A0A5K4F620_SCHMA Loading...

Bifunctional polynucleotide phosphatase/kinase

AlphaFold DB , UniProt , Accession A0A5K4F620, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 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	35.9	Very low	33.2	Very low	247 Å²	247	169.3 Å²	169.3	100%	1.217	87%	0.869	S	S	*	*				0	128.5	0	-97.2	166.8	151.1	0	0	109
2	K	35.5	Very low	33.1	Very low	217 Å²	217	166.2 Å²	166.2	94%	0.943	86%	0.864	S	S	*	*			trans	-30.1	117.7	-166.3	-65.8	171.7	177.3	178.6	0	116.8
3	R	35.4	Very low	32.8	Very low	252 Å²	252	162.2 Å²	162.2	95%	0.951	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-102.5	125.1	154.2	-83	-174.4	174.2	-178.2	-1.8	108.4
4	Q	33.3	Very low	32.8	Very low	185 Å²	185	164.3 Å²	164.3	86%	0.864	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-63.2	148	-176.4	-66.8	166.6	-36.2	0	0	112
5	P	36.2	Very low	32.6	Very low	128 Å²	128	161.6 Å²	161.6	83%	0.831	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-83.6	133.1	166.8	31.9	-26.9	0	0	0	110.3
6	S	36.3	Very low	32.6	Very low	125 Å²	125	164.2 Å²	164.2	87%	0.874	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.9	175.7	36.1	0	0	0	0	112.4
7	S	33.3	Very low	32.4	Very low	103 Å²	103	164.1 Å²	164.1	72%	0.72	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-77.5	136.8	-175.2	51.5	0	0	0	0	114.3
8	V	28.2	Very low	32.4	Very low	115 Å²	115	168.4 Å²	168.4	70%	0.697	86%	0.856	S	S	*	*			trans	44.6	105.3	130.6	-167.8	0	0	0	0	117.5
9	I	32.3	Very low	32.2	Very low	164 Å²	164	169.5 Å²	169.5	84%	0.841	86%	0.857	S	S	*	*			trans	-119.7	100.5	145.1	-60.8	176.4	0	0	0	106.2	E11	I9-E11 PolarHBondContact O-N 3.48Å
10	N	28.7	Very low	32.5	Very low	142 Å²	142	166.2 Å²	166.2	76%	0.759	85%	0.846	S	S	*	*			trans	-66.5	109	167.9	-100.8	-19.4	0	0	0	108	T12	N10-T12 PolarHBondContact O-N 2.96Å; N10-T12 VanDerWaalsContact O-N 3.12Å
11	E	30.2	Very low	32.6	Very low	184 Å²	184	164.8 Å²	164.8	86%	0.86	85%	0.846	S	S	*	*			trans	-61	113.5	164.8	-77.9	-171.6	153.4	0	0	108.7	I9 S13	I9-E11 PolarHBondContact O-N 3.48Å; E11-S13 PolarHBondContact O-N 3.42Å
12	T	32.4	Very low	32.9	Very low	132 Å²	132	158.7 Å²	158.7	81%	0.81	82%	0.817	S	S	*	*			trans	-62.2	119.1	174.5	35.6	0	0	0	0	109.2	N10 K14	N10-T12 PolarHBondContact O-N 2.96Å; N10-T12 VanDerWaalsContact O-N 3.12Å; T12-K14 PolarHBondContact O-N 3.24Å; T12-K14 VanDerWaalsContact O-N 3.09Å
13	S	29.2	Very low	33.4	Very low	115 Å²	115	152.9 Å²	152.9	80%	0.804	80%	0.8	S	S	*	*			trans	-56.2	110.1	172.6	44.3	0	0	0	0	110.2	E11	E11-S13 PolarHBondContact O-N 3.42Å
14	K	31.9	Very low	33.9	Very low	191 Å²	191	146 Å²	146	83%	0.83	79%	0.788	S	S	*	*			trans	-58.7	133.4	165.9	-70.2	179.5	179.9	173.3	0	108.3	T12 K16	T12-K14 PolarHBondContact O-N 3.24Å; T12-K14 VanDerWaalsContact O-N 3.09Å; K14-K16 PolarHBondContact O-N 3.04Å
15	P	30.4	Very low	34.8	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	76%	0.763	S	S	*	*			trans	-65.1	113.3	177.1	26.1	-30.4	0	0	0	108.2	M17	P15-M17 PolarHBondContact O-N 3.07Å
16	K	31.8	Very low	35.7	Very low	203 Å²	203	141.8 Å²	141.8	88%	0.883	76%	0.761	S	S	*	*			trans	-56.4	111.3	166.1	-81.6	-179.5	174.2	179	0	106.9	K14 R18	K14-K16 PolarHBondContact O-N 3.04Å; K16-R18 PolarHBondContact O-N 2.6Å; K16-R18 VanDerWaalsContact O-N 3.1Å
17	M	30.6	Very low	36.8	Very low	162 Å²	162	142 Å²	142	80%	0.798	75%	0.753	S	S	*	*			trans	-54.2	118.1	168	-77.6	-178.9	69.2	0	0	107.4	P15 Q19	P15-M17 PolarHBondContact O-N 3.07Å; M17-Q19 PolarHBondContact O-N 3.33Å; M17-Q19 VanDerWaalsContact O-N 3.09Å
18	R	31	Very low	38.6	Very low	243 Å²	243	138 Å²	138	92%	0.917	72%	0.723	S	S	*	*			trans	-58.8	114.5	175.4	-79.4	-179.4	172.5	-177.1	-3	107.8	K16 T20	K16-R18 PolarHBondContact O-N 2.6Å; K16-R18 VanDerWaalsContact O-N 3.1Å; R18-T20 PolarHBondContact O-N 2.88Å; R18-T20 VanDerWaalsContact O-N 3.14Å
19	Q	29.8	Very low	40.5	Very low	189 Å²	189	135.6 Å²	135.6	88%	0.883	71%	0.711	S	S	*	*			trans	-56.7	114.6	161.3	-80.1	173.6	-23.3	0	0	107	M17 T21	M17-Q19 PolarHBondContact O-N 3.33Å; M17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-T21 PolarHBondContact O-N 2.95Å
20	T	37.3	Very low	42.4	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	71%	0.709	S	S	*	*			trans	-63.9	119.8	166.2	-11.9	0	0	0	0	106.6	R18 L22 K77	R18-T20 PolarHBondContact O-N 2.88Å; R18-T20 VanDerWaalsContact O-N 3.14Å; T20-L22 PolarHBondContact O-N 3.43Å; T20-K77 WeakPolarHBondContact CG2-O 3.21Å
21	T	34.2	Very low	45.1	Very low	137 Å²	137	132.3 Å²	132.3	84%	0.84	70%	0.696	S	S	*	*			trans	-59.9	108.8	175.9	2.3	0	0	0	0	108.5	Q19 V23	Q19-T21 PolarHBondContact O-N 2.95Å; T21-V23 PolarHBondContact O-N 3.16Å
22	L	42.2	Very low	47.8	Very low	118 Å²	118	124.1 Å²	124.1	62%	0.618	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-66	122.7	168.8	-70.6	164.5	0	0	0	107.5	T20	T20-L22 PolarHBondContact O-N 3.43Å
23	V	47.4	Very low	50.6	Low	95 Å²	95	120.9 Å²	120.9	58%	0.576	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-61.5	143.5	170.2	-179.2	0	0	0	0	107.9	T21 T25	T21-V23 PolarHBondContact O-N 3.16Å; V23-T25 PolarHBondContact O-N 2.95Å
24	P	44.4	Very low	53.6	Low	107 Å²	107	120 Å²	120	70%	0.695	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-54.7	116.8	-178.5	-23.1	32.4	0	0	0	111.4	E26	P24-E26 VanDerWaalsContact C-N 3.33Å; P24-E26 PolarHBondContact O-N 2.69Å
25	T	54	Low	56.6	Low	58 Å²	58	118.4 Å²	118.4	36%	0.356	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-73.8	-18.1	-171.5	33.7	0	0	0	0	114.2	V23 N27 L28 D118	V23-T25 PolarHBondContact O-N 2.95Å; T25-N27 VanDerWaalsContact C-N 3.32Å; T25-N27 PolarHBondContact O-N 2.79Å; T25-L28 PolarHBondContact O-N 3.44Å; T25-L28 VanDerWaalsContact O-N 3.09Å; T25-D118 WeakPolarHBondContact CG2-OD1 3.32Å
26	E	53.3	Low	59.7	Low	167 Å²	167	113.7 Å²	113.7	78%	0.78	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-59.9	-38.2	-173.2	-73.8	-178	163.8	0	0	113	P24 S29	P24-E26 VanDerWaalsContact C-N 3.33Å; P24-E26 PolarHBondContact O-N 2.69Å; E26-S29 PolarHBondContact O-OG 3.4Å
27	N	61.1	Low	62.8	Low	131 Å²	131	105.1 Å²	105.1	70%	0.701	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-76	-20.9	178.2	-93.3	-14	0	0	0	114.3	T25 S29	T25-N27 VanDerWaalsContact C-N 3.32Å; T25-N27 PolarHBondContact O-N 2.79Å; N27-S29 VanDerWaalsContact C-N 3.33Å
28	L	69.3	Low	65.9	Low	17 Å²	17	101.9 Å²	101.9	9%	0.089	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-28.8	-178.4	-67	168.2	0	0	0	111.8	T25 Q30 S31 Y79 L124	T25-L28 PolarHBondContact O-N 3.44Å; T25-L28 VanDerWaalsContact O-N 3.09Å; L28-Q30 VanDerWaalsContact C-N 3.25Å; L28-Q30 PolarHBondContact O-N 3Å; L28-S31 PolarHBondContact O-N 3.34Å; L28-Y79 HydrophobicContact CD1-CE1 4.28Å; L28-Y79 HydrophobicContact CD2-CE1 4.37Å; L28-Y79 WeakPolarHBondContact CD2-OH 3.35Å; L28-L124 HydrophobicContact CD2-CD2 3.56Å
29	S	68.9	Low	68.9	Low	66 Å²	66	94.4 Å²	94.4	46%	0.462	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.6	-178.1	63.9	0	0	0	0	113	E26 N27 S31 I32	E26-S29 PolarHBondContact O-OG 3.4Å; N27-S29 VanDerWaalsContact C-N 3.33Å; S29-S31 PolarHBondContact O-N 3.07Å; S29-I32 PolarHBondContact O-N 3.2Å
30	Q	73.2	Confident	71.9	Confident	168 Å²	168	88 Å²	88	79%	0.785	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-69.7	-18.7	179.1	-65.3	-177.9	-1.7	0	0	113.7	L28	L28-Q30 VanDerWaalsContact C-N 3.25Å; L28-Q30 PolarHBondContact O-N 3Å
31	S	83.6	Confident	74.5	Confident	69 Å²	69	87.5 Å²	87.5	48%	0.483	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-92.4	-6.3	179.4	-57.1	0	0	0	0	113.1	L28 S29 Q127	L28-S31 PolarHBondContact O-N 3.34Å; S29-S31 PolarHBondContact O-N 3.07Å; S31-Q127 PolarHBondContact O-NE2 3.12Å
32	I	87.8	Confident	77.5	Confident	12 Å²	12	81.5 Å²	81.5	6%	0.062	45%	0.449	C	S	.	.	S	Bend	trans	-94.9	126.4	-179	-60.6	164.5	0	0	0	108.1	S29 E34 P120 K123 L124	S29-I32 PolarHBondContact O-N 3.2Å; I32-E34 HydrophobicContact CG2-CG 4.27Å; I32-E34 WeakPolarHBondContact CG2-OE1 3.45Å; I32-E34 PolarHBondContact O-N 3.4Å; I32-E34 VanDerWaalsContact O-N 3.15Å; I32-P120 HydrophobicContact CD1-CB 3.7Å; I32-P120 VanDerWaalsContact CD1-O 3.28Å; I32-P120 WeakPolarHBondContact CD1-O 3.37Å; I32-K123 HydrophobicContact CD1-CB 4.23Å; I32-K123 HydrophobicContact CG1-CB 4.41Å; I32-K123 HydrophobicContact CG2-CB 3.92Å; I32-K123 HydrophobicContact CG2-CD 3.85Å; I32-L124 HydrophobicContact CG1-CB 4.31Å
33	N	90.4	Very high	80.1	Confident	64 Å²	64	76 Å²	76	34%	0.342	42%	0.42	S	S	.	.			trans	-85.6	86.4	174.7	-164.9	8.3	0	0	0	109.9	E35 L36	N33-E35 PolarHBondContact ND2-OE1 3.33Å; N33-E35 PolarHBondContact O-N 3.21Å; N33-E35 WeakPolarHBondContact OD1-CG 3.47Å; N33-E35 PolarHBondContact OD1-OE1 2.64Å; N33-L36 HydrophobicContact CB-CD1 3.95Å; N33-L36 HydrophobicContact CB-CG 4Å; N33-L36 WeakPolarHBondContact O-CB 3.47Å; N33-L36 PolarHBondContact O-N 3.03Å
34	E	92.5	Very high	82.5	Confident	97 Å²	97	71.6 Å²	71.6	45%	0.453	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.5	-171.5	-73.5	-67.2	155.4	0	0	114.2	I32 L36 W37 K123	I32-E34 HydrophobicContact CG2-CG 4.27Å; I32-E34 WeakPolarHBondContact CG2-OE1 3.45Å; I32-E34 PolarHBondContact O-N 3.4Å; I32-E34 VanDerWaalsContact O-N 3.15Å; E34-L36 PolarHBondContact O-N 3.31Å; E34-W37 PolarHBondContact O-N 2.66Å; E34-K123 IonicContact OE1-NZ 3.74Å; E34-K123 PolarHBondContact OE1-NZ 3.12Å; E34-K123 IonicContact OE2-NZ 3.77Å; E34-K123 PolarHBondContact OE2-NZ 3Å
35	E	94.6	Very high	85.1	Confident	157 Å²	157	66.6 Å²	66.6	73%	0.734	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-63.2	-20.7	174.3	45.1	169.8	-152.8	0	0	113.6	N33 W37	N33-E35 PolarHBondContact ND2-OE1 3.33Å; N33-E35 PolarHBondContact O-N 3.21Å; N33-E35 WeakPolarHBondContact OD1-CG 3.47Å; N33-E35 PolarHBondContact OD1-OE1 2.64Å; E35-W37 PolarHBondContact O-N 3.23Å
36	L	95.8	Very high	87.2	Confident	25 Å²	25	64 Å²	64	13%	0.131	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-82.2	-5.4	176.8	-52.4	-173.1	0	0	0	112.7	N33 E34 Y46 T47 P49	N33-L36 HydrophobicContact CB-CD1 3.95Å; N33-L36 HydrophobicContact CB-CG 4Å; N33-L36 WeakPolarHBondContact O-CB 3.47Å; N33-L36 PolarHBondContact O-N 3.03Å; E34-L36 PolarHBondContact O-N 3.31Å; L36-Y46 HydrophobicContact CB-CD2 3.96Å; L36-Y46 HydrophobicContact CB-CE2 3.71Å; L36-Y46 HydrophobicContact CD1-CE2 3.72Å; L36-Y46 HydrophobicContact CG-CE2 4.38Å; L36-Y46 CarbonylContact O-C 3.46Å; L36-Y46 WeakPolarHBondContact O-CA 3.45Å; L36-T47 PolarHBondContact O-N 2.9Å; L36-P49 HydrophobicContact CD2-CG 3.58Å
37	W	97.1	Very high	89.3	Confident	22 Å²	22	58.6 Å²	58.6	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.9	-172.5	-68.3	90.8	0	0	0	112.5	E34 E35 L44 V45 Y46 F122 K123 I126 F141	E34-W37 PolarHBondContact O-N 2.66Å; E35-W37 PolarHBondContact O-N 3.23Å; W37-L44 HydrophobicContact CE3-CB 4.42Å; W37-L44 HydrophobicContact CZ3-CB 4.21Å; W37-V45 CarbonylContact C-O 3.53Å; W37-V45 VanDerWaalsContact CA-O 3.26Å; W37-V45 WeakPolarHBondContact CA-O 3.31Å; W37-Y46 HydrophobicContact CD2-CD2 4.15Å; W37-Y46 AromaticContact CE2-CD2 3.58Å; W37-Y46 HydrophobicContact CH2-CD2 4.34Å; W37-Y46 HydrophobicContact CH2-CG 4.39Å; W37-Y46 AromaticContact CZ2-CD2 3.68Å; W37-Y46 HydrophobicContact CZ2-CD2 3.68Å; W37-Y46 HydrophobicContact CZ2-CG 4.15Å; W37-Y46 AromaticContact NE1-CD2 3.77Å; W37-F122 HydrophobicContact CH2-CE1 4.43Å; W37-K123 HydrophobicContact CB-CD 4.48Å; W37-K123 HydrophobicContact CD2-CB 4.39Å; W37-K123 HydrophobicContact CD2-CD 3.7Å; W37-K123 HydrophobicContact CD2-CG 3.75Å; W37-K123 HydrophobicContact CE3-CD 4.22Å; W37-K123 HydrophobicContact CE3-CG 3.98Å; W37-K123 HydrophobicContact CG-CD 3.8Å; W37-K123 HydrophobicContact CG-CG 4.37Å; W37-K123 HydrophobicContact CH2-CB 4.18Å; W37-K123 HydrophobicContact CH2-CG 3.91Å; W37-K123 VanDerWaalsContact CZ2-CA 3.43Å; W37-K123 HydrophobicContact CZ2-CB 3.62Å; W37-K123 HydrophobicContact CZ2-CD 4.45Å; W37-K123 HydrophobicContact CZ2-CG 3.7Å; W37-K123 WeakPolarHBondContact CZ2-O 3.48Å; W37-K123 HydrophobicContact CZ3-CG 4.05Å; W37-I126 HydrophobicContact CH2-CB 3.69Å; W37-I126 HydrophobicContact CH2-CG1 3.83Å; W37-I126 HydrophobicContact CH2-CG2 3.81Å; W37-I126 HydrophobicContact CZ2-CB 3.84Å; W37-I126 HydrophobicContact CZ2-CG1 4.45Å; W37-I126 HydrophobicContact CZ2-CG2 4Å; W37-F141 HydrophobicContact CH2-CD2 4.41Å; W37-F141 HydrophobicContact CH2-CE2 4.01Å; W37-F141 AromaticContact CZ3-CD2 4Å; W37-F141 HydrophobicContact CZ3-CD2 4Å; W37-F141 AromaticContact CZ3-CE2 3.95Å; W37-F141 HydrophobicContact CZ3-CE2 3.95Å
