondContact O-N 2.99Å
278	P	97.4	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.1	-33.1	-179.4	-29.5	37.1	0	0	0	115.1	I262 Y265 L282 K315 L316	I262-P278 HydrophobicContact CB-CG 4.42Å; Y265-P278 HydrophobicContact CE1-CG 4.09Å; P278-L282 WeakPolarHBondContact O-CB 3.39Å; P278-L282 PolarHBondContact O-N 3.13Å; P278-K315 HydrophobicContact CB-CG 4.18Å; P278-K315 HydrophobicContact CG-CB 4.03Å; P278-K315 HydrophobicContact CG-CD 4.04Å; P278-K315 HydrophobicContact CG-CG 3.94Å; P278-L316 HydrophobicContact CB-CB 4.11Å; P278-L316 HydrophobicContact CB-CD1 4.23Å
279	E	97.6	Very high	96.6	Very high	80 Å²	80	34.5 Å²	34.5	37%	0.374	15%	0.149	S	C	.	.	H	α-helix	trans	-64.3	-47.6	175.5	-66.3	68	-149.6	0	0	112.4	G277 L282 Q283 K315 T319	G277-E279 PolarHBondContact O-N 3.09Å; G277-E279 VanDerWaalsContact O-N 3.15Å; E279-L282 PolarHBondContact O-N 3.02Å; E279-Q283 PolarHBondContact O-N 3.43Å; E279-Q283 VanDerWaalsContact O-N 3.13Å; E279-K315 VanDerWaalsContact CD-CE 3.44Å; E279-K315 WeakPolarHBondContact OE1-CE 3.42Å; E279-K315 IonicContact OE1-NZ 3.7Å; E279-K315 WeakPolarHBondContact OE2-CE 3.41Å; E279-K315 IonicContact OE2-NZ 3.55Å; E279-K315 PolarHBondContact OE2-NZ 3.23Å; E279-T319 HydrophobicContact CB-CG2 4.47Å; E279-T319 HydrophobicContact CG-CG2 3.9Å; E279-T319 PolarHBondContact OE1-OG1 2.94Å; E279-T319 VanDerWaalsContact OE1-OG1 3.05Å
280	E	98.1	Very high	96.9	Very high	57 Å²	57	31.7 Å²	31.7	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-72.9	-34.2	179.1	-72.9	165.8	179.4	0	0	110.9	R268 V276 G277 L282 Q283 I284	R268-E280 IonicContact CZ-OE2 3.47Å; R268-E280 IonicContact NH2-OE1 3.75Å; R268-E280 PolarHBondContact NH2-OE1 2.95Å; R268-E280 IonicContact NH2-OE2 3.97Å; R268-E280 PolarHBondContact NH2-OE2 3.39Å; V276-E280 VanDerWaalsContact CA-OE2 3.27Å; V276-E280 WeakPolarHBondContact CA-OE2 3.34Å; V276-E280 HydrophobicContact CB-CB 3.72Å; V276-E280 HydrophobicContact CG1-CB 3.62Å; G277-E280 PolarHBondContact N-OE2 3.14Å; G277-E280 PolarHBondContact O-N 3.15Å; G277-E280 VanDerWaalsContact O-N 3.09Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-L282 PolarHBondContact O-N 3.38Å; E280-Q283 CarbonylContact O-C 3.55Å; E280-Q283 WeakPolarHBondContact O-CA 3.49Å; E280-Q283 WeakPolarHBondContact O-CB 3.24Å; E280-Q283 PolarHBondContact O-N 3.28Å; E280-Q283 VanDerWaalsContact O-N 3.1Å; E280-I284 WeakPolarHBondContact O-CG1 3.38Å; E280-I284 PolarHBondContact O-N 2.77Å
281	A	98.7	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-45.6	171.6	0	0	0	0	0	111	I260 I262 V276 G277 Q283 I284 H285 F329	I260-A281 HydrophobicContact CG2-CB 3.77Å; I262-A281 HydrophobicContact CG2-CB 3.88Å; V276-A281 HydrophobicContact CG2-CB 4.25Å; G277-A281 WeakPolarHBondContact O-CB 3.49Å; G277-A281 PolarHBondContact O-N 2.99Å; A281-Q283 PolarHBondContact O-N 3.02Å; A281-I284 WeakPolarHBondContact O-CB 3.2Å; A281-I284 PolarHBondContact O-N 3.45Å; A281-I284 VanDerWaalsContact O-N 3.13Å; A281-H285 PolarHBondContact O-N 3.06Å; A281-F329 HydrophobicContact CB-CE1 4Å; A281-F329 HydrophobicContact CB-CZ 4Å; A281-F329 WeakPolarHBondContact O-CE1 3.47Å
282	L	98.4	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-33.3	173.7	-89	160.2	0	0	0	112.5	P278 E279 E280 H285 K286 L316 T319 A320 L325 F329	P278-L282 WeakPolarHBondContact O-CB 3.39Å; P278-L282 PolarHBondContact O-N 3.13Å; E279-L282 PolarHBondContact O-N 3.02Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-L282 PolarHBondContact O-N 3.38Å; L282-H285 WeakPolarHBondContact O-CB 2.85Å; L282-K286 WeakPolarHBondContact O-CG 3.5Å; L282-K286 PolarHBondContact O-N 2.83Å; L282-L316 HydrophobicContact CD1-CD1 4.06Å; L282-L316 HydrophobicContact CG-CD1 3.97Å; L282-T319 HydrophobicContact CD1-CG2 3.42Å; L282-T319 VanDerWaalsContact CD1-CG2 3.42Å; L282-A320 HydrophobicContact CD1-CB 4.14Å; L282-A320 HydrophobicContact CD2-CB 4.15Å; L282-L325 HydrophobicContact CD2-CB 4.14Å; L282-L325 HydrophobicContact CD2-CD1 3.92Å; L282-F329 HydrophobicContact CD2-CB 3.98Å; L282-F329 HydrophobicContact CD2-CD1 3.62Å; L282-F329 HydrophobicContact CD2-CG 4.22Å; L282-F329 HydrophobicContact CG-CD1 3.84Å; L282-F329 HydrophobicContact CG-CE1 4.31Å
283	Q	98.4	Very high	97.6	Very high	66 Å²	66	32.5 Å²	32.5	31%	0.308	14%	0.14	S	C	.	.	H	α-helix	trans	-67.8	-44.1	173.1	-170.5	52.8	50.8	0	0	111.2	Y241 E279 E280 A281 H285 K286 D287	Y241-Q283 HydrophobicContact CD2-CG 4.43Å; Y241-Q283 HydrophobicContact CE2-CB 4.14Å; Y241-Q283 HydrophobicContact CE2-CG 3.62Å; E279-Q283 PolarHBondContact O-N 3.43Å; E279-Q283 VanDerWaalsContact O-N 3.13Å; E280-Q283 CarbonylContact O-C 3.55Å; E280-Q283 WeakPolarHBondContact O-CA 3.49Å; E280-Q283 WeakPolarHBondContact O-CB 3.24Å; E280-Q283 PolarHBondContact O-N 3.28Å; E280-Q283 VanDerWaalsContact O-N 3.1Å; A281-Q283 PolarHBondContact O-N 3.02Å; Q283-H285 VanDerWaalsContact C-N 3.34Å; Q283-H285 PolarHBondContact O-N 3.34Å; Q283-K286 WeakPolarHBondContact O-CB 3.33Å; Q283-K286 PolarHBondContact O-N 2.93Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.49Å; Q283-D287 PolarHBondContact NE2-OD1 3.05Å; Q283-D287 PolarHBondContact NE2-OD2 3.39Å; Q283-D287 WeakPolarHBondContact O-CB 3.25Å; Q283-D287 VanDerWaalsContact O-CG 3.3Å; Q283-D287 PolarHBondContact O-N 3.32Å
284	I	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-47.5	172.5	-64.5	176.2	0	0	0	110.7	F234 T239 Y241 F245 I260 V276 E280 A281 K286 D287 V288	F234-I284 HydrophobicContact CE1-CG2 4.18Å; T239-I284 HydrophobicContact CG2-CD1 3.87Å; Y241-I284 HydrophobicContact CD2-CG1 3.89Å; Y241-I284 HydrophobicContact CE2-CG1 4.3Å; F245-I284 HydrophobicContact CD1-CG2 4.15Å; F245-I284 HydrophobicContact CD2-CD1 3.92Å; F245-I284 HydrophobicContact CD2-CG1 3.61Å; F245-I284 HydrophobicContact CD2-CG2 4.47Å; F245-I284 HydrophobicContact CE1-CG2 4.42Å; F245-I284 HydrophobicContact CE2-CD1 3.44Å; F245-I284 VanDerWaalsContact CE2-CD1 3.44Å; F245-I284 HydrophobicContact CE2-CG1 3.71Å; F245-I284 HydrophobicContact CG-CG1 4.14Å; F245-I284 HydrophobicContact CG-CG2 4.2Å; F245-I284 HydrophobicContact CZ-CD1 3.8Å; F245-I284 HydrophobicContact CZ-CG1 4.34Å; I260-I284 HydrophobicContact CD1-CB 4.34Å; I260-I284 HydrophobicContact CD1-CG2 3.91Å; I260-I284 HydrophobicContact CG1-CG2 4.41Å; I260-I284 HydrophobicContact CG2-CB 4.38Å; I260-I284 HydrophobicContact CG2-CD1 4.42Å; I260-I284 HydrophobicContact CG2-CG2 4.34Å; V276-I284 HydrophobicContact CG1-CD1 3.8Å; V276-I284 HydrophobicContact CG2-CD1 4.22Å; E280-I284 WeakPolarHBondContact O-CG1 3.38Å; E280-I284 PolarHBondContact O-N 2.77Å; A281-I284 WeakPolarHBondContact O-CB 3.2Å; A281-I284 PolarHBondContact O-N 3.45Å; A281-I284 VanDerWaalsContact O-N 3.13Å; I284-K286 PolarHBondContact O-N 3.18Å; I284-D287 PolarHBondContact O-N 2.94Å; I284-D287 VanDerWaalsContact O-N 3.09Å; I284-V288 HydrophobicContact CG2-CG1 3.9Å; I284-V288 VanDerWaalsContact O-CG2 3.3Å; I284-V288 WeakPolarHBondContact O-CG2 3.48Å; I284-V288 PolarHBondContact O-N 3.29Å
285	H	98.7	Very high	98.1	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-49.9	-45.4	177.2	163.5	84	0	0	0	112.1	I260 A281 L282 Q283 R289 S290 S293 A328 F329	I260-H285 HydrophobicContact CD1-CB 4Å; A281-H285 PolarHBondContact O-N 3.06Å; L282-H285 WeakPolarHBondContact O-CB 2.85Å; Q283-H285 VanDerWaalsContact C-N 3.34Å; Q283-H285 PolarHBondContact O-N 3.34Å; H285-R289 PolarHBondContact O-N 3.32Å; H285-S290 PolarHBondContact CE1-O 3.07Å; H285-S290 PolarHBondContact O-N 3.14Å; H285-S293 WeakPolarHBondContact ND1-CB 3.22Å; H285-S293 PolarHBondContact ND1-OG 3.04Å; H285-A328 PolarHBondContact CE1-O 3.44Å; H285-F329 HydrophobicContact CB-CD1 3.68Å; H285-F329 HydrophobicContact CB-CE1 3.9Å
286	K	98.6	Very high	98.2	Very high	86 Å²	86	28.2 Å²	28.2	37%	0.374	12%	0.123	S	C	.	.	H	α-helix	trans	-69.5	-46.1	176.8	-65.5	173.3	-174.9	177.3	0	112.5	L282 Q283 I284 R289 L325	L282-K286 WeakPolarHBondContact O-CG 3.5Å; L282-K286 PolarHBondContact O-N 2.83Å; Q283-K286 WeakPolarHBondContact O-CB 3.33Å; Q283-K286 PolarHBondContact O-N 2.93Å; I284-K286 PolarHBondContact O-N 3.18Å; K286-R289 WeakPolarHBondContact O-CA 3.07Å; K286-R289 PolarHBondContact O-N 3.29Å; K286-L325 HydrophobicContact CG-CD1 4.45Å
287	D	98.5	Very high	98.2	Very high	18 Å²	18	28.3 Å²	28.3	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-68.3	-38	-173.5	-70.8	-31.7	0	0	0	112.2	Y241 F245 K246 G249 Q283 I284 R289	Y241-D287 WeakPolarHBondContact CE2-OD2 3.26Å; Y241-D287 PolarHBondContact OH-OD2 2.75Å; F245-D287 HydrophobicContact CB-CB 3.96Å; F245-D287 CarbonylContact O-C 3.53Å; K246-D287 WeakPolarHBondContact CE-OD1 3.41Å; K246-D287 HydrophobicContact CG-CB 3.79Å; K246-D287 VanDerWaalsContact CG-CG 3.45Å; K246-D287 VanDerWaalsContact CG-OD1 3.31Å; K246-D287 WeakPolarHBondContact CG-OD1 3.36Å; G249-D287 WeakPolarHBondContact CA-O 3.4Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.49Å; Q283-D287 PolarHBondContact NE2-OD1 3.05Å; Q283-D287 PolarHBondContact NE2-OD2 3.39Å; Q283-D287 WeakPolarHBondContact O-CB 3.25Å; Q283-D287 VanDerWaalsContact O-CG 3.3Å; Q283-D287 PolarHBondContact O-N 3.32Å; I284-D287 PolarHBondContact O-N 2.94Å; I284-D287 VanDerWaalsContact O-N 3.09Å; D287-R289 PolarHBondContact O-N 2.85Å
288	V	98.6	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.4	171.5	-51.6	0	0	0	0	112.3	F234 F245 V248 G249 F255 I284 S290	F234-V288 HydrophobicContact CD1-CB 4.48Å; F234-V288 HydrophobicContact CD1-CG1 4.26Å; F234-V288 HydrophobicContact CD1-CG2 4.13Å; F234-V288 HydrophobicContact CE1-CG1 3.89Å; F234-V288 HydrophobicContact CE1-CG2 4.48Å; F234-V288 HydrophobicContact CE2-CG1 4.42Å; F234-V288 HydrophobicContact CZ-CG1 3.99Å; F245-V288 HydrophobicContact CB-CG1 4.15Å; F245-V288 HydrophobicContact CD1-CG1 4.13Å; V248-V288 HydrophobicContact CG1-CG1 4.35Å; G249-V288 WeakPolarHBondContact CA-O 3.48Å; F255-V288 HydrophobicContact CD2-CB 4.01Å; F255-V288 HydrophobicContact CD2-CG2 4.17Å; F255-V288 WeakPolarHBondContact CD2-O 3.37Å; F255-V288 HydrophobicContact CE2-CB 4.03Å; I284-V288 HydrophobicContact CG2-CG1 3.9Å; I284-V288 VanDerWaalsContact O-CG2 3.3Å; I284-V288 WeakPolarHBondContact O-CG2 3.48Å; I284-V288 PolarHBondContact O-N 3.29Å; V288-S290 VanDerWaalsContact C-N 3.34Å; V288-S290 PolarHBondContact O-N 3.41Å
289	R	98.5	Very high	98	Very high	132 Å²	132	30 Å²	30	50%	0.498	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	45	180	-55.4	171.3	65.6	-172.1	2.4	111.8	G249 P254 F255 H285 K286 D287	G249-R289 WeakPolarHBondContact O-CD 3.21Å; P254-R289 WeakPolarHBondContact CA-O 3.48Å; P254-R289 HydrophobicContact CB-CB 4.2Å; P254-R289 WeakPolarHBondContact CB-O 3.2Å; F255-R289 PolarHBondContact N-O 2.92Å; H285-R289 PolarHBondContact O-N 3.32Å; K286-R289 WeakPolarHBondContact O-CA 3.07Å; K286-R289 PolarHBondContact O-N 3.29Å; D287-R289 PolarHBondContact O-N 2.85Å
290	S	98.4	Very high	97.9	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.1	176.1	-158.8	0	0	0	0	110.8	F255 A258 H285 V288 T292	F255-S290 CarbonylContact O-C 3.48Å; F255-S290 WeakPolarHBondContact O-CA 3.02Å; A258-S290 VanDerWaalsContact CB-OG 3.31Å; A258-S290 WeakPolarHBondContact CB-OG 3.46Å; A258-S290 PolarHBondContact N-OG 2.78Å; H285-S290 PolarHBondContact CE1-O 3.07Å; H285-S290 PolarHBondContact O-N 3.14Å; V288-S290 VanDerWaalsContact C-N 3.34Å; V288-S290 PolarHBondContact O-N 3.41Å; S290-T292 PolarHBondContact OG-O 2.96Å
291	R	97	Very high	97.7	Very high	120 Å²	120	24.1 Å²	24.1	45%	0.453	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-42.1	171.9	-65.1	-179.5	66.3	-168.9	-5.2	110.8	F255 D256 D342	F255-R291 WeakPolarHBondContact O-CG 3.15Å; F255-R291 PolarHBondContact O-N 2.89Å; D256-R291 IonicContact OD1-NH1 3.85Å; R291-D342 IonicContact CZ-OD2 3.67Å; R291-D342 VanDerWaalsContact CZ-OD2 3.3Å; R291-D342 IonicContact NH1-OD2 3.08Å; R291-D342 PolarHBondContact NH1-OD2 3.01Å; R291-D342 VanDerWaalsContact NH2-CG 3.33Å; R291-D342 IonicContact NH2-OD1 3.31Å; R291-D342 PolarHBondContact NH2-OD1 2.87Å; R291-D342 VanDerWaalsContact NH2-OD1 3.12Å; R291-D342 IonicContact NH2-OD2 3.89Å; R291-D342 PolarHBondContact NH2-OD2 3.25Å