38	E	96	Very high	91.1	Very high	94 Å²	94	54.2 Å²	54.2	44%	0.439	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	164.4	-178.3	-172.6	164.4	0	0	108.9	V45	E38-V45 HydrophobicContact CB-CB 4.21Å; E38-V45 PolarHBondContact N-O 3.09Å; E38-V45 PolarHBondContact O-N 3.43Å
39	N	94.2	Very high	92.4	Very high	87 Å²	87	58 Å²	58	47%	0.465	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.1	179.1	-60.3	-24	0	0	0	109.7	L44	N39-L44 HydrophobicContact CB-CD2 4.19Å; N39-L44 VanDerWaalsContact OD1-CD2 3.3Å; N39-L44 WeakPolarHBondContact OD1-CD2 3.43Å
40	T	93.2	Very high	93.7	Very high	53 Å²	53	62.4 Å²	62.4	33%	0.325	34%	0.335	S	S	.	.			trans	-107.6	-178.3	165.1	72.9	0	0	0	0	109.9	S42 L43 F158	T40-S42 PolarHBondContact O-N 2.91Å; T40-S42 PolarHBondContact OG1-N 3.42Å; T40-L43 PolarHBondContact N-O 2.9Å; T40-L43 WeakPolarHBondContact OG1-CA 3.48Å; T40-L43 VanDerWaalsContact OG1-CB 3.23Å; T40-L43 WeakPolarHBondContact OG1-CB 3.34Å; T40-L43 PolarHBondContact OG1-N 3.03Å; T40-L43 PolarHBondContact OG1-O 3.4Å; T40-L43 VanDerWaalsContact OG1-O 3.05Å; T40-F158 HydrophobicContact CG2-CE2 4.16Å
41	A	92.2	Very high	94.8	Very high	93 Å²	93	55.8 Å²	55.8	77%	0.769	31%	0.306	S	S	*	.	S	Bend	trans	-60.6	-27.2	176.4	0	0	0	0	0	114
42	S	95.5	Very high	95.4	Very high	12 Å²	12	59.6 Å²	59.6	8%	0.084	32%	0.317	C	S	.	.	S	Bend	trans	-135.4	0.4	-173.8	67.8	0	0	0	0	115.7	T40 I143 D146 N148	T40-S42 PolarHBondContact O-N 2.91Å; T40-S42 PolarHBondContact OG1-N 3.42Å; S42-I143 WeakPolarHBondContact O-CG1 3.49Å; S42-I143 PolarHBondContact O-N 3.37Å; S42-D146 WeakPolarHBondContact CB-OD2 3.44Å; S42-D146 PolarHBondContact OG-OD2 2.98Å; S42-N148 PolarHBondContact OG-ND2 2.85Å
43	L	97.7	Very high	95.9	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129	-175.9	-169.5	65.8	0	0	0	110.2	T40 V45 F140 N148 M155 F158	T40-L43 PolarHBondContact N-O 2.9Å; T40-L43 WeakPolarHBondContact OG1-CA 3.48Å; T40-L43 VanDerWaalsContact OG1-CB 3.23Å; T40-L43 WeakPolarHBondContact OG1-CB 3.34Å; T40-L43 PolarHBondContact OG1-N 3.03Å; T40-L43 PolarHBondContact OG1-O 3.4Å; T40-L43 VanDerWaalsContact OG1-O 3.05Å; L43-V45 HydrophobicContact CD2-CG2 3.86Å; L43-V45 HydrophobicContact CG-CG2 3.9Å; L43-F140 HydrophobicContact CD1-CB 4.19Å; L43-F140 HydrophobicContact CD2-CD1 4.14Å; L43-N148 HydrophobicContact CD1-CB 4.36Å; L43-M155 HydrophobicContact CD1-CG 3.64Å; L43-M155 HydrophobicContact CD1-SD 4.1Å; L43-F158 HydrophobicContact CD2-CB 4.07Å; L43-F158 HydrophobicContact CD2-CD1 4.42Å; L43-F158 HydrophobicContact CD2-CD2 3.81Å; L43-F158 HydrophobicContact CD2-CE2 4.35Å; L43-F158 HydrophobicContact CD2-CG 3.85Å
44	L	98	Very high	96.3	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.3	164	-50.9	174.7	0	0	0	107.9	W37 N39 I112 I119 F122 F141 I143	W37-L44 HydrophobicContact CE3-CB 4.42Å; W37-L44 HydrophobicContact CZ3-CB 4.21Å; N39-L44 HydrophobicContact CB-CD2 4.19Å; N39-L44 VanDerWaalsContact OD1-CD2 3.3Å; N39-L44 WeakPolarHBondContact OD1-CD2 3.43Å; L44-I112 HydrophobicContact CD1-CD1 4.09Å; L44-I119 HydrophobicContact CD1-CG1 4.48Å; L44-I119 HydrophobicContact CD1-CG2 4.31Å; L44-F122 HydrophobicContact CD1-CD1 4.05Å; L44-F122 HydrophobicContact CD1-CE1 4.27Å; L44-F141 HydrophobicContact CB-CB 4.27Å; L44-F141 HydrophobicContact CB-CD2 4.39Å; L44-F141 PolarHBondContact N-O 3.18Å; L44-F141 WeakPolarHBondContact O-CD2 3.25Å; L44-F141 PolarHBondContact O-N 2.88Å; L44-I143 HydrophobicContact CD1-CG2 3.99Å; L44-I143 HydrophobicContact CG-CG2 4.01Å
45	V	98.4	Very high	96.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.5	179.6	-173.9	0	0	0	0	108.6	W37 E38 L43 G139 F140 F158	W37-V45 CarbonylContact C-O 3.53Å; W37-V45 VanDerWaalsContact CA-O 3.26Å; W37-V45 WeakPolarHBondContact CA-O 3.31Å; E38-V45 HydrophobicContact CB-CB 4.21Å; E38-V45 PolarHBondContact N-O 3.09Å; E38-V45 PolarHBondContact O-N 3.43Å; L43-V45 HydrophobicContact CD2-CG2 3.86Å; L43-V45 HydrophobicContact CG-CG2 3.9Å; V45-G139 CarbonylContact C-O 3.59Å; V45-G139 VanDerWaalsContact CA-O 3.23Å; V45-G139 WeakPolarHBondContact CA-O 3.2Å; V45-F140 HydrophobicContact CB-CD1 4.35Å; V45-F140 HydrophobicContact CB-CE1 4.42Å; V45-F140 HydrophobicContact CG1-CD1 3.85Å; V45-F140 HydrophobicContact CG1-CE1 3.54Å; V45-F140 HydrophobicContact CG1-CZ 4.16Å; V45-F140 HydrophobicContact CG2-CD1 3.75Å; V45-F140 HydrophobicContact CG2-CE1 4.02Å; V45-F158 HydrophobicContact CG2-CE1 4.07Å; V45-F158 HydrophobicContact CG2-CZ 4.27Å
46	Y	98.5	Very high	96.8	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	171	171.4	-95.4	0	0	0	108.8	L36 W37 H48 I126 Q127 V130 I137 Q138 G139	L36-Y46 HydrophobicContact CB-CD2 3.96Å; L36-Y46 HydrophobicContact CB-CE2 3.71Å; L36-Y46 HydrophobicContact CD1-CE2 3.72Å; L36-Y46 HydrophobicContact CG-CE2 4.38Å; L36-Y46 CarbonylContact O-C 3.46Å; L36-Y46 WeakPolarHBondContact O-CA 3.45Å; W37-Y46 HydrophobicContact CD2-CD2 4.15Å; W37-Y46 AromaticContact CE2-CD2 3.58Å; W37-Y46 HydrophobicContact CH2-CD2 4.34Å; W37-Y46 HydrophobicContact CH2-CG 4.39Å; W37-Y46 AromaticContact CZ2-CD2 3.68Å; W37-Y46 HydrophobicContact CZ2-CD2 3.68Å; W37-Y46 HydrophobicContact CZ2-CG 4.15Å; W37-Y46 AromaticContact NE1-CD2 3.77Å; Y46-H48 HydrophobicContact CE1-CB 3.96Å; Y46-I126 HydrophobicContact CD1-CG2 4.28Å; Y46-I126 HydrophobicContact CG-CG2 4.11Å; Y46-Q127 HydrophobicContact CE2-CG 4.14Å; Y46-V130 HydrophobicContact CD1-CG2 4.31Å; Y46-V130 HydrophobicContact CE1-CB 4.31Å; Y46-V130 HydrophobicContact CE1-CG1 4.09Å; Y46-V130 HydrophobicContact CE1-CG2 3.75Å; Y46-I137 WeakPolarHBondContact CE1-O 3.24Å; Y46-Q138 CarbonylContact O-C 3.54Å; Y46-Q138 VanDerWaalsContact O-CA 3.27Å; Y46-Q138 WeakPolarHBondContact O-CA 3.45Å; Y46-Q138 VanDerWaalsContact O-CG 3.24Å; Y46-Q138 WeakPolarHBondContact O-CG 3.48Å; Y46-G139 PolarHBondContact N-O 2.93Å; Y46-G139 PolarHBondContact O-N 3.47Å
47	T	98.2	Very high	96.9	Very high	53 Å²	53	52.6 Å²	52.6	33%	0.325	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.6	173.6	-54.7	0	0	0	0	110	L36 C51 Q138	L36-T47 PolarHBondContact O-N 2.9Å; T47-C51 HydrophobicContact CG2-CB 4.09Å; T47-Q138 HydrophobicContact CG2-CG 4.34Å; T47-Q138 PolarHBondContact OG1-NE2 3.29Å
48	H	98	Very high	97	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.181	29%	0.289	C	S	.	.			trans	-63.3	140	173.4	-175.7	-88.6	0	0	0	110.4	Y46 K50 C51 P136 I137	Y46-H48 HydrophobicContact CE1-CB 3.96Å; H48-K50 PolarHBondContact ND1-N 2.88Å; H48-K50 VanDerWaalsContact ND1-N 3.15Å; H48-K50 PolarHBondContact O-N 3.12Å; H48-C51 VanDerWaalsContact O-CB 3.27Å; H48-C51 WeakPolarHBondContact O-CB 3.19Å; H48-C51 PolarHBondContact O-N 3.36Å; H48-P136 HydrophobicContact CB-CB 4.49Å; H48-I137 VanDerWaalsContact CB-O 3.26Å; H48-I137 WeakPolarHBondContact CB-O 3.29Å; H48-I137 PolarHBondContact N-O 2.78Å; H48-I137 VanDerWaalsContact N-O 3.1Å
49	P	96.2	Very high	97.1	Very high	97 Å²	97	47.1 Å²	47.1	63%	0.63	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.3	-174.8	-28.1	35.2	0	0	0	115.1	L36	L36-P49 HydrophobicContact CD2-CG 3.58Å
50	K	96.6	Very high	97.3	Very high	159 Å²	159	43 Å²	43	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	12.2	178.7	-56.2	-178.3	-178.9	175.4	0	113.6	H48 E52 P136	H48-K50 PolarHBondContact ND1-N 2.88Å; H48-K50 VanDerWaalsContact ND1-N 3.15Å; H48-K50 PolarHBondContact O-N 3.12Å; K50-E52 PolarHBondContact O-N 3.42Å; K50-P136 HydrophobicContact CB-CB 4.23Å; K50-P136 HydrophobicContact CB-CG 3.84Å; K50-P136 WeakPolarHBondContact O-CB 3.34Å; K50-P136 WeakPolarHBondContact O-CG 3.37Å
51	C	96	Very high	97.6	Very high	28 Å²	28	40.9 Å²	40.9	19%	0.189	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-72.3	122.5	174.8	-90.2	0	0	0	0	110.2	T47 H48 P136 I137	T47-C51 HydrophobicContact CG2-CB 4.09Å; H48-C51 VanDerWaalsContact O-CB 3.27Å; H48-C51 WeakPolarHBondContact O-CB 3.19Å; H48-C51 PolarHBondContact O-N 3.36Å; C51-P136 VanDerWaalsContact SG-C 3.56Å; C51-I137 PolarHBondContact SG-N 2.98Å; C51-I137 VanDerWaalsContact SG-N 3.38Å; C51-I137 PolarHBondContact SG-O 3.1Å; C51-I137 VanDerWaalsContact SG-O 3.39Å
52	E	96.6	Very high	97.9	Very high	149 Å²	149	36.4 Å²	36.4	70%	0.696	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-102.9	149.8	173.3	-65.6	-176.6	169.8	0	0	110.5	K50 K102	K50-E52 PolarHBondContact O-N 3.42Å; E52-K102 WeakPolarHBondContact O-CD 3.24Å
53	P	98.1	Very high	97.9	Very high	59 Å²	59	38.6 Å²	38.6	38%	0.383	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-68.6	150.5	172.4	32.4	-36.7	0	0	0	110.8	N164 A165 I167	P53-N164 WeakPolarHBondContact CA-OD1 3.26Å; P53-N164 VanDerWaalsContact CB-O 3.27Å; P53-N164 WeakPolarHBondContact CB-O 3.23Å; P53-A165 HydrophobicContact CB-CB 4.03Å; P53-A165 HydrophobicContact CG-CB 4.07Å; P53-I167 HydrophobicContact CB-CB 4.16Å; P53-I167 HydrophobicContact CB-CG1 3.74Å; P53-I167 HydrophobicContact CG-CG1 3.96Å
54	S	98.6	Very high	97.8	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	22%	0.218	C	C	.	.			trans	-150.6	150.6	176	-179.4	0	0	0	0	110.8	K56 G100 N164	S54-K56 PolarHBondContact OG-N 3.31Å; S54-K56 PolarHBondContact OG-O 2.91Å; S54-G100 WeakPolarHBondContact CB-O 3.41Å; S54-G100 PolarHBondContact OG-O 2.89Å; S54-N164 PolarHBondContact N-OD1 3.45Å; S54-N164 PolarHBondContact O-ND2 3.48Å
55	S	98.4	Very high	97.8	Very high	50 Å²	50	39.6 Å²	39.6	35%	0.35	22%	0.217	S	C	.	.	S	Bend	trans	-74.5	-17.1	168.5	60.2	0	0	0	0	112.8	P168 D170	S55-P168 WeakPolarHBondContact CA-O 3.38Å; S55-P168 VanDerWaalsContact CB-O 3.29Å; S55-P168 WeakPolarHBondContact CB-O 3.15Å; S55-D170 PolarHBondContact O-N 3.03Å
56	K	98.6	Very high	97.8	Very high	80 Å²	80	39.5 Å²	39.5	35%	0.348	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.2	177.8	-60.4	-178.2	-173.3	172.3	0	110.1	S54 Y101 K102 A173	S54-K56 PolarHBondContact OG-N 3.31Å; S54-K56 PolarHBondContact OG-O 2.91Å; K56-Y101 HydrophobicContact CB-CD1 3.82Å; K56-Y101 HydrophobicContact CB-CD2 4.35Å; K56-Y101 HydrophobicContact CB-CE1 4.01Å; K56-Y101 HydrophobicContact CB-CG 4.02Å; K56-Y101 HydrophobicContact CD-CD2 4.4Å; K56-Y101 HydrophobicContact CD-CE2 4.1Å; K56-Y101 CarbonylContact O-C 3.53Å; K56-Y101 WeakPolarHBondContact O-CA 3.45Å; K56-K102 PolarHBondContact O-N 3.37Å; K56-A173 HydrophobicContact CG-CB 4.02Å
57	I	98.8	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.3	179.2	-53.5	-56.7	0	0	0	109.9	K102 V104 W156 L159 I169 S174 L175	I57-K102 HydrophobicContact CD1-CB 3.82Å; I57-K102 HydrophobicContact CD1-CD 3.97Å; I57-K102 HydrophobicContact CD1-CG 4.29Å; I57-V104 HydrophobicContact CG2-CB 4.15Å; I57-V104 HydrophobicContact CG2-CG2 3.82Å; I57-W156 HydrophobicContact CB-CH2 3.83Å; I57-W156 HydrophobicContact CB-CZ3 4.21Å; I57-W156 HydrophobicContact CG1-CH2 4.14Å; I57-W156 HydrophobicContact CG2-CH2 3.98Å; I57-W156 HydrophobicContact CG2-CZ3 3.81Å; I57-L159 HydrophobicContact CD1-CD2 4.4Å; I57-L159 HydrophobicContact CG1-CD2 4.26Å; I57-L159 HydrophobicContact CG2-CD2 3.97Å; I57-I169 HydrophobicContact CB-CG2 4.46Å; I57-I169 HydrophobicContact CD1-CD1 4.35Å; I57-I169 HydrophobicContact CD1-CG1 4.25Å; I57-I169 HydrophobicContact CG1-CB 4.39Å; I57-I169 HydrophobicContact CG1-CD1 3.91Å; I57-I169 HydrophobicContact CG1-CG1 3.89Å; I57-I169 HydrophobicContact CG1-CG2 3.6Å; I57-S174 PolarHBondContact N-OG 2.99Å; I57-S174 WeakPolarHBondContact O-CA 3.49Å; I57-S174 WeakPolarHBondContact O-CB 3.18Å; I57-L175 PolarHBondContact O-N 3.16Å
58	L	98.8	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	94.8	160.8	175.2	54.5	0	0	0	107.2	L60 L93 Y96 Y101 K102 I103 V104 L175 L214	L58-L60 HydrophobicContact CD1-CD2 3.83Å; L58-L60 HydrophobicContact CD1-CG 4.38Å; L58-L60 HydrophobicContact CD2-CD1 4.48Å; L58-L60 HydrophobicContact CD2-CD2 4.38Å; L58-L60 HydrophobicContact CG-CD1 4.29Å; L58-L60 HydrophobicContact CG-CD2 3.96Å; L58-L60 HydrophobicContact CG-CG 4.07Å; L58-L93 HydrophobicContact CD2-CD2 4.06Å; L58-Y96 HydrophobicContact CD2-CD1 4.07Å; L58-Y96 HydrophobicContact CD2-CD2 3.7Å; L58-Y96 HydrophobicContact CD2-CE2 4.32Å; L58-Y96 HydrophobicContact CD2-CG 3.57Å; L58-Y101 HydrophobicContact CB-CD1 3.98Å; L58-Y101 HydrophobicContact CB-CG 4.43Å; L58-K102 PolarHBondContact N-O 3.01Å; L58-I103 HydrophobicContact CB-CD1 3.86Å; L58-I103 HydrophobicContact CD2-CD1 3.99Å; L58-I103 HydrophobicContact CG-CD1 4.32Å; L58-V104 PolarHBondContact O-N 3.4Å; L58-L175 HydrophobicContact CD1-CD1 3.22Å; L58-L175 HydrophobicContact CD1-CG 3.78Å; L58-L214 HydrophobicContact CD1-CD1 4.49Å; L58-L214 HydrophobicContact CD1-CD2 4.1Å