292	T	97.9	Very high	97.2	Very high	10 Å²	10	29.4 Å²	29.4	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.1	173.8	-54.8	0	0	0	0	110.7	D256 L257 A258 S290 A328 W338	D256-T292 PolarHBondContact O-N 2.98Å; L257-T292 CarbonylContact C-O 3.52Å; L257-T292 VanDerWaalsContact CA-O 3.3Å; L257-T292 WeakPolarHBondContact CA-O 3.3Å; L257-T292 HydrophobicContact CD1-CG2 4.26Å; A258-T292 PolarHBondContact N-O 2.77Å; S290-T292 PolarHBondContact OG-O 2.96Å; T292-A328 CarbonylContact C-O 3.45Å; T292-A328 WeakPolarHBondContact CA-O 3.47Å; T292-W338 HydrophobicContact CG2-CZ2 4.09Å
293	S	98.7	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.3	174.5	-72.7	0	0	0	0	111.6	A258 I260 H285 A328 F329 I330	A258-S293 CarbonylContact O-C 3.54Å; A258-S293 WeakPolarHBondContact O-CA 3.33Å; I260-S293 WeakPolarHBondContact CD1-OG 3.34Å; H285-S293 WeakPolarHBondContact ND1-CB 3.22Å; H285-S293 PolarHBondContact ND1-OG 3.04Å; S293-A328 PolarHBondContact N-O 3.45Å; S293-F329 VanDerWaalsContact CB-CD2 3.49Å; S293-F329 WeakPolarHBondContact O-CA 3.27Å; S293-F329 WeakPolarHBondContact O-CD2 3.25Å; S293-I330 PolarHBondContact O-N 2.96Å
294	L	98.6	Very high	95.7	Very high	3 Å²	3	29 Å²	29	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	170	-54.6	-177.2	0	0	0	109.1	A79 L257 A258 I260 I296 I330 L332 W338	A79-L294 HydrophobicContact CB-CD1 4.19Å; L257-L294 HydrophobicContact CD1-CD1 4.22Å; L257-L294 HydrophobicContact CD1-CD2 4.17Å; L257-L294 HydrophobicContact CD1-CG 3.78Å; L257-L294 HydrophobicContact CD2-CD1 4.13Å; L257-L294 HydrophobicContact CG-CG 4.46Å; A258-L294 PolarHBondContact O-N 3.2Å; I260-L294 PolarHBondContact N-O 3.31Å; L294-I296 HydrophobicContact CB-CG2 4.38Å; L294-I296 PolarHBondContact O-N 2.74Å; L294-I330 WeakPolarHBondContact CA-O 3.08Å; L294-I330 HydrophobicContact CD2-CD1 4.01Å; L294-I330 HydrophobicContact CD2-CG1 3.82Å; L294-L332 HydrophobicContact CD1-CD1 3.88Å; L294-L332 HydrophobicContact CD2-CD1 3.93Å; L294-L332 HydrophobicContact CD2-CG 4.06Å; L294-L332 HydrophobicContact CG-CD1 4.48Å; L294-W338 HydrophobicContact CD1-CB 4.18Å; L294-W338 HydrophobicContact CD2-CB 4.06Å; L294-W338 HydrophobicContact CD2-CG 3.93Å
295	G	98.4	Very high	95.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	112	172.3	0	0	0	0	0	109.6	I260 W298 I330	I260-G295 WeakPolarHBondContact O-CA 3.29Å; G295-W298 PolarHBondContact O-NE1 2.96Å; G295-I330 PolarHBondContact N-O 3.2Å
296	I	98.5	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-173.7	-178.4	67.6	172.2	0	0	0	110.7	H84 V87 F235 A259 I260 P261 I262 L294 W298	H84-I296 WeakPolarHBondContact O-CB 3.38Å; V87-I296 HydrophobicContact CG2-CG2 4.02Å; F235-I296 HydrophobicContact CD2-CD1 4.13Å; F235-I296 HydrophobicContact CE2-CD1 3.59Å; A259-I296 HydrophobicContact CB-CD1 4.01Å; A259-I296 HydrophobicContact CB-CG2 4.06Å; I260-I296 WeakPolarHBondContact O-CG1 3.05Å; I260-I296 PolarHBondContact O-N 3.33Å; P261-I296 WeakPolarHBondContact CA-O 3.17Å; I262-I296 WeakPolarHBondContact CG1-O 3.12Å; I262-I296 PolarHBondContact N-O 3.29Å; L294-I296 HydrophobicContact CB-CG2 4.38Å; L294-I296 PolarHBondContact O-N 2.74Å; I296-W298 PolarHBondContact O-N 2.73Å
297	H	97.3	Very high	94.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	12%	0.12	C	C	.	.	S	Bend	trans	64.3	36.1	174.2	-159.7	-101.1	0	0	0	114	H84 S85 D141 H142 D238 P261 G263 C264 H275	H84-H297 AromaticContact CE1-CD2 3.09Å; H84-H297 PolarHBondContact CE1-CD2 3.03Å; H84-H297 AromaticContact CE1-CE1 3.94Å; H84-H297 AromaticContact CE1-NE2 3Å; H84-H297 PolarHBondContact CE1-NE2 2.98Å; H84-H297 AromaticContact ND1-CD2 3.66Å; H84-H297 AromaticContact ND1-NE2 3.97Å; H84-H297 AromaticContact NE2-CD2 3.32Å; H84-H297 PolarHBondContact NE2-CD2 3.47Å; H84-H297 VanDerWaalsContact NE2-CD2 3.32Å; H84-H297 AromaticContact NE2-NE2 3.29Å; H84-H297 PolarHBondContact NE2-NE2 3.26Å; H84-H297 PolarHBondContact O-N 3.21Å; S85-H297 PolarHBondContact OG-CD2 3.33Å; D141-H297 IonicContact OD2-NE2 3.45Å; H142-H297 AromaticContact NE2-CD2 3.94Å; H142-H297 AromaticContact NE2-NE2 3.79Å; D238-H297 IonicContact OD1-CD2 2.66Å; D238-H297 PolarHBondContact OD1-CD2 3.43Å; D238-H297 IonicContact OD1-CE1 3.84Å; D238-H297 PolarHBondContact OD1-CE1 3.16Å; D238-H297 IonicContact OD1-CG 2.99Å; D238-H297 IonicContact OD1-ND1 3.79Å; D238-H297 IonicContact OD1-NE2 3.37Å; D238-H297 PolarHBondContact OD1-NE2 2.59Å; D238-H297 IonicContact OD2-NE2 3.89Å; P261-H297 HydrophobicContact CB-CB 3.53Å; G263-H297 VanDerWaalsContact CA-O 3.26Å; G263-H297 WeakPolarHBondContact CA-O 3.36Å; G263-H297 PolarHBondContact N-O 3.04Å; G263-H297 PolarHBondContact O-ND1 2.87Å; G263-H297 VanDerWaalsContact O-ND1 3.08Å; C264-H297 PolarHBondContact SG-CE1 3.49Å; H275-H297 AromaticContact CE1-CE1 3.51Å; H275-H297 AromaticContact ND1-CE1 3.72Å
298	W	95.8	Very high	94	Very high	31 Å²	31	28.3 Å²	28.3	12%	0.117	13%	0.129	C	C	.	.			trans	-140.2	162.3	176.3	69.2	-85.2	0	0	0	111.9	W81 I262 G295 I296 T300 P312 P313 T331 L332	W81-W298 AromaticContact CH2-CD1 3.82Å; W81-W298 AromaticContact CH2-CD2 3.78Å; W81-W298 HydrophobicContact CH2-CD2 3.78Å; W81-W298 AromaticContact CH2-CE2 3.32Å; W81-W298 HydrophobicContact CH2-CE3 4.48Å; W81-W298 HydrophobicContact CH2-CG 4.07Å; W81-W298 HydrophobicContact CH2-CH2 4.39Å; W81-W298 AromaticContact CH2-CZ2 3.68Å; W81-W298 HydrophobicContact CH2-CZ2 3.68Å; W81-W298 AromaticContact CH2-NE1 3.35Å; W81-W298 VanDerWaalsContact CH2-NE1 3.35Å; W81-W298 WeakPolarHBondContact CH2-O 3.3Å; W81-W298 HydrophobicContact CZ2-CG 4.47Å; W81-W298 AromaticContact CZ2-NE1 3.87Å; W81-W298 WeakPolarHBondContact CZ2-O 3.36Å; W81-W298 HydrophobicContact CZ3-CD2 4.47Å; W81-W298 AromaticContact CZ3-CE2 3.64Å; W81-W298 HydrophobicContact CZ3-CH2 4.22Å; W81-W298 AromaticContact CZ3-CZ2 3.5Å; W81-W298 HydrophobicContact CZ3-CZ2 3.5Å; W81-W298 AromaticContact CZ3-NE1 3.81Å; I262-W298 HydrophobicContact CD1-CG 4.17Å; I262-W298 HydrophobicContact CG1-CB 4.41Å; I262-W298 HydrophobicContact CG1-CG 4.2Å; G295-W298 PolarHBondContact O-NE1 2.96Å; I296-W298 PolarHBondContact O-N 2.73Å; W298-T300 PolarHBondContact O-N 3.46Å; W298-T300 PolarHBondContact O-OG1 2.88Å; W298-P312 HydrophobicContact CB-CB 3.78Å; W298-P312 HydrophobicContact CB-CG 3.82Å; W298-P312 HydrophobicContact CG-CB 4.23Å; W298-P313 HydrophobicContact CD2-CG 3.37Å; W298-P313 VanDerWaalsContact CE2-CG 3.44Å; W298-P313 HydrophobicContact CE3-CG 3.29Å; W298-P313 HydrophobicContact CG-CG 4.21Å; W298-P313 HydrophobicContact CH2-CB 4.36Å; W298-P313 HydrophobicContact CH2-CG 3.4Å; W298-P313 HydrophobicContact CZ2-CB 4.34Å; W298-P313 HydrophobicContact CZ2-CG 3.46Å; W298-P313 VanDerWaalsContact CZ2-CG 3.46Å; W298-P313 HydrophobicContact CZ3-CG 3.31Å; W298-T331 HydrophobicContact CZ2-CG2 4.24Å; W298-L332 WeakPolarHBondContact CZ2-O 3.5Å
299	G	94.4	Very high	93.6	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	14%	0.141	C	C	.	.	S	Bend	trans	61.8	11.3	169.9	0	0	0	0	0	117.1	Q334	G299-Q334 PolarHBondContact O-NE2 3.32Å; G299-Q334 VanDerWaalsContact O-NE2 3.07Å
300	T	95.7	Very high	93.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.119	C	C	.	.	S	Bend	trans	-114.5	-44.1	-172.9	-49.1	0	0	0	0	112.7	G83 H84 R116 I117 W298 Q334	G83-T300 WeakPolarHBondContact CA-OG1 3.49Å; H84-T300 HydrophobicContact CB-CG2 3.97Å; H84-T300 PolarHBondContact N-OG1 2.82Å; R116-T300 CarbonylContact C-O 3.48Å; R116-T300 VanDerWaalsContact CA-O 3.28Å; R116-T300 WeakPolarHBondContact CA-O 3.44Å; R116-T300 HydrophobicContact CG-CG2 4.34Å; R116-T300 VanDerWaalsContact CG-O 3.32Å; R116-T300 WeakPolarHBondContact CG-O 3.31Å; I117-T300 WeakPolarHBondContact CG1-O 3.44Å; I117-T300 PolarHBondContact N-O 3.06Å; W298-T300 PolarHBondContact O-N 3.46Å; W298-T300 PolarHBondContact O-OG1 2.88Å; T300-Q334 PolarHBondContact OG1-NE2 3.41Å; T300-Q334 VanDerWaalsContact OG1-NE2 3.14Å
301	Y	94	Very high	93	Very high	13 Å²	13	23.6 Å²	23.6	5%	0.051	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-131.1	150.6	177.4	-60.1	-84.6	0	0	0	111.2	H84 I101 S103 C106 K115 R116 M303	H84-Y301 HydrophobicContact CB-CD2 3.98Å; H84-Y301 HydrophobicContact CB-CE2 3.79Å; H84-Y301 AromaticContact CG-CD2 3.79Å; H84-Y301 AromaticContact CG-CE2 3.95Å; H84-Y301 AromaticContact ND1-CD2 3.68Å; I101-Y301 HydrophobicContact CD1-CE1 4.5Å; I101-Y301 HydrophobicContact CD1-CE2 4.1Å; I101-Y301 HydrophobicContact CG1-CE2 4.46Å; I101-Y301 WeakPolarHBondContact CG1-OH 3.45Å; I101-Y301 HydrophobicContact CG2-CE2 4.08Å; S103-Y301 PolarHBondContact O-OH 2.83Å; C106-Y301 WeakPolarHBondContact SG-CD1 2.8Å; C106-Y301 WeakPolarHBondContact SG-CE1 3.38Å; C106-Y301 VanDerWaalsContact SG-CG 3.59Å; K115-Y301 WeakPolarHBondContact O-CA 3.33Å; R116-Y301 VanDerWaalsContact CA-CD1 3.47Å; R116-Y301 HydrophobicContact CB-CD1 3.88Å; R116-Y301 HydrophobicContact CB-CE1 3.54Å; R116-Y301 HydrophobicContact CG-CD1 4.2Å; R116-Y301 HydrophobicContact CG-CE1 3.73Å; Y301-M303 HydrophobicContact CG-SD 4.43Å; Y301-M303 PolarHBondContact O-N 2.89Å
302	E	87.3	Confident	92.9	Very high	111 Å²	111	18 Å²	18	52%	0.519	10%	0.096	S	C	.	.			trans	-85.8	82	169.7	-162.8	-168.2	162.1	0	0	110.8	K45 K115 I117 G304	K45-E302 IonicContact NZ-OE1 2.8Å; K45-E302 PolarHBondContact NZ-OE1 2.81Å; K115-E302 PolarHBondContact O-N 2.84Å; I117-E302 HydrophobicContact CG2-CB 4.38Å; E302-G304 PolarHBondContact O-N 3.47Å
303	M	85.4	Confident	92.8	Very high	40 Å²	40	18.5 Å²	18.5	20%	0.197	10%	0.099	C	C	.	.			trans	-77.9	19.5	-171.3	-63.3	-62	-70.2	0	0	115.3	P114 D141 C264 Y301 S305	P114-M303 HydrophobicContact CB-SD 3.57Å; P114-M303 VanDerWaalsContact CB-SD 3.57Å; P114-M303 HydrophobicContact CG-CE 4.3Å; P114-M303 HydrophobicContact CG-SD 3.66Å; D141-M303 HydrophobicContact CB-CE 3.84Å; D141-M303 HydrophobicContact CB-SD 4.35Å; D141-M303 WeakPolarHBondContact OD2-CE 3.31Å; C264-M303 WeakPolarHBondContact SG-CB 3.42Å; Y301-M303 HydrophobicContact CG-SD 4.43Å; Y301-M303 PolarHBondContact O-N 2.89Å; M303-S305 PolarHBondContact O-N 2.88Å
304	G	80.2	Confident	92.5	Very high	17 Å²	17	20 Å²	20	18%	0.175	11%	0.11	C	C	.	.	S	Bend	trans	78	-3.4	177.4	0	0	0	0	0	115.9	W40 E302	W40-G304 WeakPolarHBondContact CZ2-O 3.43Å; W40-G304 PolarHBondContact NE1-O 3.25Å; E302-G304 PolarHBondContact O-N 3.47Å
305	S	86.6	Confident	92.4	Very high	10 Å²	10	21.9 Å²	21.9	7%	0.07	12%	0.118	C	C	.	.			trans	-63.4	160.6	172.8	-149.5	0	0	0	0	112.6	K45 C264 Y265 E266 M303 E307	K45-S305 WeakPolarHBondContact CD-O 3.26Å; C264-S305 VanDerWaalsContact C-OG 3.23Å; C264-S305 WeakPolarHBondContact CA-OG 3.46Å; Y265-S305 PolarHBondContact N-OG 3.45Å; E266-S305 PolarHBondContact N-OG 3.37Å; E266-S305 WeakPolarHBondContact O-CA 3.3Å; E266-S305 PolarHBondContact O-OG 3.05Å; M303-S305 PolarHBondContact O-N 2.88Å; S305-E307 VanDerWaalsContact CB-OE1 3.29Å; S305-E307 WeakPolarHBondContact CB-OE1 3.2Å; S305-E307 VanDerWaalsContact CB-OE2 3.25Å; S305-E307 WeakPolarHBondContact CB-OE2 3.27Å; S305-E307 PolarHBondContact OG-OE1 3.06Å; S305-E307 VanDerWaalsContact OG-OE1 3.04Å; S305-E307 PolarHBondContact OG-OE2 2.87Å
306	Y	90.7	Very high	92.3	Very high	10 Å²	10	21.9 Å²	21.9	4%	0.039	12%	0.118	C	C	.	.	S	Bend	trans	-89.3	-25.6	-176.1	-64.6	-0.3	0	0	0	114.3	W40 Q43 K45 N46 E266 P267	W40-Y306 WeakPolarHBondContact CA-OH 3.34Å; W40-Y306 AromaticContact CD1-CE1 3.55Å; W40-Y306 AromaticContact CD1-CZ 3.89Å; W40-Y306 HydrophobicContact CG-CE1 4.49Å; W40-Y306 AromaticContact NE1-CE1 3.84Å; W40-Y306 VanDerWaalsContact O-CE1 3.27Å; W40-Y306 WeakPolarHBondContact O-CE1 2.96Å; W40-Y306 PolarHBondContact O-OH 2.64Å; Q43-Y306 HydrophobicContact CB-CE2 4.15Å; Q43-Y306 VanDerWaalsContact CB-OH 3.32Å; Q43-Y306 WeakPolarHBondContact CB-OH 3.17Å; Q43-Y306 VanDerWaalsContact CD-CE2 3.44Å; Q43-Y306 HydrophobicContact CG-CE2 3.61Å; K45-Y306 HydrophobicContact CG-CD1 3.94Å; N46-Y306 WeakPolarHBondContact CA-O 3.47Å; N46-Y306 VanDerWaalsContact CB-O 3.22Å; N46-Y306 WeakPolarHBondContact CB-O 3.48Å; N46-Y306 PolarHBondContact N-O 3.17Å; E266-Y306 PolarHBondContact O-N 3.47Å; E266-Y306 VanDerWaalsContact O-N 3.07Å; P267-Y306 HydrophobicContact CB-CD2 3.71Å; P267-Y306 HydrophobicContact CB-CE2 3.58Å; P267-Y306 HydrophobicContact CG-CD2 3.88Å; P267-Y306 HydrophobicContact CG-CE1 4.39Å; P267-Y306 HydrophobicContact CG-CE2 3.4Å