59	G	98.8	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.4	174.3	0	0	0	0	0	110.5	V104 L175 Y176 S177	G59-V104 CarbonylContact C-O 3.53Å; G59-V104 WeakPolarHBondContact CA-O 3.38Å; G59-L175 PolarHBondContact N-O 3Å; G59-Y176 CarbonylContact O-C 3.59Å; G59-Y176 VanDerWaalsContact O-CA 3.25Å; G59-Y176 WeakPolarHBondContact O-CA 3.21Å; G59-Y176 WeakPolarHBondContact O-CD2 3.49Å; G59-S177 PolarHBondContact O-N 2.71Å
60	L	98.9	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135	-176.4	-58.3	167	0	0	0	109.5	L58 I66 L93 I103 V104 L105 L106 S177 L214 W215	L58-L60 HydrophobicContact CD1-CD2 3.83Å; L58-L60 HydrophobicContact CD1-CG 4.38Å; L58-L60 HydrophobicContact CD2-CD1 4.48Å; L58-L60 HydrophobicContact CD2-CD2 4.38Å; L58-L60 HydrophobicContact CG-CD1 4.29Å; L58-L60 HydrophobicContact CG-CD2 3.96Å; L58-L60 HydrophobicContact CG-CG 4.07Å; L60-I66 HydrophobicContact CB-CD1 4.03Å; L60-I66 HydrophobicContact CD1-CD1 3.85Å; L60-L93 HydrophobicContact CD1-CD2 3.55Å; L60-I103 HydrophobicContact CD1-CG2 3.92Å; L60-V104 PolarHBondContact N-O 3.3Å; L60-L105 HydrophobicContact CB-CD2 4.02Å; L60-L105 HydrophobicContact CD1-CD2 4.44Å; L60-L105 CarbonylContact O-C 3.55Å; L60-L105 WeakPolarHBondContact O-CA 3.46Å; L60-L106 PolarHBondContact O-N 3.38Å; L60-S177 CarbonylContact C-O 3.53Å; L60-S177 WeakPolarHBondContact CA-O 3.49Å; L60-L214 HydrophobicContact CD2-CD2 3.49Å; L60-L214 VanDerWaalsContact CD2-CD2 3.49Å; L60-W215 HydrophobicContact CD1-CH2 4.13Å; L60-W215 HydrophobicContact CD2-CH2 3.74Å; L60-W215 HydrophobicContact CD2-CZ2 4.04Å
61	D	98.7	Very high	97.6	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	19%	0.186	C	C	.	.			trans	-65.9	165	154.4	178.6	61.8	0	0	0	110.3	D63 T65 S107 K150 Y176 S177	D61-D63 PolarHBondContact OD2-N 2.81Å; D61-D63 VanDerWaalsContact OD2-O 3.04Å; D61-T65 HydrophobicContact CB-CG2 4.39Å; D61-T65 WeakPolarHBondContact CB-OG1 3.41Å; D61-T65 VanDerWaalsContact O-CB 3.31Å; D61-T65 WeakPolarHBondContact O-CB 3.35Å; D61-T65 WeakPolarHBondContact O-CG2 3.36Å; D61-T65 PolarHBondContact OD2-OG1 3Å; D61-S107 PolarHBondContact OD1-OG 2.79Å; D61-K150 IonicContact OD1-NZ 3.52Å; D61-K150 PolarHBondContact OD1-NZ 3.18Å; D61-Y176 WeakPolarHBondContact CB-OH 3.28Å; D61-S177 PolarHBondContact N-O 3.5Å
62	M	98.1	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-103.9	-65.7	-178.8	-177.6	-178.3	67.5	0	0	112.6	G64 T65 I66 I67 Q109 F122 I126 I129 F141	M62-G64 PolarHBondContact O-N 3.02Å; M62-T65 PolarHBondContact O-N 3.45Å; M62-I66 PolarHBondContact O-N 2.98Å; M62-I67 HydrophobicContact CE-CD1 4.47Å; M62-I67 HydrophobicContact CG-CD1 3.86Å; M62-I67 HydrophobicContact CG-CG1 3.98Å; M62-I67 PolarHBondContact O-N 2.83Å; M62-I67 VanDerWaalsContact O-N 3.12Å; M62-I67 HydrophobicContact SD-CD1 4.16Å; M62-Q109 VanDerWaalsContact CE-NE2 3.32Å; M62-F122 HydrophobicContact CE-CE2 4.14Å; M62-I126 HydrophobicContact CE-CD1 4.14Å; M62-I126 HydrophobicContact SD-CD1 3.32Å; M62-I126 WeakPolarHBondContact SD-CD1 3.33Å; M62-I129 HydrophobicContact SD-CD1 3.95Å; M62-F141 HydrophobicContact SD-CE1 4.37Å
63	D	96.3	Very high	97.1	Very high	58 Å²	58	32.1 Å²	32.1	31%	0.31	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-80.8	113.7	-170.8	-63.4	-61	0	0	0	110.2	D61 T65 I67 Q109 K125	D61-D63 PolarHBondContact OD2-N 2.81Å; D61-D63 VanDerWaalsContact OD2-O 3.04Å; D63-T65 VanDerWaalsContact C-N 3.34Å; D63-I67 WeakPolarHBondContact OD1-CD1 3.37Å; D63-Q109 PolarHBondContact OD2-NE2 3.41Å; D63-K125 IonicContact OD1-NZ 2.8Å; D63-K125 PolarHBondContact OD1-NZ 3.29Å
64	G	95.7	Very high	96.6	Very high	24 Å²	24	34.6 Å²	34.6	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-10.7	-173.1	0	0	0	0	0	113.7	M62 I67 I85 D179	M62-G64 PolarHBondContact O-N 3.02Å; G64-I67 PolarHBondContact N-O 2.91Å; G64-I85 WeakPolarHBondContact O-CD1 3.46Å; G64-D179 WeakPolarHBondContact O-CB 3.5Å
65	T	97.8	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-44.7	-179.2	-59	0	0	0	0	113.2	D61 M62 D63 I85 G178 D179 P211 W215	D61-T65 HydrophobicContact CB-CG2 4.39Å; D61-T65 WeakPolarHBondContact CB-OG1 3.41Å; D61-T65 VanDerWaalsContact O-CB 3.31Å; D61-T65 WeakPolarHBondContact O-CB 3.35Å; D61-T65 WeakPolarHBondContact O-CG2 3.36Å; D61-T65 PolarHBondContact OD2-OG1 3Å; M62-T65 PolarHBondContact O-N 3.45Å; D63-T65 VanDerWaalsContact C-N 3.34Å; T65-I85 WeakPolarHBondContact O-CD1 3.34Å; T65-G178 WeakPolarHBondContact OG1-CA 3.4Å; T65-D179 PolarHBondContact OG1-N 3.26Å; T65-D179 VanDerWaalsContact OG1-N 3.07Å; T65-P211 HydrophobicContact CG2-CG 4.1Å; T65-W215 HydrophobicContact CG2-CZ2 4.5Å; T65-W215 PolarHBondContact O-NE1 3.36Å
66	I	98.4	Very high	95.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-42.5	176	-61.5	177.6	0	0	0	110.1	L60 M62 L84 I85 I89 L105 L133 W215	L60-I66 HydrophobicContact CB-CD1 4.03Å; L60-I66 HydrophobicContact CD1-CD1 3.85Å; M62-I66 PolarHBondContact O-N 2.98Å; I66-L84 HydrophobicContact CG2-CD2 4.04Å; I66-L84 WeakPolarHBondContact O-CA 3.5Å; I66-I85 WeakPolarHBondContact O-CG1 3.44Å; I66-I85 PolarHBondContact O-N 2.94Å; I66-I89 HydrophobicContact CG2-CG2 4.23Å; I66-I89 WeakPolarHBondContact O-CD1 3.48Å; I66-L105 HydrophobicContact CD1-CD2 3.31Å; I66-L133 HydrophobicContact CG2-CD1 4.14Å; I66-L133 HydrophobicContact CG2-CD2 4.23Å; I66-W215 HydrophobicContact CG1-CZ2 4.31Å
67	I	98	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.2	-175.4	64.2	172	0	0	0	112.3	M62 D63 G64 W82 K83 L84 I129	M62-I67 HydrophobicContact CE-CD1 4.47Å; M62-I67 HydrophobicContact CG-CD1 3.86Å; M62-I67 HydrophobicContact CG-CG1 3.98Å; M62-I67 PolarHBondContact O-N 2.83Å; M62-I67 VanDerWaalsContact O-N 3.12Å; M62-I67 HydrophobicContact SD-CD1 4.16Å; D63-I67 WeakPolarHBondContact OD1-CD1 3.37Å; G64-I67 PolarHBondContact N-O 2.91Å; I67-W82 HydrophobicContact CB-CB 4.38Å; I67-W82 HydrophobicContact CB-CE3 4.45Å; I67-W82 HydrophobicContact CD1-CB 4.05Å; I67-W82 HydrophobicContact CG2-CD2 4.49Å; I67-W82 HydrophobicContact CG2-CE3 3.71Å; I67-W82 HydrophobicContact CG2-CZ3 4.27Å; I67-K83 CarbonylContact C-O 3.56Å; I67-K83 WeakPolarHBondContact CA-O 3.37Å; I67-K83 WeakPolarHBondContact CB-O 3.26Å; I67-L84 HydrophobicContact CG2-CD2 4.32Å; I67-I129 HydrophobicContact CD1-CD1 3.66Å; I67-I129 HydrophobicContact CG2-CD1 4.39Å; I67-I129 HydrophobicContact CG2-CG1 4.38Å
68	V	96.6	Very high	94.5	Very high	48 Å²	48	46.9 Å²	46.9	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.5	166.4	-76.6	0	0	0	0	109.5	S70 W82 K83 I85	V68-S70 PolarHBondContact O-N 3.45Å; V68-W82 CarbonylContact O-C 3.46Å; V68-W82 WeakPolarHBondContact O-CA 3.29Å; V68-K83 HydrophobicContact CG2-CG 4.08Å; V68-K83 PolarHBondContact N-O 2.82Å; V68-K83 PolarHBondContact O-N 3.23Å; V68-I85 HydrophobicContact CB-CG1 4.36Å; V68-I85 HydrophobicContact CG1-CD1 4.08Å; V68-I85 HydrophobicContact CG1-CG1 3.75Å; V68-I85 HydrophobicContact CG2-CG1 4.05Å
69	P	96.5	Very high	94.1	Very high	25 Å²	25	49.4 Å²	49.4	16%	0.162	28%	0.283	C	S	.	.			trans	-56	127.2	174.5	-27.9	38.1	0	0	0	111.8	S71 G72 K73 P76 D81	P69-S71 PolarHBondContact O-N 2.88Å; P69-G72 PolarHBondContact O-N 2.9Å; P69-G72 VanDerWaalsContact O-N 3.12Å; P69-K73 WeakPolarHBondContact CB-O 3.28Å; P69-K73 WeakPolarHBondContact CG-O 3.3Å; P69-P76 HydrophobicContact CG-CB 4.38Å; P69-D81 WeakPolarHBondContact CA-O 3.47Å
70	S	96.6	Very high	93.8	Very high	63 Å²	63	53 Å²	53	44%	0.441	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.7	178.8	61.9	0	0	0	0	111.4	V68 G72 D81	V68-S70 PolarHBondContact O-N 3.45Å; S70-G72 PolarHBondContact O-N 2.89Å; S70-D81 PolarHBondContact N-OD1 2.81Å; S70-D81 PolarHBondContact OG-OD1 2.91Å
71	S	94.5	Very high	93.6	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.2	173.7	71.4	0	0	0	0	115.2	P69 K73 D81	P69-S71 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact O-N 2.93Å; S71-D81 VanDerWaalsContact CB-OD1 3.31Å; S71-D81 WeakPolarHBondContact CB-OD1 3.4Å; S71-D81 WeakPolarHBondContact CB-OD2 3.34Å; S71-D81 PolarHBondContact N-OD1 2.92Å; S71-D81 PolarHBondContact OG-OD1 3.39Å; S71-D81 PolarHBondContact OG-OD2 3.23Å
72	G	91.7	Very high	93.6	Very high	72 Å²	72	55 Å²	55	74%	0.742	31%	0.313	S	S	*	.			trans	73.2	5.3	-176.8	0	0	0	0	0	114.8	P69 S70	P69-G72 PolarHBondContact O-N 2.9Å; P69-G72 VanDerWaalsContact O-N 3.12Å; S70-G72 PolarHBondContact O-N 2.89Å
73	K	91.7	Very high	93.5	Very high	122 Å²	122	60.3 Å²	60.3	53%	0.53	34%	0.336	S	S	.	.			trans	-74.3	162.5	172.6	-68.5	-175.8	178.2	-175.6	0	111	P69 S71 F75 K77	P69-K73 WeakPolarHBondContact CB-O 3.28Å; P69-K73 WeakPolarHBondContact CG-O 3.3Å; S71-K73 PolarHBondContact O-N 2.93Å; K73-F75 VanDerWaalsContact C-N 3.34Å; K73-F75 WeakPolarHBondContact CB-O 3.37Å; K73-K77 HydrophobicContact CD-CG 4.3Å
74	V	86.4	Confident	93.6	Very high	112 Å²	112	59 Å²	59	68%	0.679	33%	0.328	S	S	*	.	S	Bend	trans	-68.2	-36.7	172.9	178.7	0	0	0	0	111.3
75	F	85.9	Confident	93.6	Very high	164 Å²	164	60.7 Å²	60.7	72%	0.719	33%	0.331	S	S	*	.	S	Bend	trans	-117.5	139.1	178.1	-59.1	-69.3	0	0	0	110	K73	K73-F75 VanDerWaalsContact C-N 3.34Å; K73-F75 WeakPolarHBondContact CB-O 3.37Å
76	P	89.2	Confident	93.6	Very high	58 Å²	58	61.8 Å²	61.8	38%	0.377	34%	0.337	S	S	.	.			trans	-65.6	147.7	178	28.7	-34.6	0	0	0	111.2	P69 D81	P69-P76 HydrophobicContact CG-CB 4.38Å; P76-D81 WeakPolarHBondContact CA-OD2 3.42Å; P76-D81 HydrophobicContact CB-CB 4.06Å
77	K	86.9	Confident	93.5	Very high	108 Å²	108	68.8 Å²	68.8	47%	0.47	38%	0.375	S	S	.	.	S	Bend	trans	-73.7	-40.6	176.7	-65	171.1	-172.5	170.2	0	112.5	T20 K73 D81	T20-K77 WeakPolarHBondContact CG2-O 3.21Å; K73-K77 HydrophobicContact CD-CG 4.3Å; K77-D81 HydrophobicContact CB-CB 4.27Å; K77-D81 WeakPolarHBondContact CG-OD2 3.31Å; K77-D81 PolarHBondContact N-OD2 3.45Å
78	D	88.6	Confident	93.4	Very high	78 Å²	78	72 Å²	72	42%	0.417	39%	0.392	S	S	.	.	S	Bend	trans	-156.7	-175.8	-176.3	57.7	56.6	0	0	0	109.4	T80 D81	D78-T80 PolarHBondContact O-N 3.28Å; D78-T80 WeakPolarHBondContact OD1-CA 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.42Å; D78-T80 PolarHBondContact OD1-N 3.34Å; D78-T80 PolarHBondContact OD1-OG1 2.93Å; D78-D81 PolarHBondContact O-N 3.31Å; D78-D81 PolarHBondContact OD1-N 3.31Å; D78-D81 VanDerWaalsContact OD1-N 3.14Å
79	Y	90.3	Very high	93.5	Very high	52 Å²	52	69.8 Å²	69.8	20%	0.204	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.3	-175.9	75.4	-89.7	0	0	0	114.4	L28 W82 S121 L124	L28-Y79 HydrophobicContact CD1-CE1 4.28Å; L28-Y79 HydrophobicContact CD2-CE1 4.37Å; L28-Y79 WeakPolarHBondContact CD2-OH 3.35Å; Y79-W82 VanDerWaalsContact O-CD1 3.27Å; Y79-S121 WeakPolarHBondContact CB-O 3.43Å; Y79-L124 HydrophobicContact CD2-CD2 4.39Å; Y79-L124 HydrophobicContact CE2-CD2 3.66Å; Y79-L124 HydrophobicContact CE2-CG 4.21Å
80	T	93.2	Very high	93.6	Very high	77 Å²	77	70.6 Å²	70.6	47%	0.472	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14	177.1	71.7	0	0	0	0	112.9	D78 W82	D78-T80 PolarHBondContact O-N 3.28Å; D78-T80 WeakPolarHBondContact OD1-CA 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.42Å; D78-T80 PolarHBondContact OD1-N 3.34Å; D78-T80 PolarHBondContact OD1-OG1 2.93Å; T80-W82 PolarHBondContact O-N 2.87Å
81	D	95.2	Very high	93.6	Very high	9 Å²	9	71.3 Å²	71.3	5%	0.048	38%	0.384	C	S	.	.			trans	-76.2	68.4	179.8	-173.1	10.6	0	0	0	111.9	P69 S70 S71 P76 K77 D78	P69-D81 WeakPolarHBondContact CA-O 3.47Å; S70-D81 PolarHBondContact N-OD1 2.81Å; S70-D81 PolarHBondContact OG-OD1 2.91Å; S71-D81 VanDerWaalsContact CB-OD1 3.31Å; S71-D81 WeakPolarHBondContact CB-OD1 3.4Å; S71-D81 WeakPolarHBondContact CB-OD2 3.34Å; S71-D81 PolarHBondContact N-OD1 2.92Å; S71-D81 PolarHBondContact OG-OD1 3.39Å; S71-D81 PolarHBondContact OG-OD2 3.23Å; P76-D81 WeakPolarHBondContact CA-OD2 3.42Å; P76-D81 HydrophobicContact CB-CB 4.06Å; K77-D81 HydrophobicContact CB-CB 4.27Å; K77-D81 WeakPolarHBondContact CG-OD2 3.31Å; K77-D81 PolarHBondContact N-OD2 3.45Å; D78-D81 PolarHBondContact O-N 3.31Å; D78-D81 PolarHBondContact OD1-N 3.31Å; D78-D81 VanDerWaalsContact OD1-N 3.14Å
82	W	97.2	Very high	93.8	Very high	42 Å²	42	70.4 Å²	70.4	16%	0.159	38%	0.375	C	S	.	.			trans	-147.2	155.6	172.9	65.6	-88.5	0	0	0	111.5	I67 V68 Y79 T80 L84 N128 I129 K132	I67-W82 HydrophobicContact CB-CB 4.38Å; I67-W82 HydrophobicContact CB-CE3 4.45Å; I67-W82 HydrophobicContact CD1-CB 4.05Å; I67-W82 HydrophobicContact CG2-CD2 4.49Å; I67-W82 HydrophobicContact CG2-CE3 3.71Å; I67-W82 HydrophobicContact CG2-CZ3 4.27Å; V68-W82 CarbonylContact O-C 3.46Å; V68-W82 WeakPolarHBondContact O-CA 3.29Å; Y79-W82 VanDerWaalsContact O-CD1 3.27Å; T80-W82 PolarHBondContact O-N 2.87Å; W82-L84 HydrophobicContact CZ3-CD2 4.48Å; W82-N128 HydrophobicContact CZ2-CB 3.94Å; W82-I129 HydrophobicContact CD2-CD1 4.48Å; W82-I129 HydrophobicContact CD2-CG1 3.87Å; W82-I129 HydrophobicContact CE3-CG1 3.95Å; W82-I129 HydrophobicContact CH2-CB 4.34Å; W82-I129 HydrophobicContact CH2-CG1 3.79Å; W82-I129 HydrophobicContact CZ2-CB 4.49Å; W82-I129 HydrophobicContact CZ2-CG1 3.7Å; W82-I129 HydrophobicContact CZ3-CG1 3.91Å; W82-K132 HydrophobicContact CH2-CB 3.83Å; W82-K132 HydrophobicContact CH2-CG 4.08Å; W82-K132 HydrophobicContact CZ3-CB 4.47Å; W82-K132 HydrophobicContact CZ3-CG 4.35Å
83	K	97.5	Very high	94.1	Very high	111 Å²	111	67 Å²	67	48%	0.483	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.1	167.2	63.3	175.9	-176.8	176.8	0	109.4	I67 V68	I67-K83 CarbonylContact C-O 3.56Å; I67-K83 WeakPolarHBondContact CA-O 3.37Å; I67-K83 WeakPolarHBondContact CB-O 3.26Å; V68-K83 HydrophobicContact CG2-CG 4.08Å; V68-K83 PolarHBondContact N-O 2.82Å; V68-K83 PolarHBondContact O-N 3.23Å
84	L	98	Very high	94.4	Very high	29 Å²	29	66.2 Å²	66.2	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.6	168.6	-61.3	-178.2	0	0	0	109.9	I66 I67 W82 N86 I89 I90 K132 L133	I66-L84 HydrophobicContact CG2-CD2 4.04Å; I66-L84 WeakPolarHBondContact O-CA 3.5Å; I67-L84 HydrophobicContact CG2-CD2 4.32Å; W82-L84 HydrophobicContact CZ3-CD2 4.48Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.08Å; L84-I89 HydrophobicContact CB-CD1 4.3Å; L84-I90 HydrophobicContact CD1-CD1 3.81Å; L84-I90 HydrophobicContact CD1-CG1 4.01Å; L84-K132 HydrophobicContact CD1-CG 4.41Å; L84-L133 HydrophobicContact CD1-CD2 4.41Å; L84-L133 HydrophobicContact CD2-CD2 3.71Å
85	I	96.4	Very high	95	Very high	60 Å²	60	64.5 Å²	64.5	31%	0.308	32%	0.321	S	S	.	.	S	Bend	trans	-65.8	-38.7	-178.9	-66.4	173.7	0	0	0	111.3	G64 T65 I66 V68 I89	G64-I85 WeakPolarHBondContact O-CD1 3.46Å; T65-I85 WeakPolarHBondContact O-CD1 3.34Å; I66-I85 WeakPolarHBondContact O-CG1 3.44Å; I66-I85 PolarHBondContact O-N 2.94Å; V68-I85 HydrophobicContact CB-CG1 4.36Å; V68-I85 HydrophobicContact CG1-CD1 4.08Å; V68-I85 HydrophobicContact CG1-CG1 3.75Å; V68-I85 HydrophobicContact CG2-CG1 4.05Å; I85-I89 HydrophobicContact CB-CD1 4.05Å
86	N	96.3	Very high	95.6	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.123	29%	0.292	C	S	.	.			trans	-156.9	168.3	-179.4	66.1	74.4	0	0	0	110.5	L84 N88 I89 F216	L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 3.08Å; N86-N88 VanDerWaalsContact C-N 3.35Å; N86-N88 WeakPolarHBondContact OD1-CA 3.42Å; N86-N88 VanDerWaalsContact OD1-CB 3.31Å; N86-N88 WeakPolarHBondContact OD1-CB 3.37Å; N86-N88 PolarHBondContact OD1-N 3.19Å; N86-I89 PolarHBondContact OD1-N 2.88Å; N86-F216 HydrophobicContact CB-CZ 3.74Å
87	D	96.2	Very high	96	Very high	149 Å²	149	59.5 Å²	59.5	80%	0.797	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.4	-175.8	-60.8	-35.7	0	0	0	113.8	I89 P91	D87-I89 VanDerWaalsContact C-N 3.32Å; D87-I89 PolarHBondContact O-N 3.37Å; D87-P91 WeakPolarHBondContact O-CD 3.28Å
88	N	97.3	Very high	96.5	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.4	179.2	-72.3	-15.8	0	0	0	113.6	N86 I90 P91 K92 W215 F216	N86-N88 VanDerWaalsContact C-N 3.35Å; N86-N88 WeakPolarHBondContact OD1-CA 3.42Å; N86-N88 VanDerWaalsContact OD1-CB 3.31Å; N86-N88 WeakPolarHBondContact OD1-CB 3.37Å; N86-N88 PolarHBondContact OD1-N 3.19Å; N88-I90 PolarHBondContact O-N 2.87Å; N88-P91 WeakPolarHBondContact O-CD 3.25Å; N88-K92 WeakPolarHBondContact O-CB 3.35Å; N88-K92 WeakPolarHBondContact O-CG 3.18Å; N88-K92 PolarHBondContact O-N 3.44Å; N88-W215 WeakPolarHBondContact CB-O 3.44Å; N88-W215 PolarHBondContact ND2-O 3.04Å; N88-F216 WeakPolarHBondContact ND2-CD1 3.26Å; N88-F216 VanDerWaalsContact ND2-CE1 3.26Å; N88-F216 WeakPolarHBondContact ND2-CE1 3.35Å
89	I	98	Very high	96.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-52.7	-178.7	-69.3	171	0	0	0	111.1	I66 L84 I85 N86 D87 K92 L93 L133 W215	I66-I89 HydrophobicContact CG2-CG2 4.23Å; I66-I89 WeakPolarHBondContact O-CD1 3.48Å; L84-I89 HydrophobicContact CB-CD1 4.3Å; I85-I89 HydrophobicContact CB-CD1 4.05Å; N86-I89 PolarHBondContact OD1-N 2.88Å; D87-I89 VanDerWaalsContact C-N 3.32Å; D87-I89 PolarHBondContact O-N 3.37Å; I89-K92 PolarHBondContact O-N 3.49Å; I89-L93 HydrophobicContact CG2-CD1 3.61Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CB 3.45Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 2.9Å; I89-L133 HydrophobicContact CG2-CD2 3.81Å; I89-W215 HydrophobicContact CG1-CD2 4.02Å; I89-W215 HydrophobicContact CG1-CG 4.12Å
90	I	98.1	Very high	97.3	Very high	43 Å²	43	58.6 Å²	58.6	22%	0.221	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-50	-176.4	-65.1	173.6	0	0	0	111.4	L84 N88 K92 L93 K94 L133	L84-I90 HydrophobicContact CD1-CD1 3.81Å; L84-I90 HydrophobicContact CD1-CG1 4.01Å; N88-I90 PolarHBondContact O-N 2.87Å; I90-K92 PolarHBondContact O-N 3.04Å; I90-L93 PolarHBondContact O-N 3.14Å; I90-K94 HydrophobicContact CG2-CD 4.17Å; I90-K94 WeakPolarHBondContact O-CG 3.33Å; I90-K94 PolarHBondContact O-N 2.8Å; I90-L133 HydrophobicContact CG1-CD2 4.11Å
91	P	97.9	Very high	97.6	Very high	77 Å²	77	56.8 Å²	56.8	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-54.5	-47.6	174.5	-27.7	34.1	0	0	0	113.7	D87 N88 K94 E95	D87-P91 WeakPolarHBondContact O-CD 3.28Å; N88-P91 WeakPolarHBondContact O-CD 3.25Å; P91-K94 PolarHBondContact O-N 2.73Å; P91-E95 PolarHBondContact O-N 2.95Å
92	K	97.9	Very high	97.7	Very high	24 Å²	24	57 Å²	57	10%	0.104	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-43.8	-179.9	-79	-75.3	179.2	-178.1	0	112.1	N88 I89 I90 K94 E95 Y96 W215 D217	N88-K92 WeakPolarHBondContact O-CB 3.35Å; N88-K92 WeakPolarHBondContact O-CG 3.18Å; N88-K92 PolarHBondContact O-N 3.44Å; I89-K92 PolarHBondContact O-N 3.49Å; I90-K92 PolarHBondContact O-N 3.04Å; K92-K94 VanDerWaalsContact C-N 3.32Å; K92-K94 PolarHBondContact O-N 3.31Å; K92-E95 IonicContact NZ-OE2 3.79Å; K92-E95 WeakPolarHBondContact O-CB 3.18Å; K92-E95 PolarHBondContact O-N 3.03Å; K92-E95 VanDerWaalsContact O-N 3.16Å; K92-Y96 VanDerWaalsContact O-CD2 3.28Å; K92-Y96 WeakPolarHBondContact O-CD2 3.3Å; K92-Y96 PolarHBondContact O-N 3.2Å; K92-W215 HydrophobicContact CB-CE3 3.8Å; K92-W215 HydrophobicContact CB-CZ3 4.03Å; K92-W215 HydrophobicContact CG-CE3 4.32Å; K92-D217 WeakPolarHBondContact CE-OD2 3.35Å; K92-D217 IonicContact NZ-OD1 3.36Å; K92-D217 PolarHBondContact NZ-OD1 3.27Å; K92-D217 IonicContact NZ-OD2 2.79Å; K92-D217 PolarHBondContact NZ-OD2 3.02Å
93	L	98.2	Very high	97.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-41.2	177	-72.9	176.4	0	0	0	112.1	L58 L60 I89 I90 E95 Y96 F97 I103 L133 I135 W215	L58-L93 HydrophobicContact CD2-CD2 4.06Å; L60-L93 HydrophobicContact CD1-CD2 3.55Å; I89-L93 HydrophobicContact CG2-CD1 3.61Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CB 3.45Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 2.9Å; I90-L93 PolarHBondContact O-N 3.14Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-Y96 PolarHBondContact O-N 2.67Å; L93-F97 VanDerWaalsContact O-CB 3.3Å; L93-F97 WeakPolarHBondContact O-CB 2.96Å; L93-F97 PolarHBondContact O-N 3.1Å; L93-I103 HydrophobicContact CD2-CG2 4.02Å; L93-L133 HydrophobicContact CD1-CD1 4.17Å; L93-L133 HydrophobicContact CD1-CD2 3.86Å; L93-L133 HydrophobicContact CD1-CG 4.45Å; L93-I135 HydrophobicContact CB-CD1 3.77Å; L93-I135 HydrophobicContact CD1-CD1 4.09Å; L93-I135 HydrophobicContact CD2-CD1 4.45Å; L93-I135 HydrophobicContact CG-CD1 4.33Å; L93-W215 HydrophobicContact CD2-CH2 3.87Å; L93-W215 HydrophobicContact CD2-CZ3 4.1Å; L93-W215 HydrophobicContact CG-CH2 4.24Å; L93-W215 HydrophobicContact CG-CZ3 4.23Å
94	K	98.1	Very high	97.9	Very high	105 Å²	105	49.7 Å²	49.7	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-38.5	173.8	-73.2	-179.7	177.7	-176.3	0	112.3	I90 P91 K92 G98 I135	I90-K94 HydrophobicContact CG2-CD 4.17Å; I90-K94 WeakPolarHBondContact O-CG 3.33Å; I90-K94 PolarHBondContact O-N 2.8Å; P91-K94 PolarHBondContact O-N 2.73Å; K92-K94 VanDerWaalsContact C-N 3.32Å; K92-K94 PolarHBondContact O-N 3.31Å; K94-G98 PolarHBondContact O-N 3.49Å; K94-I135 HydrophobicContact CG-CG2 3.82Å
95	E	98	Very high	97.9	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-50.6	174.7	-172.5	-161.9	145.3	0	0	111.4	P91 K92 L93 G98 K99	P91-E95 PolarHBondContact O-N 2.95Å; K92-E95 IonicContact NZ-OE2 3.79Å; K92-E95 WeakPolarHBondContact O-CB 3.18Å; K92-E95 PolarHBondContact O-N 3.03Å; K92-E95 VanDerWaalsContact O-N 3.16Å; L93-E95 VanDerWaalsContact C-N 3.34Å; E95-G98 PolarHBondContact O-N 3.27Å; E95-K99 HydrophobicContact CG-CD 4.45Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3.02Å; E95-K99 WeakPolarHBondContact OE1-CE 3.45Å; E95-K99 IonicContact OE1-NZ 2.6Å; E95-K99 PolarHBondContact OE1-NZ 3.38Å
96	Y	98.2	Very high	98	Very high	30 Å²	30	45.5 Å²	45.5	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-44	177.3	-83.6	-80.5	0	0	0	111.9	L58 K92 L93 G98 K99 G100 Y101 L175 L214	L58-Y96 HydrophobicContact CD2-CD1 4.07Å; L58-Y96 HydrophobicContact CD2-CD2 3.7Å; L58-Y96 HydrophobicContact CD2-CE2 4.32Å; L58-Y96 HydrophobicContact CD2-CG 3.57Å; K92-Y96 VanDerWaalsContact O-CD2 3.28Å; K92-Y96 WeakPolarHBondContact O-CD2 3.3Å; K92-Y96 PolarHBondContact O-N 3.2Å; L93-Y96 PolarHBondContact O-N 2.67Å; Y96-G98 VanDerWaalsContact C-N 3.33Å; Y96-G98 PolarHBondContact O-N 3.47Å; Y96-K99 CarbonylContact O-C 3.56Å; Y96-K99 WeakPolarHBondContact O-CA 2.95Å; Y96-K99 WeakPolarHBondContact O-CB 3.13Å; Y96-K99 PolarHBondContact O-N 2.84Å; Y96-G100 PolarHBondContact O-N 3.1Å; Y96-Y101 HydrophobicContact CD1-CD1 4.17Å; Y96-Y101 AromaticContact CD1-CD2 3.76Å; Y96-Y101 HydrophobicContact CD1-CD2 3.76Å; Y96-Y101 HydrophobicContact CD1-CE1 4.22Å; Y96-Y101 AromaticContact CD1-CE2 3.81Å; Y96-Y101 HydrophobicContact CD1-CE2 3.81Å; Y96-Y101 AromaticContact CD1-CG 3.94Å; Y96-Y101 HydrophobicContact CD1-CG 3.94Å; Y96-Y101 HydrophobicContact CE1-CE1 4.48Å; Y96-Y101 HydrophobicContact CE1-CE2 4.32Å; Y96-Y101 WeakPolarHBondContact O-CB 3.27Å; Y96-Y101 WeakPolarHBondContact O-CD2 3.45Å; Y96-Y101 PolarHBondContact O-N 3.44Å; Y96-Y101 VanDerWaalsContact O-N 3.09Å; Y96-L175 HydrophobicContact CE1-CD2 3.9Å; Y96-L214 HydrophobicContact CD2-CD1 4.49Å; Y96-L214 HydrophobicContact CE2-CD1 3.5Å; Y96-L214 WeakPolarHBondContact OH-CD1 3.31Å
97	F	97.8	Very high	98.1	Very high	87 Å²	87	44.5 Å²	44.5	38%	0.382	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-45.1	175.6	-175.1	-103.4	0	0	0	111.4	L93 K99 G100 I103 P136	L93-F97 VanDerWaalsContact O-CB 3.3Å; L93-F97 WeakPolarHBondContact O-CB 2.96Å; L93-F97 PolarHBondContact O-N 3.1Å; F97-K99 PolarHBondContact O-N 3.39Å; F97-G100 PolarHBondContact O-N 3.05Å; F97-I103 HydrophobicContact CB-CG1 4.48Å; F97-I103 HydrophobicContact CD2-CG1 4.38Å; F97-P136 HydrophobicContact CE2-CB 4.36Å; F97-P136 HydrophobicContact CE2-CG 3.97Å; F97-P136 HydrophobicContact CZ-CG 3.83Å
98	G	97.9	Very high	98.2	Very high	69 Å²	69	38.9 Å²	38.9	71%	0.711	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-23.2	174.9	0	0	0	0	0	114.3	K94 E95 Y96 G100	K94-G98 PolarHBondContact O-N 3.49Å; E95-G98 PolarHBondContact O-N 3.27Å; Y96-G98 VanDerWaalsContact C-N 3.33Å; Y96-G98 PolarHBondContact O-N 3.47Å; G98-G100 PolarHBondContact O-N 3.15Å
99	K	98	Very high	98.2	Very high	112 Å²	112	36.1 Å²	36.1	49%	0.487	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.3	172.7	-71	170.8	175.4	177.9	0	113.5	E95 Y96 F97 Y101	E95-K99 HydrophobicContact CG-CD 4.45Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3.02Å; E95-K99 WeakPolarHBondContact OE1-CE 3.45Å; E95-K99 IonicContact OE1-NZ 2.6Å; E95-K99 PolarHBondContact OE1-NZ 3.38Å; Y96-K99 CarbonylContact O-C 3.56Å; Y96-K99 WeakPolarHBondContact O-CA 2.95Å; Y96-K99 WeakPolarHBondContact O-CB 3.13Å; Y96-K99 PolarHBondContact O-N 2.84Å; F97-K99 PolarHBondContact O-N 3.39Å; K99-Y101 HydrophobicContact CB-CD2 3.94Å; K99-Y101 HydrophobicContact CB-CE2 4.11Å