307	E	91.7	Very high	92.1	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.093	14%	0.141	C	C	.	.	S	Bend	trans	-64.1	151.6	176.8	73.3	-75.2	177.1	0	0	111.1	C264 Y265 E266 S305 E311 P312	C264-E307 WeakPolarHBondContact CA-OE1 3.39Å; C264-E307 PolarHBondContact N-OE1 3.35Å; Y265-E307 HydrophobicContact CD1-CG 4.5Å; Y265-E307 HydrophobicContact CE1-CG 3.97Å; Y265-E307 HydrophobicContact CE2-CB 4.26Å; Y265-E307 HydrophobicContact CE2-CG 4.39Å; Y265-E307 PolarHBondContact N-OE1 3.18Å; E266-E307 HydrophobicContact CB-CB 4.47Å; E266-E307 VanDerWaalsContact CB-OE2 3.29Å; E266-E307 WeakPolarHBondContact CB-OE2 3.34Å; E266-E307 HydrophobicContact CG-CB 4.18Å; E266-E307 PolarHBondContact N-OE2 3.31Å; S305-E307 VanDerWaalsContact CB-OE1 3.29Å; S305-E307 WeakPolarHBondContact CB-OE1 3.2Å; S305-E307 VanDerWaalsContact CB-OE2 3.25Å; S305-E307 WeakPolarHBondContact CB-OE2 3.27Å; S305-E307 PolarHBondContact OG-OE1 3.06Å; S305-E307 VanDerWaalsContact OG-OE1 3.04Å; S305-E307 PolarHBondContact OG-OE2 2.87Å; E307-E311 HydrophobicContact CB-CB 4.22Å; E307-E311 WeakPolarHBondContact CB-OE1 3.42Å; E307-P312 HydrophobicContact CG-CG 4.4Å
308	H	91	Very high	92	Very high	59 Å²	59	27.5 Å²	27.5	27%	0.273	16%	0.164	S	C	.	.			trans	-66	144.6	172.3	-172.8	-96.5	0	0	0	109.9	R47 T310 E311 P312	R47-H308 PolarHBondContact O-CD2 3.49Å; H308-T310 PolarHBondContact CE1-OG1 3.4Å; H308-T310 VanDerWaalsContact CE1-OG1 3.32Å; H308-T310 PolarHBondContact ND1-N 3.03Å; H308-T310 PolarHBondContact ND1-OG1 3Å; H308-T310 PolarHBondContact O-N 2.93Å; H308-E311 HydrophobicContact CB-CB 4.34Å; H308-E311 WeakPolarHBondContact O-CB 3.32Å; H308-E311 PolarHBondContact O-N 3.05Å; H308-P312 WeakPolarHBondContact O-CD 3.27Å
309	A	89.7	Confident	92.1	Very high	31 Å²	31	27 Å²	27	26%	0.256	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.7	-173.9	0	0	0	0	0	114.9	L57 I117	L57-A309 HydrophobicContact CD2-CB 3.84Å; I117-A309 HydrophobicContact CD1-CB 3.66Å
310	T	89.6	Confident	92.2	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.037	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.1	176.4	69.6	0	0	0	0	113.6	H55 L57 H308 P313	H55-T310 HydrophobicContact CB-CG2 3.77Å; H55-T310 WeakPolarHBondContact CB-OG1 3.2Å; L57-T310 HydrophobicContact CD2-CG2 3.59Å; L57-T310 HydrophobicContact CG-CG2 3.96Å; H308-T310 PolarHBondContact CE1-OG1 3.4Å; H308-T310 VanDerWaalsContact CE1-OG1 3.32Å; H308-T310 PolarHBondContact ND1-N 3.03Å; H308-T310 PolarHBondContact ND1-OG1 3Å; H308-T310 PolarHBondContact O-N 2.93Å; T310-P313 WeakPolarHBondContact O-CD 3.06Å
311	E	94	Very high	92.2	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-41.5	178.3	-169.9	178.1	111.5	0	0	113.1	S50 Y265 E307 H308 C314 K315	S50-E311 PolarHBondContact N-OE2 2.99Å; S50-E311 VanDerWaalsContact N-OE2 3.13Å; Y265-E311 WeakPolarHBondContact OH-CG 3.34Å; Y265-E311 PolarHBondContact OH-OE1 3.48Å; E307-E311 HydrophobicContact CB-CB 4.22Å; E307-E311 WeakPolarHBondContact CB-OE1 3.42Å; H308-E311 HydrophobicContact CB-CB 4.34Å; H308-E311 WeakPolarHBondContact O-CB 3.32Å; H308-E311 PolarHBondContact O-N 3.05Å; E311-C314 WeakPolarHBondContact O-CB 3.28Å; E311-C314 PolarHBondContact O-N 3.22Å; E311-K315 PolarHBondContact O-N 3.11Å
312	P	95.4	Very high	92.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-54	-48.4	-174.3	-27.4	34.7	0	0	0	115	I262 Y265 W298 E307 H308 C314 K315 L316	I262-P312 HydrophobicContact CB-CB 4.28Å; I262-P312 HydrophobicContact CD1-CB 3.72Å; I262-P312 HydrophobicContact CG1-CB 3.75Å; I262-P312 WeakPolarHBondContact O-CB 3.43Å; Y265-P312 HydrophobicContact CE1-CB 4.35Å; Y265-P312 HydrophobicContact CE1-CG 4.04Å; W298-P312 HydrophobicContact CB-CB 3.78Å; W298-P312 HydrophobicContact CB-CG 3.82Å; W298-P312 HydrophobicContact CG-CB 4.23Å; E307-P312 HydrophobicContact CG-CG 4.4Å; H308-P312 WeakPolarHBondContact O-CD 3.27Å; P312-C314 PolarHBondContact O-N 2.98Å; P312-K315 PolarHBondContact O-N 3.3Å; P312-L316 VanDerWaalsContact O-CB 3.3Å; P312-L316 WeakPolarHBondContact O-CB 3.46Å; P312-L316 PolarHBondContact O-N 2.85Å
313	P	94.9	Very high	92.9	Very high	20 Å²	20	35.7 Å²	35.7	13%	0.13	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-39.6	176.4	-21.4	33	0	0	0	113.2	W298 T310 L316 A317 T331	W298-P313 HydrophobicContact CD2-CG 3.37Å; W298-P313 VanDerWaalsContact CE2-CG 3.44Å; W298-P313 HydrophobicContact CE3-CG 3.29Å; W298-P313 HydrophobicContact CG-CG 4.21Å; W298-P313 HydrophobicContact CH2-CB 4.36Å; W298-P313 HydrophobicContact CH2-CG 3.4Å; W298-P313 HydrophobicContact CZ2-CB 4.34Å; W298-P313 HydrophobicContact CZ2-CG 3.46Å; W298-P313 VanDerWaalsContact CZ2-CG 3.46Å; W298-P313 HydrophobicContact CZ3-CG 3.31Å; T310-P313 WeakPolarHBondContact O-CD 3.06Å; P313-L316 PolarHBondContact O-N 2.83Å; P313-A317 VanDerWaalsContact O-CB 3.31Å; P313-A317 WeakPolarHBondContact O-CB 3.42Å; P313-A317 PolarHBondContact O-N 3.21Å; P313-T331 HydrophobicContact CB-CG2 3.99Å; P313-T331 HydrophobicContact CG-CG2 4.28Å
314	C	93.9	Very high	93.4	Very high	33 Å²	33	42.6 Å²	42.6	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-46.9	-178.7	-175.3	0	0	0	0	110.6	C51 E311 P312 A317 A318	C51-C314 VanDerWaalsContact CB-SG 3.59Å; C51-C314 VanDerWaalsContact SG-SG 3.6Å; E311-C314 WeakPolarHBondContact O-CB 3.28Å; E311-C314 PolarHBondContact O-N 3.22Å; P312-C314 PolarHBondContact O-N 2.98Å; C314-A317 PolarHBondContact O-N 3.44Å; C314-A318 PolarHBondContact O-N 3.38Å
315	K	95.3	Very high	94.2	Very high	41 Å²	41	43.5 Å²	43.5	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-41.3	177.9	-173.5	172.4	177.6	-175.8	0	111.6	Y265 P278 E279 E311 P312 A317 A318 T319	Y265-K315 HydrophobicContact CE2-CD 4.4Å; Y265-K315 WeakPolarHBondContact OH-CD 3.49Å; P278-K315 HydrophobicContact CB-CG 4.18Å; P278-K315 HydrophobicContact CG-CB 4.03Å; P278-K315 HydrophobicContact CG-CD 4.04Å; P278-K315 HydrophobicContact CG-CG 3.94Å; E279-K315 VanDerWaalsContact CD-CE 3.44Å; E279-K315 WeakPolarHBondContact OE1-CE 3.42Å; E279-K315 IonicContact OE1-NZ 3.7Å; E279-K315 WeakPolarHBondContact OE2-CE 3.41Å; E279-K315 IonicContact OE2-NZ 3.55Å; E279-K315 PolarHBondContact OE2-NZ 3.23Å; E311-K315 PolarHBondContact O-N 3.11Å; P312-K315 PolarHBondContact O-N 3.3Å; K315-A317 PolarHBondContact O-N 2.92Å; K315-A318 PolarHBondContact O-N 3.28Å; K315-T319 WeakPolarHBondContact O-CB 3.44Å; K315-T319 PolarHBondContact O-N 3.04Å; K315-T319 PolarHBondContact O-OG1 3.04Å