100	G	97.9	Very high	98	Very high	39 Å²	39	36.7 Å²	36.7	40%	0.402	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	16.7	178.3	0	0	0	0	0	114.2	S54 Y96 F97 G98	S54-G100 WeakPolarHBondContact CB-O 3.41Å; S54-G100 PolarHBondContact OG-O 2.89Å; Y96-G100 PolarHBondContact O-N 3.1Å; F97-G100 PolarHBondContact O-N 3.05Å; G98-G100 PolarHBondContact O-N 3.15Å
101	Y	98.7	Very high	97.7	Very high	39 Å²	39	35.8 Å²	35.8	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.3	173	-73.2	-105.9	0	0	0	110.6	K56 L58 Y96 K99 A173	K56-Y101 HydrophobicContact CB-CD1 3.82Å; K56-Y101 HydrophobicContact CB-CD2 4.35Å; K56-Y101 HydrophobicContact CB-CE1 4.01Å; K56-Y101 HydrophobicContact CB-CG 4.02Å; K56-Y101 HydrophobicContact CD-CD2 4.4Å; K56-Y101 HydrophobicContact CD-CE2 4.1Å; K56-Y101 CarbonylContact O-C 3.53Å; K56-Y101 WeakPolarHBondContact O-CA 3.45Å; L58-Y101 HydrophobicContact CB-CD1 3.98Å; L58-Y101 HydrophobicContact CB-CG 4.43Å; Y96-Y101 HydrophobicContact CD1-CD1 4.17Å; Y96-Y101 AromaticContact CD1-CD2 3.76Å; Y96-Y101 HydrophobicContact CD1-CD2 3.76Å; Y96-Y101 HydrophobicContact CD1-CE1 4.22Å; Y96-Y101 AromaticContact CD1-CE2 3.81Å; Y96-Y101 HydrophobicContact CD1-CE2 3.81Å; Y96-Y101 AromaticContact CD1-CG 3.94Å; Y96-Y101 HydrophobicContact CD1-CG 3.94Å; Y96-Y101 HydrophobicContact CE1-CE1 4.48Å; Y96-Y101 HydrophobicContact CE1-CE2 4.32Å; Y96-Y101 WeakPolarHBondContact O-CB 3.27Å; Y96-Y101 WeakPolarHBondContact O-CD2 3.45Å; Y96-Y101 PolarHBondContact O-N 3.44Å; Y96-Y101 VanDerWaalsContact O-N 3.09Å; K99-Y101 HydrophobicContact CB-CD2 3.94Å; K99-Y101 HydrophobicContact CB-CE2 4.11Å; Y101-A173 VanDerWaalsContact CE1-O 3.28Å; Y101-A173 WeakPolarHBondContact CE1-O 3.43Å; Y101-A173 PolarHBondContact OH-O 3.35Å
102	K	98.7	Very high	97.5	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129	161.3	177.6	178.6	179.1	171.1	0	108.9	E52 K56 I57 L58 V104 G163 N164	E52-K102 WeakPolarHBondContact O-CD 3.24Å; K56-K102 PolarHBondContact O-N 3.37Å; I57-K102 HydrophobicContact CD1-CB 3.82Å; I57-K102 HydrophobicContact CD1-CD 3.97Å; I57-K102 HydrophobicContact CD1-CG 4.29Å; L58-K102 PolarHBondContact N-O 3.01Å; K102-V104 HydrophobicContact CD-CG2 4.24Å; K102-V104 HydrophobicContact CG-CG2 3.95Å; K102-G163 PolarHBondContact NZ-O 2.78Å; K102-N164 WeakPolarHBondContact CD-OD1 3.44Å; K102-N164 PolarHBondContact NZ-OD1 3.4Å
103	I	98.7	Very high	97.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.8	-178.8	-47.8	-53.1	0	0	0	109.2	L58 L60 L93 F97 I135 I137 Q138	L58-I103 HydrophobicContact CB-CD1 3.86Å; L58-I103 HydrophobicContact CD2-CD1 3.99Å; L58-I103 HydrophobicContact CG-CD1 4.32Å; L60-I103 HydrophobicContact CD1-CG2 3.92Å; L93-I103 HydrophobicContact CD2-CG2 4.02Å; F97-I103 HydrophobicContact CB-CG1 4.48Å; F97-I103 HydrophobicContact CD2-CG1 4.38Å; I103-I135 HydrophobicContact CB-CD1 4.03Å; I103-I135 HydrophobicContact CG1-CD1 3.7Å; I103-I135 HydrophobicContact CG2-CD1 3.91Å; I103-I137 HydrophobicContact CB-CG1 4.22Å; I103-I137 HydrophobicContact CG2-CG1 3.98Å; I103-Q138 PolarHBondContact O-N 3.41Å; I103-Q138 VanDerWaalsContact O-N 3.15Å
104	V	98.9	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.2	-174.7	-176.1	0	0	0	0	111.3	I57 L58 G59 L60 K102 L106 Q138 F140 L159	I57-V104 HydrophobicContact CG2-CB 4.15Å; I57-V104 HydrophobicContact CG2-CG2 3.82Å; L58-V104 PolarHBondContact O-N 3.4Å; G59-V104 CarbonylContact C-O 3.53Å; G59-V104 WeakPolarHBondContact CA-O 3.38Å; L60-V104 PolarHBondContact N-O 3.3Å; K102-V104 HydrophobicContact CD-CG2 4.24Å; K102-V104 HydrophobicContact CG-CG2 3.95Å; V104-L106 HydrophobicContact CG1-CD1 4.5Å; V104-L106 HydrophobicContact CG1-CD2 4.18Å; V104-L106 HydrophobicContact CG1-CG 4.02Å; V104-Q138 CarbonylContact C-O 2.98Å; V104-Q138 WeakPolarHBondContact CA-O 3.2Å; V104-F140 HydrophobicContact CG1-CD2 3.47Å; V104-F140 VanDerWaalsContact CG1-CD2 3.47Å; V104-F140 HydrophobicContact CG1-CE2 3.53Å; V104-L159 HydrophobicContact CG1-CD2 4.24Å; V104-L159 HydrophobicContact CG2-CD1 4.18Å; V104-L159 HydrophobicContact CG2-CD2 4.06Å
105	L	98.9	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.1	168.5	-53.9	-177.8	0	0	0	110.2	L60 I66 I137 Q138 G139 F140 F141	L60-L105 HydrophobicContact CB-CD2 4.02Å; L60-L105 HydrophobicContact CD1-CD2 4.44Å; L60-L105 CarbonylContact O-C 3.55Å; L60-L105 WeakPolarHBondContact O-CA 3.46Å; I66-L105 HydrophobicContact CD1-CD2 3.31Å; L105-I137 HydrophobicContact CD1-CG2 3.93Å; L105-I137 HydrophobicContact CD2-CG2 4.5Å; L105-I137 HydrophobicContact CG-CG2 3.67Å; L105-Q138 PolarHBondContact N-O 3.01Å; L105-G139 CarbonylContact O-C 3.45Å; L105-G139 WeakPolarHBondContact O-CA 3.27Å; L105-F140 PolarHBondContact O-N 3.05Å; L105-F141 HydrophobicContact CB-CE1 4.32Å; L105-F141 HydrophobicContact CB-CZ 4.42Å; L105-F141 HydrophobicContact CD1-CZ 4.39Å
106	L	98.8	Very high	95.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	98.5	179.3	-62.6	155.7	0	0	0	107.8	L60 V104 F140 K150 M155 W156 Y176 F200	L60-L106 PolarHBondContact O-N 3.38Å; V104-L106 HydrophobicContact CG1-CD1 4.5Å; V104-L106 HydrophobicContact CG1-CD2 4.18Å; V104-L106 HydrophobicContact CG1-CG 4.02Å; L106-F140 WeakPolarHBondContact CA-O 3.36Å; L106-F140 HydrophobicContact CD2-CB 4.07Å; L106-F140 HydrophobicContact CD2-CD2 4.05Å; L106-F140 HydrophobicContact CD2-CG 4.33Å; L106-K150 VanDerWaalsContact O-CE 3.3Å; L106-K150 WeakPolarHBondContact O-CE 3.37Å; L106-K150 PolarHBondContact O-NZ 2.82Å; L106-M155 HydrophobicContact CB-CE 4.01Å; L106-M155 HydrophobicContact CD2-CB 3.54Å; L106-W156 HydrophobicContact CD1-CE3 4.2Å; L106-Y176 HydrophobicContact CB-CE2 3.99Å; L106-Y176 HydrophobicContact CD1-CD2 3.87Å; L106-Y176 HydrophobicContact CD1-CE2 3.72Å; L106-Y176 HydrophobicContact CG-CE2 4.45Å; L106-Y176 PolarHBondContact O-OH 3.34Å; L106-F200 HydrophobicContact CD1-CE1 3.76Å; L106-F200 HydrophobicContact CD1-CZ 3.84Å; L106-F200 HydrophobicContact CD2-CZ 4.45Å
107	S	98.6	Very high	95.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.6	-168.6	-167.8	0	0	0	0	114.8	D61 Q109 F140 F141 S142	D61-S107 PolarHBondContact OD1-OG 2.79Å; S107-Q109 PolarHBondContact O-N 2.87Å; S107-Q109 PolarHBondContact OG-NE2 2.81Å; S107-F140 PolarHBondContact N-O 3.14Å; S107-F141 CarbonylContact O-C 3.57Å; S107-F141 WeakPolarHBondContact O-CA 3.35Å; S107-S142 PolarHBondContact O-N 2.84Å
108	N	97.9	Very high	95.1	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	100.9	179.7	-81.7	2.4	0	0	0	110.8	S142 R149 K150	N108-S142 PolarHBondContact OD1-OG 3.15Å; N108-R149 WeakPolarHBondContact ND2-CG 3.38Å; N108-K150 PolarHBondContact ND2-N 3.03Å; N108-K150 PolarHBondContact ND2-O 2.88Å; N108-K150 WeakPolarHBondContact OD1-CB 2.89Å; N108-K150 PolarHBondContact OD1-N 3.03Å
109	Q	96.3	Very high	94.9	Very high	11 Å²	11	41.9 Å²	41.9	5%	0.051	23%	0.229	C	C	.	.			trans	-110.2	43.5	-173.2	-62.5	-61.9	-34.5	0	0	113.4	M62 D63 S107 G111 I112 F122 F141 S142 I143	M62-Q109 VanDerWaalsContact CE-NE2 3.32Å; D63-Q109 PolarHBondContact OD2-NE2 3.41Å; S107-Q109 PolarHBondContact O-N 2.87Å; S107-Q109 PolarHBondContact OG-NE2 2.81Å; Q109-G111 PolarHBondContact O-N 2.87Å; Q109-I112 HydrophobicContact CB-CD1 4.02Å; Q109-I112 PolarHBondContact O-N 3.42Å; Q109-I112 VanDerWaalsContact O-N 3.11Å; Q109-F122 HydrophobicContact CB-CE2 4.41Å; Q109-F122 HydrophobicContact CB-CZ 4.46Å; Q109-F122 HydrophobicContact CG-CE2 3.68Å; Q109-F122 HydrophobicContact CG-CZ 3.69Å; Q109-F141 HydrophobicContact CG-CB 4.11Å; Q109-F141 HydrophobicContact CG-CD1 4.23Å; Q109-S142 CarbonylContact C-O 3.3Å; Q109-S142 WeakPolarHBondContact CA-O 3.21Å; Q109-S142 PolarHBondContact N-O 3.34Å; Q109-I143 HydrophobicContact CB-CG2 4.46Å
110	G	93.9	Very high	94.7	Very high	12 Å²	12	38.6 Å²	38.6	12%	0.124	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-3.4	179.1	0	0	0	0	0	115.2	I112 T113 K114	G110-I112 VanDerWaalsContact C-N 3.28Å; G110-T113 PolarHBondContact O-OG1 3.47Å; G110-K114 WeakPolarHBondContact O-CG 3.2Å
111	G	92.4	Very high	94.5	Very high	24 Å²	24	37.2 Å²	37.2	25%	0.247	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.6	169.9	0	0	0	0	0	112.8	Q109 K114 G115 Y116	Q109-G111 PolarHBondContact O-N 2.87Å; G111-K114 PolarHBondContact O-N 2.92Å; G111-G115 PolarHBondContact O-N 3.14Å; G111-Y116 PolarHBondContact O-N 2.86Å
112	I	93	Very high	94.4	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-51.8	-179.2	-66.4	175.4	0	0	0	110.6	L44 Q109 G110 K114 G115 Q117 I119 F122 I143	L44-I112 HydrophobicContact CD1-CD1 4.09Å; Q109-I112 HydrophobicContact CB-CD1 4.02Å; Q109-I112 PolarHBondContact O-N 3.42Å; Q109-I112 VanDerWaalsContact O-N 3.11Å; G110-I112 VanDerWaalsContact C-N 3.28Å; I112-K114 PolarHBondContact O-N 3.3Å; I112-G115 PolarHBondContact O-N 2.88Å; I112-Q117 WeakPolarHBondContact CA-O 3.27Å; I112-Q117 HydrophobicContact CG1-CB 4.22Å; I112-Q117 HydrophobicContact CG1-CG 4.44Å; I112-I119 HydrophobicContact CG2-CD1 4.27Å; I112-I119 HydrophobicContact CG2-CG1 3.59Å; I112-F122 HydrophobicContact CD1-CB 4.08Å; I112-F122 HydrophobicContact CD1-CD1 3.89Å; I112-F122 HydrophobicContact CD1-CD2 4.06Å; I112-F122 HydrophobicContact CD1-CE1 4.39Å; I112-F122 HydrophobicContact CD1-CG 3.72Å; I112-I143 HydrophobicContact CB-CG2 4.29Å; I112-I143 HydrophobicContact CD1-CG2 3.85Å; I112-I143 HydrophobicContact CG2-CG2 4.45Å
113	T	91.7	Very high	94.3	Very high	74 Å²	74	35 Å²	35	45%	0.454	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.2	-179.5	52.4	0	0	0	0	113.8	G110 G115 I143 L144	G110-T113 PolarHBondContact O-OG1 3.47Å; T113-G115 VanDerWaalsContact C-N 3.3Å; T113-I143 WeakPolarHBondContact CB-O 3.4Å; T113-I143 HydrophobicContact CG2-CB 4.04Å; T113-I143 HydrophobicContact CG2-CD1 4.25Å; T113-I143 HydrophobicContact CG2-CG1 4.22Å; T113-I143 WeakPolarHBondContact CG2-O 3.15Å; T113-I143 PolarHBondContact OG1-O 3.21Å; T113-L144 HydrophobicContact CG2-CD2 3.67Å; T113-L144 HydrophobicContact CG2-CG 4.4Å
114	K	89.9	Confident	94.1	Very high	145 Å²	145	35.6 Å²	35.6	63%	0.63	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-3.4	169.8	-67.8	176.6	-174.6	177.5	0	113.1	G110 G111 I112 Y116	G110-K114 WeakPolarHBondContact O-CG 3.2Å; G111-K114 PolarHBondContact O-N 2.92Å; I112-K114 PolarHBondContact O-N 3.3Å; K114-Y116 VanDerWaalsContact C-N 3.29Å; K114-Y116 HydrophobicContact CB-CD2 3.7Å; K114-Y116 HydrophobicContact CB-CE2 3.66Å; K114-Y116 HydrophobicContact CB-CG 4.29Å; K114-Y116 HydrophobicContact CD-CD2 4.22Å; K114-Y116 HydrophobicContact CD-CE2 3.74Å; K114-Y116 HydrophobicContact CG-CE2 4.33Å; K114-Y116 PolarHBondContact O-N 3.16Å
115	G	89.3	Confident	94	Very high	58 Å²	58	36 Å²	36	60%	0.598	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	14.7	-178.5	0	0	0	0	0	114.3	G111 I112 T113 Q117	G111-G115 PolarHBondContact O-N 3.14Å; I112-G115 PolarHBondContact O-N 2.88Å; T113-G115 VanDerWaalsContact C-N 3.3Å; G115-Q117 VanDerWaalsContact C-N 3.33Å
116	Y	87.4	Confident	94	Very high	168 Å²	168	36 Å²	36	66%	0.659	20%	0.199	S	C	*	.	S	Bend	trans	-81.9	-16.1	175.5	-58	-38.6	0	0	0	112.9	G111 K114	G111-Y116 PolarHBondContact O-N 2.86Å; K114-Y116 VanDerWaalsContact C-N 3.29Å; K114-Y116 HydrophobicContact CB-CD2 3.7Å; K114-Y116 HydrophobicContact CB-CE2 3.66Å; K114-Y116 HydrophobicContact CB-CG 4.29Å; K114-Y116 HydrophobicContact CD-CD2 4.22Å; K114-Y116 HydrophobicContact CD-CE2 3.74Å; K114-Y116 HydrophobicContact CG-CE2 4.33Å; K114-Y116 PolarHBondContact O-N 3.16Å
117	Q	87.4	Confident	93.8	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	20%	0.203	C	C	.	.	S	Bend	trans	-147	135.6	177.2	-174.4	169.1	23.2	0	0	109.1	I112 G115 F122	I112-Q117 WeakPolarHBondContact CA-O 3.27Å; I112-Q117 HydrophobicContact CG1-CB 4.22Å; I112-Q117 HydrophobicContact CG1-CG 4.44Å; G115-Q117 VanDerWaalsContact C-N 3.33Å; Q117-F122 HydrophobicContact CG-CB 4.13Å
118	D	92.3	Very high	93.7	Very high	35 Å²	35	39.5 Å²	39.5	19%	0.187	22%	0.218	C	C	.	.			trans	-87.6	152	173.4	65	100.8	0	0	0	111.5	T25 P120 S121 F122	T25-D118 WeakPolarHBondContact CG2-OD1 3.32Å; D118-P120 WeakPolarHBondContact OD1-CD 3.26Å; D118-S121 VanDerWaalsContact OD1-CB 3.24Å; D118-S121 WeakPolarHBondContact OD1-CB 3.32Å; D118-S121 PolarHBondContact OD1-N 3.09Å; D118-S121 PolarHBondContact OD1-OG 3.22Å; D118-S121 VanDerWaalsContact OD2-CB 3.23Å; D118-S121 WeakPolarHBondContact OD2-CB 3.48Å; D118-S121 PolarHBondContact OD2-OG 3.36Å; D118-F122 WeakPolarHBondContact O-CB 3.44Å; D118-F122 PolarHBondContact O-N 3.24Å
119	I	93.7	Very high	93.7	Very high	62 Å²	62	38 Å²	38	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-47.1	-178.3	-66.7	174.1	0	0	0	111.9	L44 I112 S121 F122 K123	L44-I119 HydrophobicContact CD1-CG1 4.48Å; L44-I119 HydrophobicContact CD1-CG2 4.31Å; I112-I119 HydrophobicContact CG2-CD1 4.27Å; I112-I119 HydrophobicContact CG2-CG1 3.59Å; I119-S121 PolarHBondContact O-N 2.82Å; I119-F122 WeakPolarHBondContact O-CB 3.43Å; I119-F122 PolarHBondContact O-N 3.18Å; I119-K123 HydrophobicContact CG2-CD 4.23Å; I119-K123 HydrophobicContact CG2-CG 4.17Å; I119-K123 WeakPolarHBondContact O-CG 3.43Å; I119-K123 PolarHBondContact O-N 3.15Å
120	P	94.4	Very high	93.8	Very high	43 Å²	43	37.6 Å²	37.6	28%	0.279	21%	0.208	S	C	.	.	H	α-helix	trans	-56.7	-50.2	179.5	-27.5	35.7	0	0	0	113.3	I32 D118 F122 K123 L124	I32-P120 HydrophobicContact CD1-CB 3.7Å; I32-P120 VanDerWaalsContact CD1-O 3.28Å; I32-P120 WeakPolarHBondContact CD1-O 3.37Å; D118-P120 WeakPolarHBondContact OD1-CD 3.26Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 PolarHBondContact O-N 3.07Å; P120-K123 PolarHBondContact O-N 2.93Å; P120-L124 PolarHBondContact O-N 2.89Å
121	S	94.2	Very high	93.9	Very high	10 Å²	10	42 Å²	42	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-36.9	178.4	-59	0	0	0	0	112	Y79 D118 I119 K125	Y79-S121 WeakPolarHBondContact CB-O 3.43Å; D118-S121 VanDerWaalsContact OD1-CB 3.24Å; D118-S121 WeakPolarHBondContact OD1-CB 3.32Å; D118-S121 PolarHBondContact OD1-N 3.09Å; D118-S121 PolarHBondContact OD1-OG 3.22Å; D118-S121 VanDerWaalsContact OD2-CB 3.23Å; D118-S121 WeakPolarHBondContact OD2-CB 3.48Å; D118-S121 PolarHBondContact OD2-OG 3.36Å; I119-S121 PolarHBondContact O-N 2.82Å; S121-K125 PolarHBondContact O-N 2.89Å
122	F	95.7	Very high	94.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-47	173.1	179.6	-97.6	0	0	0	112.3	W37 L44 M62 Q109 I112 Q117 D118 I119 P120 L124 K125 I126 F141	W37-F122 HydrophobicContact CH2-CE1 4.43Å; L44-F122 HydrophobicContact CD1-CD1 4.05Å; L44-F122 HydrophobicContact CD1-CE1 4.27Å; M62-F122 HydrophobicContact CE-CE2 4.14Å; Q109-F122 HydrophobicContact CB-CE2 4.41Å; Q109-F122 HydrophobicContact CB-CZ 4.46Å; Q109-F122 HydrophobicContact CG-CE2 3.68Å; Q109-F122 HydrophobicContact CG-CZ 3.69Å; I112-F122 HydrophobicContact CD1-CB 4.08Å; I112-F122 HydrophobicContact CD1-CD1 3.89Å; I112-F122 HydrophobicContact CD1-CD2 4.06Å; I112-F122 HydrophobicContact CD1-CE1 4.39Å; I112-F122 HydrophobicContact CD1-CG 3.72Å; Q117-F122 HydrophobicContact CG-CB 4.13Å; D118-F122 WeakPolarHBondContact O-CB 3.44Å; D118-F122 PolarHBondContact O-N 3.24Å; I119-F122 WeakPolarHBondContact O-CB 3.43Å; I119-F122 PolarHBondContact O-N 3.18Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 PolarHBondContact O-N 3.07Å; F122-L124 VanDerWaalsContact C-N 3.31Å; F122-L124 PolarHBondContact O-N 3.27Å; F122-K125 WeakPolarHBondContact O-CB 3.38Å; F122-K125 PolarHBondContact O-N 2.85Å; F122-K125 VanDerWaalsContact O-N 3.16Å; F122-I126 HydrophobicContact CD1-CG1 4.28Å; F122-I126 HydrophobicContact CE1-CD1 4.3Å; F122-I126 HydrophobicContact CE1-CG1 3.73Å; F122-I126 HydrophobicContact CE2-CD1 4.13Å; F122-I126 HydrophobicContact CE2-CG1 4.29Å; F122-I126 HydrophobicContact CZ-CD1 3.77Å; F122-I126 HydrophobicContact CZ-CG1 3.72Å; F122-I126 WeakPolarHBondContact O-CG1 3.31Å; F122-I126 PolarHBondContact O-N 3.36Å; F122-F141 HydrophobicContact CE1-CB 3.98Å; F122-F141 HydrophobicContact CE1-CD1 4.04Å; F122-F141 AromaticContact CE1-CD2 3.81Å; F122-F141 HydrophobicContact CE1-CD2 3.81Å; F122-F141 HydrophobicContact CE1-CE1 4.49Å; F122-F141 HydrophobicContact CE1-CE2 4.28Å; F122-F141 AromaticContact CE1-CG 3.66Å; F122-F141 HydrophobicContact CE1-CG 3.66Å; F122-F141 HydrophobicContact CZ-CB 4Å; F122-F141 AromaticContact CZ-CD1 3.49Å; F122-F141 HydrophobicContact CZ-CD1 3.49Å; F122-F141 VanDerWaalsContact CZ-CD1 3.49Å; F122-F141 HydrophobicContact CZ-CD2 4.11Å; F122-F141 AromaticContact CZ-CE1 3.91Å; F122-F141 HydrophobicContact CZ-CE1 3.91Å; F122-F141 HydrophobicContact CZ-CE2 4.48Å; F122-F141 AromaticContact CZ-CG 3.58Å; F122-F141 HydrophobicContact CZ-CG 3.58Å; F122-F141 HydrophobicContact CZ-CZ 4.39Å
123	K	96.6	Very high	94.4	Very high	3 Å²	3	46 Å²	46	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-44.4	178.4	-73.4	-169.9	170.8	-162.7	0	111.7	I32 E34 W37 I119 P120 K125 I126 Q127	I32-K123 HydrophobicContact CD1-CB 4.23Å; I32-K123 HydrophobicContact CG1-CB 4.41Å; I32-K123 HydrophobicContact CG2-CB 3.92Å; I32-K123 HydrophobicContact CG2-CD 3.85Å; E34-K123 IonicContact OE1-NZ 3.74Å; E34-K123 PolarHBondContact OE1-NZ 3.12Å; E34-K123 IonicContact OE2-NZ 3.77Å; E34-K123 PolarHBondContact OE2-NZ 3Å; W37-K123 HydrophobicContact CB-CD 4.48Å; W37-K123 HydrophobicContact CD2-CB 4.39Å; W37-K123 HydrophobicContact CD2-CD 3.7Å; W37-K123 HydrophobicContact CD2-CG 3.75Å; W37-K123 HydrophobicContact CE3-CD 4.22Å; W37-K123 HydrophobicContact CE3-CG 3.98Å; W37-K123 HydrophobicContact CG-CD 3.8Å; W37-K123 HydrophobicContact CG-CG 4.37Å; W37-K123 HydrophobicContact CH2-CB 4.18Å; W37-K123 HydrophobicContact CH2-CG 3.91Å; W37-K123 VanDerWaalsContact CZ2-CA 3.43Å; W37-K123 HydrophobicContact CZ2-CB 3.62Å; W37-K123 HydrophobicContact CZ2-CD 4.45Å; W37-K123 HydrophobicContact CZ2-CG 3.7Å; W37-K123 WeakPolarHBondContact CZ2-O 3.48Å; W37-K123 HydrophobicContact CZ3-CG 4.05Å; I119-K123 HydrophobicContact CG2-CD 4.23Å; I119-K123 HydrophobicContact CG2-CG 4.17Å; I119-K123 WeakPolarHBondContact O-CG 3.43Å; I119-K123 PolarHBondContact O-N 3.15Å; P120-K123 PolarHBondContact O-N 2.93Å; K123-K125 PolarHBondContact O-N 3.33Å; K123-I126 PolarHBondContact O-N 3.42Å; K123-Q127 PolarHBondContact O-N 2.89Å
124	L	95.2	Very high	94.6	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-38.9	176.9	-172.1	61.4	0	0	0	112.3	L28 I32 Y79 P120 F122 I126 Q127 N128	L28-L124 HydrophobicContact CD2-CD2 3.56Å; I32-L124 HydrophobicContact CG1-CB 4.31Å; Y79-L124 HydrophobicContact CD2-CD2 4.39Å; Y79-L124 HydrophobicContact CE2-CD2 3.66Å; Y79-L124 HydrophobicContact CE2-CG 4.21Å; P120-L124 PolarHBondContact O-N 2.89Å; F122-L124 VanDerWaalsContact C-N 3.31Å; F122-L124 PolarHBondContact O-N 3.27Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.2Å; L124-Q127 PolarHBondContact O-N 3.27Å; L124-N128 WeakPolarHBondContact O-CB 3.47Å; L124-N128 PolarHBondContact O-N 3.32Å; L124-N128 PolarHBondContact O-ND2 3.04Å
125	K	96.9	Very high	94.9	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-54.5	-47.2	171.6	175.1	-176.2	173.1	-170.5	0	110.8	D63 S121 F122 K123 N128 I129	D63-K125 IonicContact OD1-NZ 2.8Å; D63-K125 PolarHBondContact OD1-NZ 3.29Å; S121-K125 PolarHBondContact O-N 2.89Å; F122-K125 WeakPolarHBondContact O-CB 3.38Å; F122-K125 PolarHBondContact O-N 2.85Å; F122-K125 VanDerWaalsContact O-N 3.16Å; K123-K125 PolarHBondContact O-N 3.33Å; K125-N128 PolarHBondContact O-N 3.02Å; K125-I129 HydrophobicContact CD-CD1 4.4Å; K125-I129 HydrophobicContact CG-CD1 3.7Å; K125-I129 WeakPolarHBondContact O-CD1 3.4Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.47Å; K125-I129 PolarHBondContact O-N 3.34Å
126	I	97.8	Very high	95.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-46.6	-179.6	-62.7	-50.9	0	0	0	111.6	W37 Y46 M62 F122 K123 L124 N128 I129 V130 F141	W37-I126 HydrophobicContact CH2-CB 3.69Å; W37-I126 HydrophobicContact CH2-CG1 3.83Å; W37-I126 HydrophobicContact CH2-CG2 3.81Å; W37-I126 HydrophobicContact CZ2-CB 3.84Å; W37-I126 HydrophobicContact CZ2-CG1 4.45Å; W37-I126 HydrophobicContact CZ2-CG2 4Å; Y46-I126 HydrophobicContact CD1-CG2 4.28Å; Y46-I126 HydrophobicContact CG-CG2 4.11Å; M62-I126 HydrophobicContact CE-CD1 4.14Å; M62-I126 HydrophobicContact SD-CD1 3.32Å; M62-I126 WeakPolarHBondContact SD-CD1 3.33Å; F122-I126 HydrophobicContact CD1-CG1 4.28Å; F122-I126 HydrophobicContact CE1-CD1 4.3Å; F122-I126 HydrophobicContact CE1-CG1 3.73Å; F122-I126 HydrophobicContact CE2-CD1 4.13Å; F122-I126 HydrophobicContact CE2-CG1 4.29Å; F122-I126 HydrophobicContact CZ-CD1 3.77Å; F122-I126 HydrophobicContact CZ-CG1 3.72Å; F122-I126 WeakPolarHBondContact O-CG1 3.31Å; F122-I126 PolarHBondContact O-N 3.36Å; K123-I126 PolarHBondContact O-N 3.42Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.2Å; I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 PolarHBondContact O-N 2.79Å; I126-I129 HydrophobicContact CD1-CD1 4.32Å; I126-I129 PolarHBondContact O-N 2.97Å; I126-V130 HydrophobicContact CG2-CG2 4.27Å; I126-V130 WeakPolarHBondContact O-CG2 3.5Å; I126-V130 PolarHBondContact O-N 2.94Å; I126-F141 HydrophobicContact CB-CZ 4.42Å; I126-F141 HydrophobicContact CD1-CE1 3.67Å; I126-F141 HydrophobicContact CD1-CE2 4.36Å; I126-F141 HydrophobicContact CD1-CZ 3.54Å; I126-F141 HydrophobicContact CG1-CE1 4.19Å; I126-F141 HydrophobicContact CG1-CE2 4Å; I126-F141 HydrophobicContact CG1-CZ 3.66Å; I126-F141 HydrophobicContact CG2-CE2 4.1Å; I126-F141 HydrophobicContact CG2-CZ 3.84Å
127	Q	96.3	Very high	95.9	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-55.1	-49.2	175.3	-77.8	174.3	-161.6	0	0	111.6	S31 Y46 K123 L124 I129 V130 D131	S31-Q127 PolarHBondContact O-NE2 3.12Å; Y46-Q127 HydrophobicContact CE2-CG 4.14Å; K123-Q127 PolarHBondContact O-N 2.89Å; L124-Q127 PolarHBondContact O-N 3.27Å; Q127-I129 VanDerWaalsContact C-N 3.29Å; Q127-I129 PolarHBondContact O-N 2.91Å; Q127-V130 PolarHBondContact O-N 2.87Å; Q127-V130 VanDerWaalsContact O-N 3.14Å; Q127-D131 WeakPolarHBondContact O-CB 3.49Å; Q127-D131 VanDerWaalsContact O-CG 3.24Å; Q127-D131 PolarHBondContact O-N 3.46Å
128	N	96.5	Very high	96.4	Very high	58 Å²	58	30.6 Å²	30.6	31%	0.31	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-34.7	-179.9	-66.2	-19.1	0	0	0	112.9	W82 L124 K125 I126 K132	W82-N128 HydrophobicContact CZ2-CB 3.94Å; L124-N128 WeakPolarHBondContact O-CB 3.47Å; L124-N128 PolarHBondContact O-N 3.32Å; L124-N128 PolarHBondContact O-ND2 3.04Å; K125-N128 PolarHBondContact O-N 3.02Å; I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 PolarHBondContact O-N 2.79Å; N128-K132 VanDerWaalsContact O-CB 3.31Å; N128-K132 WeakPolarHBondContact O-CB 3.47Å; N128-K132 PolarHBondContact O-N 3.46Å; N128-K132 VanDerWaalsContact O-N 3.08Å
129	I	97.7	Very high	96.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-48.5	174	-70	161.1	0	0	0	110.1	M62 I67 W82 K125 I126 Q127 D131 K132 L133	M62-I129 HydrophobicContact SD-CD1 3.95Å; I67-I129 HydrophobicContact CD1-CD1 3.66Å; I67-I129 HydrophobicContact CG2-CD1 4.39Å; I67-I129 HydrophobicContact CG2-CG1 4.38Å; W82-I129 HydrophobicContact CD2-CD1 4.48Å; W82-I129 HydrophobicContact CD2-CG1 3.87Å; W82-I129 HydrophobicContact CE3-CG1 3.95Å; W82-I129 HydrophobicContact CH2-CB 4.34Å; W82-I129 HydrophobicContact CH2-CG1 3.79Å; W82-I129 HydrophobicContact CZ2-CB 4.49Å; W82-I129 HydrophobicContact CZ2-CG1 3.7Å; W82-I129 HydrophobicContact CZ3-CG1 3.91Å; K125-I129 HydrophobicContact CD-CD1 4.4Å; K125-I129 HydrophobicContact CG-CD1 3.7Å; K125-I129 WeakPolarHBondContact O-CD1 3.4Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.47Å; K125-I129 PolarHBondContact O-N 3.34Å; I126-I129 HydrophobicContact CD1-CD1 4.32Å; I126-I129 PolarHBondContact O-N 2.97Å; Q127-I129 VanDerWaalsContact C-N 3.29Å; Q127-I129 PolarHBondContact O-N 2.91Å; I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 2.9Å; I129-K132 PolarHBondContact O-N 3.31Å; I129-L133 HydrophobicContact CG2-CD1 3.84Å; I129-L133 HydrophobicContact CG2-CG 4.33Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 2.88Å
130	V	97.6	Very high	97	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-179.4	173.6	0	0	0	0	110.6	Y46 I126 Q127 K132 L133 N134 I137	Y46-V130 HydrophobicContact CD1-CG2 4.31Å; Y46-V130 HydrophobicContact CE1-CB 4.31Å; Y46-V130 HydrophobicContact CE1-CG1 4.09Å; Y46-V130 HydrophobicContact CE1-CG2 3.75Å; I126-V130 HydrophobicContact CG2-CG2 4.27Å; I126-V130 WeakPolarHBondContact O-CG2 3.5Å; I126-V130 PolarHBondContact O-N 2.94Å; Q127-V130 PolarHBondContact O-N 2.87Å; Q127-V130 VanDerWaalsContact O-N 3.14Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.33Å; V130-L133 PolarHBondContact O-N 2.91Å; V130-N134 PolarHBondContact O-N 2.99Å; V130-I137 HydrophobicContact CG1-CB 4.36Å; V130-I137 HydrophobicContact CG2-CB 4.05Å; V130-I137 HydrophobicContact CG2-CD1 4.25Å; V130-I137 HydrophobicContact CG2-CG2 4.18Å