316	L	97	Very high	94.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-48.7	173	-178.2	71.4	0	0	0	111.4	I262 P278 L282 P312 P313 A318 T319 A320 F329 T331	I262-L316 HydrophobicContact CD1-CB 4.3Å; I262-L316 HydrophobicContact CD1-CD2 4.11Å; I262-L316 HydrophobicContact CG2-CD1 4.33Å; I262-L316 HydrophobicContact CG2-CD2 4.35Å; P278-L316 HydrophobicContact CB-CB 4.11Å; P278-L316 HydrophobicContact CB-CD1 4.23Å; L282-L316 HydrophobicContact CD1-CD1 4.06Å; L282-L316 HydrophobicContact CG-CD1 3.97Å; P312-L316 VanDerWaalsContact O-CB 3.3Å; P312-L316 WeakPolarHBondContact O-CB 3.46Å; P312-L316 PolarHBondContact O-N 2.85Å; P313-L316 PolarHBondContact O-N 2.83Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 3.36Å; L316-T319 PolarHBondContact O-N 3.37Å; L316-A320 WeakPolarHBondContact O-CB 3.4Å; L316-A320 PolarHBondContact O-N 2.98Å; L316-F329 HydrophobicContact CD1-CD1 4.06Å; L316-F329 HydrophobicContact CD1-CD2 4.11Å; L316-F329 HydrophobicContact CD1-CE1 4.1Å; L316-F329 HydrophobicContact CD1-CE2 4.14Å; L316-F329 HydrophobicContact CD1-CG 4.04Å; L316-F329 HydrophobicContact CD1-CZ 4.13Å; L316-F329 HydrophobicContact CD2-CD2 3.64Å; L316-F329 HydrophobicContact CD2-CE2 3.76Å; L316-F329 HydrophobicContact CD2-CG 4.28Å; L316-F329 HydrophobicContact CD2-CZ 4.49Å; L316-F329 HydrophobicContact CG-CD2 4.42Å; L316-T331 HydrophobicContact CD2-CG2 3.85Å
317	A	95.3	Very high	94.7	Very high	58 Å²	58	52.4 Å²	52.4	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-42.6	-179.8	0	0	0	0	0	111.9	P313 C314 K315 K321	P313-A317 VanDerWaalsContact O-CB 3.31Å; P313-A317 WeakPolarHBondContact O-CB 3.42Å; P313-A317 PolarHBondContact O-N 3.21Å; C314-A317 PolarHBondContact O-N 3.44Å; K315-A317 PolarHBondContact O-N 2.92Å; A317-K321 WeakPolarHBondContact O-CB 3.33Å; A317-K321 PolarHBondContact O-N 3.45Å
318	A	95.2	Very high	94.9	Very high	61 Å²	61	52.4 Å²	52.4	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-49.1	176.1	0	0	0	0	0	112	C314 K315 L316 K321 A322	C314-A318 PolarHBondContact O-N 3.38Å; K315-A318 PolarHBondContact O-N 3.28Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 3.36Å; A318-K321 PolarHBondContact O-N 3.19Å; A318-A322 PolarHBondContact O-N 3.35Å
319	T	95.9	Very high	95.2	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.129	28%	0.283	C	S	.	.	H	α-helix	trans	-69	-36.9	-177.8	-56.1	0	0	0	0	111.9	E279 L282 K315 L316 Q323	E279-T319 HydrophobicContact CB-CG2 4.47Å; E279-T319 HydrophobicContact CG-CG2 3.9Å; E279-T319 PolarHBondContact OE1-OG1 2.94Å; E279-T319 VanDerWaalsContact OE1-OG1 3.05Å; L282-T319 HydrophobicContact CD1-CG2 3.42Å; L282-T319 VanDerWaalsContact CD1-CG2 3.42Å; K315-T319 WeakPolarHBondContact O-CB 3.44Å; K315-T319 PolarHBondContact O-N 3.04Å; K315-T319 PolarHBondContact O-OG1 3.04Å; L316-T319 PolarHBondContact O-N 3.37Å; T319-Q323 WeakPolarHBondContact O-CG 3.15Å; T319-Q323 PolarHBondContact O-N 2.88Å
320	A	97.3	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-45.1	176	0	0	0	0	0	111	L282 L316 A322 Q323 K324 L325	L282-A320 HydrophobicContact CD1-CB 4.14Å; L282-A320 HydrophobicContact CD2-CB 4.15Å; L316-A320 WeakPolarHBondContact O-CB 3.4Å; L316-A320 PolarHBondContact O-N 2.98Å; A320-A322 VanDerWaalsContact C-N 3.34Å; A320-A322 PolarHBondContact O-N 2.82Å; A320-Q323 CarbonylContact O-C 3.53Å; A320-Q323 WeakPolarHBondContact O-CA 3.35Å; A320-Q323 PolarHBondContact O-N 3.37Å; A320-K324 PolarHBondContact O-N 2.88Å; A320-L325 HydrophobicContact CB-CB 4.47Å; A320-L325 PolarHBondContact O-N 2.81Å
321	K	96.8	Very high	95.9	Very high	149 Å²	149	52.4 Å²	52.4	65%	0.648	29%	0.294	S	S	*	.	H	α-helix	trans	-60	-42.3	175.6	-176.4	178.4	-178.9	178.1	0	112.4	A317 A318 Q323 K324 E326	A317-K321 WeakPolarHBondContact O-CB 3.33Å; A317-K321 PolarHBondContact O-N 3.45Å; A318-K321 PolarHBondContact O-N 3.19Å; K321-Q323 PolarHBondContact O-N 3.34Å; K321-Q323 VanDerWaalsContact O-N 3.13Å; K321-K324 PolarHBondContact O-N 3.07Å; K321-K324 VanDerWaalsContact O-N 3.14Å; K321-E326 WeakPolarHBondContact CA-OE2 3.32Å; K321-E326 HydrophobicContact CB-CB 4.46Å
322	A	97.1	Very high	96	Very high	87 Å²	87	52.7 Å²	52.7	72%	0.719	30%	0.295	S	S	*	.	H	α-helix	trans	-59.9	-24.1	176.2	0	0	0	0	0	112.8	A318 A320	A318-A322 PolarHBondContact O-N 3.35Å; A320-A322 VanDerWaalsContact C-N 3.34Å; A320-A322 PolarHBondContact O-N 2.82Å
323	Q	96.9	Very high	96	Very high	75 Å²	75	53.1 Å²	53.1	35%	0.35	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	5.9	-179.5	-60.4	-174	44.9	0	0	113.7	T319 A320 K321 L325	T319-Q323 WeakPolarHBondContact O-CG 3.15Å; T319-Q323 PolarHBondContact O-N 2.88Å; A320-Q323 CarbonylContact O-C 3.53Å; A320-Q323 WeakPolarHBondContact O-CA 3.35Å; A320-Q323 PolarHBondContact O-N 3.37Å; K321-Q323 PolarHBondContact O-N 3.34Å; K321-Q323 VanDerWaalsContact O-N 3.13Å; Q323-L325 VanDerWaalsContact C-N 3.29Å; Q323-L325 HydrophobicContact CB-CD1 4.2Å; Q323-L325 HydrophobicContact CB-CG 4.37Å; Q323-L325 PolarHBondContact O-N 2.51Å
324	K	96.7	Very high	96.1	Very high	185 Å²	185	52.4 Å²	52.4	80%	0.804	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	37	-176.3	-54.5	178.7	-179.6	178.4	0	113.5	A320 K321 E326	A320-K324 PolarHBondContact O-N 2.88Å; K321-K324 PolarHBondContact O-N 3.07Å; K321-K324 VanDerWaalsContact O-N 3.14Å; K324-E326 WeakPolarHBondContact CA-OE2 3.47Å
325	L	96.5	Very high	96.3	Very high	37 Å²	37	51 Å²	51	19%	0.194	29%	0.285	C	S	.	.			trans	-117.8	11.6	-179.3	-68	174.2	0	0	0	112.7	L282 K286 A320 Q323 N327 A328 F329	L282-L325 HydrophobicContact CD2-CB 4.14Å; L282-L325 HydrophobicContact CD2-CD1 3.92Å; K286-L325 HydrophobicContact CG-CD1 4.45Å; A320-L325 HydrophobicContact CB-CB 4.47Å; A320-L325 PolarHBondContact O-N 2.81Å; Q323-L325 VanDerWaalsContact C-N 3.29Å; Q323-L325 HydrophobicContact CB-CD1 4.2Å; Q323-L325 HydrophobicContact CB-CG 4.37Å; Q323-L325 PolarHBondContact O-N 2.51Å; L325-N327 PolarHBondContact O-N 2.9Å; L325-N327 VanDerWaalsContact O-N 3.14Å; L325-A328 HydrophobicContact CB-CB 4.47Å; L325-A328 HydrophobicContact CD2-CB 4.11Å; L325-A328 PolarHBondContact O-N 2.85Å; L325-F329 PolarHBondContact O-N 3.13Å