131	D	96.5	Very high	97.2	Very high	104 Å²	104	24 Å²	24	56%	0.556	12%	0.122	S	C	*	.	H	α-helix	trans	-59.4	-42.1	175.6	-69.2	-18.5	0	0	0	111.6	Q127 I129 N134	Q127-D131 WeakPolarHBondContact O-CB 3.49Å; Q127-D131 VanDerWaalsContact O-CG 3.24Å; Q127-D131 PolarHBondContact O-N 3.46Å; I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 2.9Å; D131-N134 PolarHBondContact O-N 2.96Å
132	K	97.4	Very high	97.4	Very high	124 Å²	124	23.5 Å²	23.5	54%	0.539	12%	0.119	S	C	.	.	H	α-helix	trans	-66.8	-38.9	178.1	-177.3	61.6	176.2	-177.8	0	112.7	W82 L84 N128 I129 V130 N134	W82-K132 HydrophobicContact CH2-CB 3.83Å; W82-K132 HydrophobicContact CH2-CG 4.08Å; W82-K132 HydrophobicContact CZ3-CB 4.47Å; W82-K132 HydrophobicContact CZ3-CG 4.35Å; L84-K132 HydrophobicContact CD1-CG 4.41Å; N128-K132 VanDerWaalsContact O-CB 3.31Å; N128-K132 WeakPolarHBondContact O-CB 3.47Å; N128-K132 PolarHBondContact O-N 3.46Å; N128-K132 VanDerWaalsContact O-N 3.08Å; I129-K132 PolarHBondContact O-N 3.31Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.33Å; K132-N134 VanDerWaalsContact C-N 3.28Å
133	L	97.7	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.6	-27.3	177.4	-66.6	175.3	0	0	0	111.7	I66 L84 I89 I90 L93 I129 V130 I135 I137	I66-L133 HydrophobicContact CG2-CD1 4.14Å; I66-L133 HydrophobicContact CG2-CD2 4.23Å; L84-L133 HydrophobicContact CD1-CD2 4.41Å; L84-L133 HydrophobicContact CD2-CD2 3.71Å; I89-L133 HydrophobicContact CG2-CD2 3.81Å; I90-L133 HydrophobicContact CG1-CD2 4.11Å; L93-L133 HydrophobicContact CD1-CD1 4.17Å; L93-L133 HydrophobicContact CD1-CD2 3.86Å; L93-L133 HydrophobicContact CD1-CG 4.45Å; I129-L133 HydrophobicContact CG2-CD1 3.84Å; I129-L133 HydrophobicContact CG2-CG 4.33Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 2.88Å; V130-L133 PolarHBondContact O-N 2.91Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 HydrophobicContact CB-CG1 4.11Å; L133-I135 PolarHBondContact O-N 2.95Å; L133-I137 HydrophobicContact CB-CD1 4.18Å; L133-I137 HydrophobicContact CD1-CD1 3.44Å; L133-I137 VanDerWaalsContact CD1-CD1 3.44Å; L133-I137 HydrophobicContact CG-CD1 4.46Å
134	N	96.5	Very high	97.4	Very high	120 Å²	120	27.6 Å²	27.6	64%	0.642	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	46.8	175.2	-168.4	22.6	0	0	0	112.7	V130 D131 K132	V130-N134 PolarHBondContact O-N 2.99Å; D131-N134 PolarHBondContact O-N 2.96Å; K132-N134 VanDerWaalsContact C-N 3.28Å
135	I	96.7	Very high	97.2	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.051	16%	0.158	C	C	.	.	S	Bend	trans	-143.8	150.7	172.5	50.7	143.3	0	0	0	109.2	L93 K94 I103 L133 I137	L93-I135 HydrophobicContact CB-CD1 3.77Å; L93-I135 HydrophobicContact CD1-CD1 4.09Å; L93-I135 HydrophobicContact CD2-CD1 4.45Å; L93-I135 HydrophobicContact CG-CD1 4.33Å; K94-I135 HydrophobicContact CG-CG2 3.82Å; I103-I135 HydrophobicContact CB-CD1 4.03Å; I103-I135 HydrophobicContact CG1-CD1 3.7Å; I103-I135 HydrophobicContact CG2-CD1 3.91Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 HydrophobicContact CB-CG1 4.11Å; L133-I135 PolarHBondContact O-N 2.95Å; I135-I137 HydrophobicContact CD1-CD1 4Å; I135-I137 HydrophobicContact CD1-CG1 3.88Å; I135-I137 HydrophobicContact CG1-CD1 4.05Å; I135-I137 HydrophobicContact CG1-CG1 4.13Å; I135-I137 PolarHBondContact O-N 3.49Å
136	P	98	Very high	97.1	Very high	18 Å²	18	32.1 Å²	32.1	12%	0.117	17%	0.165	C	C	.	.			trans	-64.6	124.4	176.2	-20.3	33.6	0	0	0	111.7	H48 K50 C51 F97	H48-P136 HydrophobicContact CB-CB 4.49Å; K50-P136 HydrophobicContact CB-CB 4.23Å; K50-P136 HydrophobicContact CB-CG 3.84Å; K50-P136 WeakPolarHBondContact O-CB 3.34Å; K50-P136 WeakPolarHBondContact O-CG 3.37Å; C51-P136 VanDerWaalsContact SG-C 3.56Å; F97-P136 HydrophobicContact CE2-CB 4.36Å; F97-P136 HydrophobicContact CE2-CG 3.97Å; F97-P136 HydrophobicContact CZ-CG 3.83Å
137	I	98.5	Very high	97	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.7	-178.7	-71.1	170.7	0	0	0	110.1	Y46 H48 C51 I103 L105 V130 L133 I135	Y46-I137 WeakPolarHBondContact CE1-O 3.24Å; H48-I137 VanDerWaalsContact CB-O 3.26Å; H48-I137 WeakPolarHBondContact CB-O 3.29Å; H48-I137 PolarHBondContact N-O 2.78Å; H48-I137 VanDerWaalsContact N-O 3.1Å; C51-I137 PolarHBondContact SG-N 2.98Å; C51-I137 VanDerWaalsContact SG-N 3.38Å; C51-I137 PolarHBondContact SG-O 3.1Å; C51-I137 VanDerWaalsContact SG-O 3.39Å; I103-I137 HydrophobicContact CB-CG1 4.22Å; I103-I137 HydrophobicContact CG2-CG1 3.98Å; L105-I137 HydrophobicContact CD1-CG2 3.93Å; L105-I137 HydrophobicContact CD2-CG2 4.5Å; L105-I137 HydrophobicContact CG-CG2 3.67Å; V130-I137 HydrophobicContact CG1-CB 4.36Å; V130-I137 HydrophobicContact CG2-CB 4.05Å; V130-I137 HydrophobicContact CG2-CD1 4.25Å; V130-I137 HydrophobicContact CG2-CG2 4.18Å; L133-I137 HydrophobicContact CB-CD1 4.18Å; L133-I137 HydrophobicContact CD1-CD1 3.44Å; L133-I137 VanDerWaalsContact CD1-CD1 3.44Å; L133-I137 HydrophobicContact CG-CD1 4.46Å; I135-I137 HydrophobicContact CD1-CD1 4Å; I135-I137 HydrophobicContact CD1-CG1 3.88Å; I135-I137 HydrophobicContact CG1-CD1 4.05Å; I135-I137 HydrophobicContact CG1-CG1 4.13Å; I135-I137 PolarHBondContact O-N 3.49Å
138	Q	98.7	Very high	97.1	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.2	163.5	-164.2	173.8	34.3	0	0	109	Y46 T47 I103 V104 L105 F140 G163	Y46-Q138 CarbonylContact O-C 3.54Å; Y46-Q138 VanDerWaalsContact O-CA 3.27Å; Y46-Q138 WeakPolarHBondContact O-CA 3.45Å; Y46-Q138 VanDerWaalsContact O-CG 3.24Å; Y46-Q138 WeakPolarHBondContact O-CG 3.48Å; T47-Q138 HydrophobicContact CG2-CG 4.34Å; T47-Q138 PolarHBondContact OG1-NE2 3.29Å; I103-Q138 PolarHBondContact O-N 3.41Å; I103-Q138 VanDerWaalsContact O-N 3.15Å; V104-Q138 CarbonylContact C-O 2.98Å; V104-Q138 WeakPolarHBondContact CA-O 3.2Å; L105-Q138 PolarHBondContact N-O 3.01Å; Q138-F140 HydrophobicContact CB-CE2 4.32Å; Q138-F140 VanDerWaalsContact CD-CZ 3.47Å; Q138-F140 HydrophobicContact CG-CE2 3.71Å; Q138-F140 HydrophobicContact CG-CZ 3.81Å; Q138-G163 PolarHBondContact NE2-O 2.9Å; Q138-G163 PolarHBondContact OE1-O 3.44Å; Q138-G163 VanDerWaalsContact OE1-O 3.1Å
139	G	98.6	Very high	97.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.8	-178.8	0	0	0	0	0	112.1	V45 Y46 L105	V45-G139 CarbonylContact C-O 3.59Å; V45-G139 VanDerWaalsContact CA-O 3.23Å; V45-G139 WeakPolarHBondContact CA-O 3.2Å; Y46-G139 PolarHBondContact N-O 2.93Å; Y46-G139 PolarHBondContact O-N 3.47Å; L105-G139 CarbonylContact O-C 3.45Å; L105-G139 WeakPolarHBondContact O-CA 3.27Å
140	F	98.7	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.1	175.4	-60.1	-89.5	0	0	0	108.2	L43 V45 V104 L105 L106 S107 Q138 M155 F158 L159	L43-F140 HydrophobicContact CD1-CB 4.19Å; L43-F140 HydrophobicContact CD2-CD1 4.14Å; V45-F140 HydrophobicContact CB-CD1 4.35Å; V45-F140 HydrophobicContact CB-CE1 4.42Å; V45-F140 HydrophobicContact CG1-CD1 3.85Å; V45-F140 HydrophobicContact CG1-CE1 3.54Å; V45-F140 HydrophobicContact CG1-CZ 4.16Å; V45-F140 HydrophobicContact CG2-CD1 3.75Å; V45-F140 HydrophobicContact CG2-CE1 4.02Å; V104-F140 HydrophobicContact CG1-CD2 3.47Å; V104-F140 VanDerWaalsContact CG1-CD2 3.47Å; V104-F140 HydrophobicContact CG1-CE2 3.53Å; L105-F140 PolarHBondContact O-N 3.05Å; L106-F140 WeakPolarHBondContact CA-O 3.36Å; L106-F140 HydrophobicContact CD2-CB 4.07Å; L106-F140 HydrophobicContact CD2-CD2 4.05Å; L106-F140 HydrophobicContact CD2-CG 4.33Å; S107-F140 PolarHBondContact N-O 3.14Å; Q138-F140 HydrophobicContact CB-CE2 4.32Å; Q138-F140 VanDerWaalsContact CD-CZ 3.47Å; Q138-F140 HydrophobicContact CG-CE2 3.71Å; Q138-F140 HydrophobicContact CG-CZ 3.81Å; F140-M155 HydrophobicContact CB-CB 4.07Å; F140-M155 HydrophobicContact CB-CG 4.12Å; F140-M155 HydrophobicContact CB-SD 4.01Å; F140-F158 HydrophobicContact CD1-CD1 4.13Å; F140-F158 AromaticContact CE1-CD1 3.53Å; F140-F158 HydrophobicContact CE1-CD1 3.53Å; F140-F158 HydrophobicContact CE1-CE1 4.08Å; F140-F158 HydrophobicContact CE1-CG 4.41Å; F140-L159 HydrophobicContact CE2-CB 4Å; F140-L159 HydrophobicContact CE2-CD1 3.89Å; F140-L159 HydrophobicContact CE2-CG 4.41Å; F140-L159 HydrophobicContact CZ-CB 3.92Å; F140-L159 HydrophobicContact CZ-CD1 3.96Å
141	F	98.6	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	103.5	-170	-51.3	-75.5	0	0	0	110.3	W37 L44 M62 L105 S107 Q109 F122 I126 I143	W37-F141 HydrophobicContact CH2-CD2 4.41Å; W37-F141 HydrophobicContact CH2-CE2 4.01Å; W37-F141 AromaticContact CZ3-CD2 4Å; W37-F141 HydrophobicContact CZ3-CD2 4Å; W37-F141 AromaticContact CZ3-CE2 3.95Å; W37-F141 HydrophobicContact CZ3-CE2 3.95Å; L44-F141 HydrophobicContact CB-CB 4.27Å; L44-F141 HydrophobicContact CB-CD2 4.39Å; L44-F141 PolarHBondContact N-O 3.18Å; L44-F141 WeakPolarHBondContact O-CD2 3.25Å; L44-F141 PolarHBondContact O-N 2.88Å; M62-F141 HydrophobicContact SD-CE1 4.37Å; L105-F141 HydrophobicContact CB-CE1 4.32Å; L105-F141 HydrophobicContact CB-CZ 4.42Å; L105-F141 HydrophobicContact CD1-CZ 4.39Å; S107-F141 CarbonylContact O-C 3.57Å; S107-F141 WeakPolarHBondContact O-CA 3.35Å; Q109-F141 HydrophobicContact CG-CB 4.11Å; Q109-F141 HydrophobicContact CG-CD1 4.23Å; F122-F141 HydrophobicContact CE1-CB 3.98Å; F122-F141 HydrophobicContact CE1-CD1 4.04Å; F122-F141 AromaticContact CE1-CD2 3.81Å; F122-F141 HydrophobicContact CE1-CD2 3.81Å; F122-F141 HydrophobicContact CE1-CE1 4.49Å; F122-F141 HydrophobicContact CE1-CE2 4.28Å; F122-F141 AromaticContact CE1-CG 3.66Å; F122-F141 HydrophobicContact CE1-CG 3.66Å; F122-F141 HydrophobicContact CZ-CB 4Å; F122-F141 AromaticContact CZ-CD1 3.49Å; F122-F141 HydrophobicContact CZ-CD1 3.49Å; F122-F141 VanDerWaalsContact CZ-CD1 3.49Å; F122-F141 HydrophobicContact CZ-CD2 4.11Å; F122-F141 AromaticContact CZ-CE1 3.91Å; F122-F141 HydrophobicContact CZ-CE1 3.91Å; F122-F141 HydrophobicContact CZ-CE2 4.48Å; F122-F141 AromaticContact CZ-CG 3.58Å; F122-F141 HydrophobicContact CZ-CG 3.58Å; F122-F141 HydrophobicContact CZ-CZ 4.39Å; I126-F141 HydrophobicContact CB-CZ 4.42Å; I126-F141 HydrophobicContact CD1-CE1 3.67Å; I126-F141 HydrophobicContact CD1-CE2 4.36Å; I126-F141 HydrophobicContact CD1-CZ 3.54Å; I126-F141 HydrophobicContact CG1-CE1 4.19Å; I126-F141 HydrophobicContact CG1-CE2 4Å; I126-F141 HydrophobicContact CG1-CZ 3.66Å; I126-F141 HydrophobicContact CG2-CE2 4.1Å; I126-F141 HydrophobicContact CG2-CZ 3.84Å; F141-I143 PolarHBondContact O-N 3.3Å
142	S	98.2	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.5	-179.8	80.9	0	0	0	0	109.8	S107 N108 Q109 N148 R149	S107-S142 PolarHBondContact O-N 2.84Å; N108-S142 PolarHBondContact OD1-OG 3.15Å; Q109-S142 CarbonylContact C-O 3.3Å; Q109-S142 WeakPolarHBondContact CA-O 3.21Å; Q109-S142 PolarHBondContact N-O 3.34Å; S142-N148 VanDerWaalsContact CB-O 3.28Å; S142-N148 WeakPolarHBondContact CB-O 3.4Å; S142-R149 WeakPolarHBondContact OG-CA 3.24Å
143	I	97.1	Very high	97.4	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.077	14%	0.137	C	C	.	.			trans	-104.4	-15.9	-177.9	62.8	168.3	0	0	0	113.5	S42 L44 Q109 I112 T113 F141	S42-I143 WeakPolarHBondContact O-CG1 3.49Å; S42-I143 PolarHBondContact O-N 3.37Å; L44-I143 HydrophobicContact CD1-CG2 3.99Å; L44-I143 HydrophobicContact CG-CG2 4.01Å; Q109-I143 HydrophobicContact CB-CG2 4.46Å; I112-I143 HydrophobicContact CB-CG2 4.29Å; I112-I143 HydrophobicContact CD1-CG2 3.85Å; I112-I143 HydrophobicContact CG2-CG2 4.45Å; T113-I143 WeakPolarHBondContact CB-O 3.4Å; T113-I143 HydrophobicContact CG2-CB 4.04Å; T113-I143 HydrophobicContact CG2-CD1 4.25Å; T113-I143 HydrophobicContact CG2-CG1 4.22Å; T113-I143 WeakPolarHBondContact CG2-O 3.15Å; T113-I143 PolarHBondContact OG1-O 3.21Å; F141-I143 PolarHBondContact O-N 3.3Å
144	L	95.3	Very high	97.4	Very high	74 Å²	74	27.7 Å²	27.7	39%	0.387	14%	0.139	S	C	.	.	S	Bend	trans	-110.1	167.4	175.6	-67.1	-179.7	0	0	0	112.5	T113 D146	T113-L144 HydrophobicContact CG2-CD2 3.67Å; T113-L144 HydrophobicContact CG2-CG 4.4Å; L144-D146 VanDerWaalsContact C-N 3.27Å; L144-D146 PolarHBondContact O-N 3.15Å
145	N	92.6	Very high	97.5	Very high	82 Å²	82	22 Å²	22	44%	0.439	11%	0.109	S	C	.	.	S	Bend	trans	-89.1	57.5	174.4	-170.1	27.2	0	0	0	111.3	R149 R351	N145-R149 VanDerWaalsContact OD1-CD 3.24Å; N145-R149 WeakPolarHBondContact OD1-CD 3.39Å; N145-R351 PolarHBondContact ND2-NH1 2.76Å; N145-R351 PolarHBondContact O-NH1 3.24Å; N145-R351 PolarHBondContact O-NH2 2.83Å; N145-R351 PolarHBondContact OD1-NH2 2.94Å