326	E	94.5	Very high	96.4	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.2	-176.2	61.4	-90.6	-147.3	0	0	114.2	K321 K324 I330	K321-E326 WeakPolarHBondContact CA-OE2 3.32Å; K321-E326 HydrophobicContact CB-CB 4.46Å; K324-E326 WeakPolarHBondContact CA-OE2 3.47Å; E326-I330 WeakPolarHBondContact O-CG2 3.29Å
327	N	93.7	Very high	96.4	Very high	125 Å²	125	53.9 Å²	53.9	67%	0.668	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.7	174.6	-64.2	-32.2	0	0	0	113	L325	L325-N327 PolarHBondContact O-N 2.9Å; L325-N327 VanDerWaalsContact O-N 3.14Å
328	A	96.5	Very high	96.6	Very high	21 Å²	21	51.8 Å²	51.8	17%	0.174	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-23.9	-177.4	0	0	0	0	0	112.2	H285 T292 S293 L325	H285-A328 PolarHBondContact CE1-O 3.44Å; T292-A328 CarbonylContact C-O 3.45Å; T292-A328 WeakPolarHBondContact CA-O 3.47Å; S293-A328 PolarHBondContact N-O 3.45Å; L325-A328 HydrophobicContact CB-CB 4.47Å; L325-A328 HydrophobicContact CD2-CB 4.11Å; L325-A328 PolarHBondContact O-N 2.85Å
329	F	97.9	Very high	96.4	Very high	4 Å²	4	55 Å²	55	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	104.9	175.2	-159.4	158	0	0	0	109.8	I260 I262 A281 L282 H285 S293 L316 L325	I260-F329 HydrophobicContact CB-CZ 3.91Å; I260-F329 HydrophobicContact CD1-CE1 4.21Å; I260-F329 HydrophobicContact CD1-CZ 4.26Å; I260-F329 HydrophobicContact CG2-CZ 4.25Å; I262-F329 HydrophobicContact CG2-CE2 4.31Å; I262-F329 HydrophobicContact CG2-CZ 4.02Å; A281-F329 HydrophobicContact CB-CE1 4Å; A281-F329 HydrophobicContact CB-CZ 4Å; A281-F329 WeakPolarHBondContact O-CE1 3.47Å; L282-F329 HydrophobicContact CD2-CB 3.98Å; L282-F329 HydrophobicContact CD2-CD1 3.62Å; L282-F329 HydrophobicContact CD2-CG 4.22Å; L282-F329 HydrophobicContact CG-CD1 3.84Å; L282-F329 HydrophobicContact CG-CE1 4.31Å; H285-F329 HydrophobicContact CB-CD1 3.68Å; H285-F329 HydrophobicContact CB-CE1 3.9Å; S293-F329 VanDerWaalsContact CB-CD2 3.49Å; S293-F329 WeakPolarHBondContact O-CA 3.27Å; S293-F329 WeakPolarHBondContact O-CD2 3.25Å; L316-F329 HydrophobicContact CD1-CD1 4.06Å; L316-F329 HydrophobicContact CD1-CD2 4.11Å; L316-F329 HydrophobicContact CD1-CE1 4.1Å; L316-F329 HydrophobicContact CD1-CE2 4.14Å; L316-F329 HydrophobicContact CD1-CG 4.04Å; L316-F329 HydrophobicContact CD1-CZ 4.13Å; L316-F329 HydrophobicContact CD2-CD2 3.64Å; L316-F329 HydrophobicContact CD2-CE2 3.76Å; L316-F329 HydrophobicContact CD2-CG 4.28Å; L316-F329 HydrophobicContact CD2-CZ 4.49Å; L316-F329 HydrophobicContact CG-CD2 4.42Å; L325-F329 PolarHBondContact O-N 3.13Å
330	I	96.9	Very high	95.8	Very high	46 Å²	46	54.4 Å²	54.4	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	168.9	-172	63.2	169.8	0	0	0	111.3	S293 L294 G295 E326 L332	S293-I330 PolarHBondContact O-N 2.96Å; L294-I330 WeakPolarHBondContact CA-O 3.08Å; L294-I330 HydrophobicContact CD2-CD1 4.01Å; L294-I330 HydrophobicContact CD2-CG1 3.82Å; G295-I330 PolarHBondContact N-O 3.2Å; E326-I330 WeakPolarHBondContact O-CG2 3.29Å; I330-L332 HydrophobicContact CD1-CD2 4.02Å
331	T	96.7	Very high	94.8	Very high	46 Å²	46	61.9 Å²	61.9	28%	0.282	31%	0.312	S	S	.	.			trans	-116	157.6	163.1	49.7	0	0	0	0	108.7	I262 W298 P313 L316	I262-T331 HydrophobicContact CD1-CG2 3.63Å; W298-T331 HydrophobicContact CZ2-CG2 4.24Å; P313-T331 HydrophobicContact CB-CG2 3.99Å; P313-T331 HydrophobicContact CG-CG2 4.28Å; L316-T331 HydrophobicContact CD2-CG2 3.85Å
332	L	96.1	Very high	94.1	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	30%	0.296	C	S	.	.			trans	-118.6	158.2	176.2	-61.2	177.5	0	0	0	109	W81 L294 W298 I330 E336 W338	W81-L332 HydrophobicContact CB-CB 4.43Å; W81-L332 HydrophobicContact CB-CD1 4.18Å; W81-L332 HydrophobicContact CE3-CB 4.39Å; W81-L332 WeakPolarHBondContact CZ3-O 3.44Å; L294-L332 HydrophobicContact CD1-CD1 3.88Å; L294-L332 HydrophobicContact CD2-CD1 3.93Å; L294-L332 HydrophobicContact CD2-CG 4.06Å; L294-L332 HydrophobicContact CG-CD1 4.48Å; W298-L332 WeakPolarHBondContact CZ2-O 3.5Å; I330-L332 HydrophobicContact CD1-CD2 4.02Å; L332-E336 WeakPolarHBondContact CA-OE2 3.2Å; L332-E336 HydrophobicContact CB-CB 4.17Å; L332-E336 HydrophobicContact CD2-CG 4.28Å; L332-W338 HydrophobicContact CD1-CB 3.81Å; L332-W338 HydrophobicContact CD2-CB 4.47Å
333	A	95.9	Very high	93	Very high	12 Å²	12	59.2 Å²	59.2	10%	0.099	29%	0.288	C	S	.	.			trans	-67.1	152.7	158.7	0	0	0	0	0	110.7	P59 L61 G335 E336	P59-A333 HydrophobicContact CG-CB 3.95Å; P59-A333 VanDerWaalsContact O-CB 3.25Å; P59-A333 WeakPolarHBondContact O-CB 3.46Å; L61-A333 HydrophobicContact CD1-CB 4.48Å; L61-A333 HydrophobicContact CG-CB 4.46Å; A333-G335 PolarHBondContact O-N 3.09Å; A333-E336 HydrophobicContact CB-CB 4.07Å; A333-E336 PolarHBondContact N-OE2 2.78Å; A333-E336 VanDerWaalsContact O-CB 3.24Å; A333-E336 WeakPolarHBondContact O-CB 3.48Å; A333-E336 PolarHBondContact O-N 2.76Å
334	Q	96.8	Very high	92	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.019	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-66.8	127.7	173.5	-62.6	177.6	36.3	0	0	109.2	Y60 L61 W81 S118 P121 G299 T300	Y60-Q334 HydrophobicContact CD1-CB 4.22Å; L61-Q334 PolarHBondContact N-O 2.8Å; W81-Q334 HydrophobicContact CD2-CG 4.48Å; W81-Q334 HydrophobicContact CE3-CG 3.92Å; W81-Q334 HydrophobicContact CH2-CG 4Å; W81-Q334 HydrophobicContact CZ3-CG 3.65Å; W81-Q334 CarbonylContact O-C 3.58Å; W81-Q334 WeakPolarHBondContact O-CA 3.25Å; S118-Q334 PolarHBondContact OG-NE2 2.79Å; S118-Q334 PolarHBondContact OG-OE1 3.09Å; P121-Q334 HydrophobicContact CG-CB 4.24Å; G299-Q334 PolarHBondContact O-NE2 3.32Å; G299-Q334 VanDerWaalsContact O-NE2 3.07Å; T300-Q334 PolarHBondContact OG1-NE2 3.41Å; T300-Q334 VanDerWaalsContact OG1-NE2 3.14Å
335	G	97.3	Very high	90.4	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	-6	-173.1	0	0	0	0	0	114.7	W81 A333	W81-G335 PolarHBondContact O-N 3.38Å; A333-G335 PolarHBondContact O-N 3.09Å
336	E	97.4	Very high	88.5	Confident	75 Å²	75	64.7 Å²	64.7	35%	0.35	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76.4	144.6	177.3	-174.5	177.6	-167	0	0	112.1	L61 I80 W81 L332 A333	L61-E336 HydrophobicContact CD1-CB 3.83Å; L61-E336 HydrophobicContact CD1-CG 4.23Å; I80-E336 WeakPolarHBondContact CA-O 3.35Å; W81-E336 PolarHBondContact N-O 2.75Å; L332-E336 WeakPolarHBondContact CA-OE2 3.2Å; L332-E336 HydrophobicContact CB-CB 4.17Å; L332-E336 HydrophobicContact CD2-CG 4.28Å; A333-E336 HydrophobicContact CB-CB 4.07Å; A333-E336 PolarHBondContact N-OE2 2.78Å; A333-E336 VanDerWaalsContact O-CB 3.24Å; A333-E336 WeakPolarHBondContact O-CB 3.48Å; A333-E336 PolarHBondContact O-N 2.76Å
337	I	97.9	Very high	88.2	Confident	29 Å²	29	63.9 Å²	63.9	15%	0.149	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.6	177.9	-53.7	166.2	0	0	0	109.6	D64 E67 A68 L71 A79 I80	D64-I337 HydrophobicContact CB-CD1 4.17Å; D64-I337 WeakPolarHBondContact O-CD1 3.37Å; E67-I337 HydrophobicContact CB-CD1 3.81Å; E67-I337 HydrophobicContact CG-CD1 3.88Å; A68-I337 HydrophobicContact CB-CD1 4.2Å; A68-I337 HydrophobicContact CB-CG1 4.29Å; A68-I337 HydrophobicContact CB-CG2 4.21Å; L71-I337 HydrophobicContact CD1-CG2 3.78Å; A79-I337 CarbonylContact O-C 3.39Å; A79-I337 WeakPolarHBondContact O-CA 3.42Å; I80-I337 HydrophobicContact CD1-CG1 4.15Å; I80-I337 HydrophobicContact CG1-CB 4.38Å; I80-I337 HydrophobicContact CG1-CG1 3.75Å
338	W	97.6	Very high	87.9	Confident	14 Å²	14	60.7 Å²	60.7	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.8	158	177.1	77.5	0	0	0	110.9	L77 A79 L257 T292 L294 L332 P340	L77-W338 HydrophobicContact CD2-CH2 4.34Å; L77-W338 HydrophobicContact CD2-CZ3 3.93Å; L77-W338 HydrophobicContact CG-CZ3 4.08Å; A79-W338 HydrophobicContact CB-CB 4.48Å; A79-W338 HydrophobicContact CB-CE3 4.39Å; A79-W338 PolarHBondContact N-O 2.84Å; A79-W338 VanDerWaalsContact N-O 3.15Å; A79-W338 PolarHBondContact O-N 3.02Å; L257-W338 HydrophobicContact CB-CH2 3.99Å; L257-W338 HydrophobicContact CB-CZ3 4.02Å; L257-W338 HydrophobicContact CD1-CD2 3.69Å; L257-W338 HydrophobicContact CD1-CE3 3.86Å; L257-W338 HydrophobicContact CD1-CG 4.35Å; L257-W338 HydrophobicContact CD1-CH2 3.87Å; L257-W338 HydrophobicContact CD1-CZ2 3.75Å; L257-W338 HydrophobicContact CD1-CZ3 3.95Å; L257-W338 HydrophobicContact CD2-CD2 4.19Å; L257-W338 HydrophobicContact CD2-CE3 3.58Å; L257-W338 HydrophobicContact CD2-CH2 4.42Å; L257-W338 HydrophobicContact CD2-CZ3 3.72Å; L257-W338 HydrophobicContact CG-CE3 4.21Å; L257-W338 HydrophobicContact CG-CH2 4.31Å; L257-W338 HydrophobicContact CG-CZ3 4.1Å; T292-W338 HydrophobicContact CG2-CZ2 4.09Å; L294-W338 HydrophobicContact CD1-CB 4.18Å; L294-W338 HydrophobicContact CD2-CB 4.06Å; L294-W338 HydrophobicContact CD2-CG 3.93Å; L332-W338 HydrophobicContact CD1-CB 3.81Å; L332-W338 HydrophobicContact CD2-CB 4.47Å; W338-P340 HydrophobicContact CH2-CB 4.04Å; W338-P340 HydrophobicContact CH2-CG 3.72Å; W338-P340 HydrophobicContact CZ2-CB 4.48Å; W338-P340 HydrophobicContact CZ3-CG 3.72Å
339	K	91.8	Very high	87.4	Confident	128 Å²	128	62.9 Å²	62.9	56%	0.557	31%	0.313	S	S	*	.			trans	-119.2	138.4	175.5	64.8	-172	177.4	-170.7	0	110.9	L71	L71-K339 HydrophobicContact CD1-CB 3.98Å; L71-K339 HydrophobicContact CD2-CB 4.27Å
340	P	83	Confident	86.8	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.058	33%	0.33	C	S	.	.			trans	-64	155.6	171.9	-18.8	30.7	0	0	0	111.9	H75 L77 W338	H75-P340 HydrophobicContact CB-CB 4.02Å; H75-P340 HydrophobicContact CB-CG 3.68Å; L77-P340 HydrophobicContact CB-CG 4.34Å; L77-P340 WeakPolarHBondContact O-CD 3.39Å; L77-P340 WeakPolarHBondContact O-CG 3.24Å; W338-P340 HydrophobicContact CH2-CB 4.04Å; W338-P340 HydrophobicContact CH2-CG 3.72Å; W338-P340 HydrophobicContact CZ2-CB 4.48Å; W338-P340 HydrophobicContact CZ3-CG 3.72Å
341	F	77.2	Confident	86.2	Confident	158 Å²	158	67.6 Å²	67.6	69%	0.693	34%	0.336	S	S	*	.	S	Bend	trans	-76.3	-34.7	175.2	-67.6	-75.9	0	0	0	112.9
342	D	81.4	Confident	85.5	Confident	59 Å²	59	69.1 Å²	69.1	32%	0.316	34%	0.34	S	S	.	.	S	Bend	trans	-107.6	136.2	-170.6	17.2	-58.9	0	0	0	111.9	H75 R231 R291	H75-D342 PolarHBondContact ND1-O 2.96Å; H75-D342 VanDerWaalsContact ND1-O 3.13Å; R231-D342 IonicContact NH1-OD2 2.86Å; R231-D342 PolarHBondContact NH2-O 3.2Å; R231-D342 IonicContact NH2-OD2 3.28Å; R291-D342 IonicContact CZ-OD2 3.67Å; R291-D342 VanDerWaalsContact CZ-OD2 3.3Å; R291-D342 IonicContact NH1-OD2 3.08Å; R291-D342 PolarHBondContact NH1-OD2 3.01Å; R291-D342 VanDerWaalsContact NH2-CG 3.33Å; R291-D342 IonicContact NH2-OD1 3.31Å; R291-D342 PolarHBondContact NH2-OD1 2.87Å; R291-D342 VanDerWaalsContact NH2-OD1 3.12Å; R291-D342 IonicContact NH2-OD2 3.89Å; R291-D342 PolarHBondContact NH2-OD2 3.25Å
343	E	73.6	Confident	84.7	Confident	120 Å²	120	73.1 Å²	73.1	56%	0.561	36%	0.36	S	S	*	.			trans	-76	148	171.2	-68.8	-179.9	-164.8	0	0	110.8	K74 H75	K74-E343 WeakPolarHBondContact CE-OE1 3.26Å; K74-E343 HydrophobicContact CG-CG 4.38Å; K74-E343 IonicContact NZ-OE1 3.48Å; K74-E343 PolarHBondContact NZ-OE1 3.47Å; H75-E343 WeakPolarHBondContact CE1-CG 3.27Å
344	I	75.7	Confident	83.9	Confident	26 Å²	26	77.8 Å²	77.8	13%	0.133	38%	0.38	C	S	.	.			trans	-75	139.5	172.9	50.8	164.9	0	0	0	109.5	K74 H75 M92 Q230 T346	K74-I344 WeakPolarHBondContact O-CG1 3.22Å; H75-I344 WeakPolarHBondContact O-CG2 3.46Å; M92-I344 HydrophobicContact SD-CD1 3.96Å; Q230-I344 VanDerWaalsContact OE1-CG2 3.3Å; I344-T346 HydrophobicContact CD1-CG2 4.47Å; I344-T346 PolarHBondContact O-N 3.5Å
345	K	64.5	Low	82.8	Confident	200 Å²	200	84 Å²	84	87%	0.87	41%	0.41	S	S	*	.			trans	-80	106.4	167.6	-66.9	-177	-179.8	-179.4	0	107.1
346	T	56.4	Low	81.5	Confident	187 Å²	187	91.4 Å²	91.4	100%	1.147	44%	0.444	S	S	*	.			trans	-70.6	0	172.4	53.1	0	0	0	0	111.5	I344	I344-T346 HydrophobicContact CD1-CG2 4.47Å; I344-T346 PolarHBondContact O-N 3.5Å

Retrieved 346 of 346 residues in 2323.6 ms (Link to these results)

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