146	D	94.3	Very high	97.6	Very high	36 Å²	36	22.1 Å²	22.1	19%	0.193	11%	0.109	C	C	.	.	S	Bend	trans	-121	-156.7	-175.3	74.3	-12.4	0	0	0	111.9	S42 L144 N148 R149 R351	S42-D146 WeakPolarHBondContact CB-OD2 3.44Å; S42-D146 PolarHBondContact OG-OD2 2.98Å; L144-D146 VanDerWaalsContact C-N 3.27Å; L144-D146 PolarHBondContact O-N 3.15Å; D146-N148 PolarHBondContact O-N 3.2Å; D146-N148 WeakPolarHBondContact OD1-CB 3.48Å; D146-N148 PolarHBondContact OD1-N 2.97Å; D146-R149 PolarHBondContact O-N 3.15Å; D146-R351 PolarHBondContact O-NH2 2.82Å
147	K	96.3	Very high	97.6	Very high	136 Å²	136	24.2 Å²	24.2	59%	0.591	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.4	178.6	68.3	176.9	-177.4	175.2	0	114.8	L152 G154	K147-L152 WeakPolarHBondContact O-CB 3.39Å; K147-G154 VanDerWaalsContact O-CA 3.26Å; K147-G154 WeakPolarHBondContact O-CA 3.46Å; K147-G154 PolarHBondContact O-N 2.79Å
148	N	97.6	Very high	97.5	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.053	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.3	-179.9	-67.1	-32.5	0	0	0	112	S42 L43 S142 D146 K150 G154 M155	S42-N148 PolarHBondContact OG-ND2 2.85Å; L43-N148 HydrophobicContact CD1-CB 4.36Å; S142-N148 VanDerWaalsContact CB-O 3.28Å; S142-N148 WeakPolarHBondContact CB-O 3.4Å; D146-N148 PolarHBondContact O-N 3.2Å; D146-N148 WeakPolarHBondContact OD1-CB 3.48Å; D146-N148 PolarHBondContact OD1-N 2.97Å; N148-K150 PolarHBondContact O-N 3.39Å; N148-G154 WeakPolarHBondContact OD1-CA 3.38Å; N148-G154 PolarHBondContact OD1-O 2.89Å; N148-M155 HydrophobicContact CB-CG 4.2Å; N148-M155 WeakPolarHBondContact O-CE 3.36Å; N148-M155 WeakPolarHBondContact O-CG 3.3Å
149	R	97.7	Very high	97.5	Very high	49 Å²	49	25.1 Å²	25.1	19%	0.185	12%	0.123	C	C	.	.	S	Bend	trans	-77.2	122.3	-179.1	-171	-178.5	173.5	73.9	7.8	111.1	N108 S142 N145 D146 L152 E410	N108-R149 WeakPolarHBondContact ND2-CG 3.38Å; S142-R149 WeakPolarHBondContact OG-CA 3.24Å; N145-R149 VanDerWaalsContact OD1-CD 3.24Å; N145-R149 WeakPolarHBondContact OD1-CD 3.39Å; D146-R149 PolarHBondContact O-N 3.15Å; R149-L152 WeakPolarHBondContact O-CB 3.47Å; R149-L152 WeakPolarHBondContact O-CD1 3.36Å; R149-L152 PolarHBondContact O-N 2.97Å; R149-E410 IonicContact CZ-OE1 3.61Å; R149-E410 IonicContact NE-OE1 2.87Å; R149-E410 PolarHBondContact NE-OE1 2.81Å; R149-E410 IonicContact NH2-OE1 3.55Å; R149-E410 PolarHBondContact NH2-OE1 2.8Å; R149-E410 IonicContact NH2-OE2 3.4Å
150	K	98.6	Very high	97.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.017	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	136	171.7	-58.9	179.3	-71.6	-178.3	0	109.9	D61 L106 N108 N148 M155 Y176 A196 D197 F200	D61-K150 IonicContact OD1-NZ 3.52Å; D61-K150 PolarHBondContact OD1-NZ 3.18Å; L106-K150 VanDerWaalsContact O-CE 3.3Å; L106-K150 WeakPolarHBondContact O-CE 3.37Å; L106-K150 PolarHBondContact O-NZ 2.82Å; N108-K150 PolarHBondContact ND2-N 3.03Å; N108-K150 PolarHBondContact ND2-O 2.88Å; N108-K150 WeakPolarHBondContact OD1-CB 2.89Å; N108-K150 PolarHBondContact OD1-N 3.03Å; N148-K150 PolarHBondContact O-N 3.39Å; K150-M155 HydrophobicContact CD-CE 3.95Å; K150-M155 HydrophobicContact CG-CE 3.53Å; K150-Y176 VanDerWaalsContact CD-OH 3.23Å; K150-Y176 WeakPolarHBondContact CD-OH 3.3Å; K150-Y176 PolarHBondContact NZ-OH 3.49Å; K150-A196 HydrophobicContact CB-CB 4.32Å; K150-D197 WeakPolarHBondContact CE-OD1 3.39Å; K150-D197 IonicContact NZ-OD1 2.83Å; K150-D197 PolarHBondContact NZ-OD1 2.79Å; K150-F200 HydrophobicContact CB-CB 4.17Å; K150-F200 HydrophobicContact CB-CD2 4.32Å; K150-F200 HydrophobicContact CB-CG 4.48Å; K150-F200 HydrophobicContact CD-CB 4.31Å; K150-F200 HydrophobicContact CD-CD2 4.33Å; K150-F200 HydrophobicContact CD-CG 4.14Å; K150-F200 HydrophobicContact CG-CB 4.15Å; K150-F200 HydrophobicContact CG-CD2 3.71Å; K150-F200 HydrophobicContact CG-CE2 4.24Å; K150-F200 HydrophobicContact CG-CG 3.96Å
151	P	98.5	Very high	97.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	2.2	16.9	35.7	-40.1	0	0	0	115.9	L199 F200 N203 Y407	P151-L199 HydrophobicContact CB-CB 3.51Å; P151-L199 HydrophobicContact CG-CB 4.31Å; P151-F200 WeakPolarHBondContact O-CA 3.46Å; P151-N203 PolarHBondContact O-ND2 2.95Å; P151-Y407 WeakPolarHBondContact CG-O 3.46Å
152	L	98.3	Very high	97.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-66.8	154.9	176.2	-66.5	107.9	0	0	0	111.7	K147 R149 F200 L355 L403 L408	K147-L152 WeakPolarHBondContact O-CB 3.39Å; R149-L152 WeakPolarHBondContact O-CB 3.47Å; R149-L152 WeakPolarHBondContact O-CD1 3.36Å; R149-L152 PolarHBondContact O-N 2.97Å; L152-F200 VanDerWaalsContact O-CD2 3.27Å; L152-F200 WeakPolarHBondContact O-CD2 3.26Å; L152-F200 WeakPolarHBondContact O-CE2 3.34Å; L152-L355 HydrophobicContact CD1-CD1 4.35Å; L152-L355 HydrophobicContact CD2-CD1 3.56Å; L152-L355 HydrophobicContact CD2-CD2 4.43Å; L152-L403 HydrophobicContact CD2-CD1 3.64Å; L152-L408 HydrophobicContact CD2-CD2 3.82Å; L152-L408 HydrophobicContact CG-CD2 4.25Å
153	T	98.3	Very high	97.1	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-90.1	1.9	-168	57.8	0	0	0	0	114.1	M155 W156 D157 N203 V204 K406	T153-M155 VanDerWaalsContact C-N 3.25Å; T153-M155 PolarHBondContact O-N 3.13Å; T153-W156 CarbonylContact O-C 3.52Å; T153-W156 WeakPolarHBondContact O-CA 3.48Å; T153-W156 VanDerWaalsContact O-CB 3.3Å; T153-W156 WeakPolarHBondContact O-CB 3.47Å; T153-W156 PolarHBondContact O-N 3.49Å; T153-D157 VanDerWaalsContact C-OD2 3.29Å; T153-D157 VanDerWaalsContact O-CG 3.23Å; T153-D157 PolarHBondContact O-N 3.35Å; T153-D157 PolarHBondContact OG1-OD1 2.83Å; T153-D157 PolarHBondContact OG1-OD2 3.21Å; T153-N203 HydrophobicContact CG2-CB 3.68Å; T153-V204 HydrophobicContact CG2-CG2 3.64Å; T153-K406 HydrophobicContact CG2-CD 4.27Å; T153-K406 PolarHBondContact OG1-NZ 3.05Å
154	G	97.9	Very high	97.1	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-33.1	-167.6	0	0	0	0	0	114.9	K147 N148 F158	K147-G154 VanDerWaalsContact O-CA 3.26Å; K147-G154 WeakPolarHBondContact O-CA 3.46Å; K147-G154 PolarHBondContact O-N 2.79Å; N148-G154 WeakPolarHBondContact OD1-CA 3.38Å; N148-G154 PolarHBondContact OD1-O 2.89Å; G154-F158 WeakPolarHBondContact O-CB 3.19Å; G154-F158 PolarHBondContact O-N 2.77Å
155	M	98.6	Very high	97.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-39.5	172.4	-67	-171.5	-68.2	0	0	112.8	L43 L106 F140 N148 K150 T153 L159	L43-M155 HydrophobicContact CD1-CG 3.64Å; L43-M155 HydrophobicContact CD1-SD 4.1Å; L106-M155 HydrophobicContact CB-CE 4.01Å; L106-M155 HydrophobicContact CD2-CB 3.54Å; F140-M155 HydrophobicContact CB-CB 4.07Å; F140-M155 HydrophobicContact CB-CG 4.12Å; F140-M155 HydrophobicContact CB-SD 4.01Å; N148-M155 HydrophobicContact CB-CG 4.2Å; N148-M155 WeakPolarHBondContact O-CE 3.36Å; N148-M155 WeakPolarHBondContact O-CG 3.3Å; K150-M155 HydrophobicContact CD-CE 3.95Å; K150-M155 HydrophobicContact CG-CE 3.53Å; T153-M155 VanDerWaalsContact C-N 3.25Å; T153-M155 PolarHBondContact O-N 3.13Å; M155-L159 PolarHBondContact O-N 3.31Å
156	W	98.6	Very high	97.3	Very high	13 Å²	13	40.1 Å²	40.1	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-42.6	174.8	-173.9	-90	0	0	0	111.5	I57 L106 T153 F158 L159 N160 I169 L171 F200 V204 I206	I57-W156 HydrophobicContact CB-CH2 3.83Å; I57-W156 HydrophobicContact CB-CZ3 4.21Å; I57-W156 HydrophobicContact CG1-CH2 4.14Å; I57-W156 HydrophobicContact CG2-CH2 3.98Å; I57-W156 HydrophobicContact CG2-CZ3 3.81Å; L106-W156 HydrophobicContact CD1-CE3 4.2Å; T153-W156 CarbonylContact O-C 3.52Å; T153-W156 WeakPolarHBondContact O-CA 3.48Å; T153-W156 VanDerWaalsContact O-CB 3.3Å; T153-W156 WeakPolarHBondContact O-CB 3.47Å; T153-W156 PolarHBondContact O-N 3.49Å; W156-F158 VanDerWaalsContact C-N 3.3Å; W156-F158 PolarHBondContact O-N 2.82Å; W156-L159 HydrophobicContact CE3-CD2 4.19Å; W156-L159 HydrophobicContact CZ3-CD2 4.28Å; W156-L159 WeakPolarHBondContact O-CB 3.47Å; W156-L159 PolarHBondContact O-N 2.89Å; W156-L159 VanDerWaalsContact O-N 3.15Å; W156-N160 PolarHBondContact O-N 3.1Å; W156-I169 HydrophobicContact CH2-CG2 4.05Å; W156-I169 HydrophobicContact CZ2-CB 4.44Å; W156-I169 HydrophobicContact CZ2-CD1 4.24Å; W156-I169 HydrophobicContact CZ2-CG2 3.58Å; W156-L171 HydrophobicContact CZ2-CD2 3.69Å; W156-F200 HydrophobicContact CB-CE2 4.26Å; W156-F200 HydrophobicContact CB-CZ 3.85Å; W156-F200 HydrophobicContact CE3-CZ 4.45Å; W156-V204 HydrophobicContact CB-CG2 3.87Å; W156-V204 HydrophobicContact CD2-CG1 3.61Å; W156-V204 HydrophobicContact CD2-CG2 4.21Å; W156-V204 HydrophobicContact CE3-CG1 4.33Å; W156-V204 HydrophobicContact CG-CB 4.48Å; W156-V204 HydrophobicContact CG-CG1 3.71Å; W156-V204 HydrophobicContact CG-CG2 3.81Å; W156-V204 HydrophobicContact CZ2-CG1 3.94Å; W156-I206 HydrophobicContact CE3-CD1 4.11Å; W156-I206 HydrophobicContact CH2-CD1 3.81Å; W156-I206 HydrophobicContact CH2-CG2 4.13Å; W156-I206 HydrophobicContact CZ2-CD1 4.42Å; W156-I206 HydrophobicContact CZ2-CG2 4.05Å; W156-I206 HydrophobicContact CZ3-CD1 3.65Å
157	D	97.7	Very high	97.5	Very high	62 Å²	62	41.8 Å²	41.8	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-43.5	178	-55.9	-29.5	0	0	0	109.5	T153 L159 N160 D161	T153-D157 VanDerWaalsContact C-OD2 3.29Å; T153-D157 VanDerWaalsContact O-CG 3.23Å; T153-D157 PolarHBondContact O-N 3.35Å; T153-D157 PolarHBondContact OG1-OD1 2.83Å; T153-D157 PolarHBondContact OG1-OD2 3.21Å; D157-L159 PolarHBondContact O-N 2.96Å; D157-N160 PolarHBondContact O-N 2.65Å; D157-D161 WeakPolarHBondContact O-CB 3.46Å; D157-D161 PolarHBondContact O-N 2.8Å
158	F	97.6	Very high	97.6	Very high	31 Å²	31	40.2 Å²	40.2	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-44	173.8	-165.6	-70.8	0	0	0	112.3	T40 L43 V45 F140 G154 W156 N160 D161 K162 G163	T40-F158 HydrophobicContact CG2-CE2 4.16Å; L43-F158 HydrophobicContact CD2-CB 4.07Å; L43-F158 HydrophobicContact CD2-CD1 4.42Å; L43-F158 HydrophobicContact CD2-CD2 3.81Å; L43-F158 HydrophobicContact CD2-CE2 4.35Å; L43-F158 HydrophobicContact CD2-CG 3.85Å; V45-F158 HydrophobicContact CG2-CE1 4.07Å; V45-F158 HydrophobicContact CG2-CZ 4.27Å; F140-F158 HydrophobicContact CD1-CD1 4.13Å; F140-F158 AromaticContact CE1-CD1 3.53Å; F140-F158 HydrophobicContact CE1-CD1 3.53Å; F140-F158 HydrophobicContact CE1-CE1 4.08Å; F140-F158 HydrophobicContact CE1-CG 4.41Å; G154-F158 WeakPolarHBondContact O-CB 3.19Å; G154-F158 PolarHBondContact O-N 2.77Å; W156-F158 VanDerWaalsContact C-N 3.3Å; W156-F158 PolarHBondContact O-N 2.82Å; F158-N160 VanDerWaalsContact C-N 3.33Å; F158-N160 PolarHBondContact O-N 2.71Å; F158-D161 PolarHBondContact O-N 3.35Å; F158-K162 HydrophobicContact CD1-CB 4.14Å; F158-K162 HydrophobicContact CD2-CD 4.44Å; F158-K162 HydrophobicContact CE1-CB 3.89Å; F158-K162 HydrophobicContact CE1-CD 4.31Å; F158-K162 HydrophobicContact CE2-CD 3.95Å; F158-K162 HydrophobicContact CZ-CB 4.29Å; F158-K162 HydrophobicContact CZ-CD 3.88Å; F158-K162 PolarHBondContact O-N 2.77Å; F158-G163 PolarHBondContact O-N 2.77Å
159	L	98.1	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-56.5	-48.7	175.4	167.7	66.3	0	0	0	110.9	I57 V104 F140 M155 W156 D157 G163 N164 I169	I57-L159 HydrophobicContact CD1-CD2 4.4Å; I57-L159 HydrophobicContact CG1-CD2 4.26Å; I57-L159 HydrophobicContact CG2-CD2 3.97Å; V104-L159 HydrophobicContact CG1-CD2 4.24Å; V104-L159 HydrophobicContact CG2-CD1 4.18Å; V104-L159 HydrophobicContact CG2-CD2 4.06Å; F140-L159 HydrophobicContact CE2-CB 4Å; F140-L159 HydrophobicContact CE2-CD1 3.89Å; F140-L159 HydrophobicContact CE2-CG 4.41Å; F140-L159 HydrophobicContact CZ-CB 3.92Å; F140-L159 HydrophobicContact CZ-CD1 3.96Å; M155-L159 PolarHBondContact O-N 3.31Å; W156-L159 HydrophobicContact CE3-CD2 4.19Å; W156-L159 HydrophobicContact CZ3-CD2 4.28Å; W156-L159 WeakPolarHBondContact O-CB 3.47Å; W156-L159 PolarHBondContact O-N 2.89Å; W156-L159 VanDerWaalsContact O-N 3.15Å; D157-L159 PolarHBondContact O-N 2.96Å; L159-G163 CarbonylContact O-C 3.49Å; L159-G163 VanDerWaalsContact O-C 3.27Å; L159-G163 WeakPolarHBondContact O-CA 3.27Å; L159-G163 PolarHBondContact O-N 3Å; L159-N164 HydrophobicContact CD1-CB 4.49Å; L159-N164 WeakPolarHBondContact O-CB 3.49Å; L159-N164 PolarHBondContact O-N 3.18Å; L159-I169 HydrophobicContact CD2-CD1 4.01Å; L159-I169 HydrophobicContact CG-CD1 3.95Å
160	N	97.1	Very high	97.7	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.332	25%	0.248	S	C	.	.	I	π-helix	trans	-64	-47	-179.1	-176.7	74.6	0	0	0	112	W156 D157 F158 I169	W156-N160 PolarHBondContact O-N 3.1Å; D157-N160 PolarHBondContact O-N 2.65Å; F158-N160 VanDerWaalsContact C-N 3.33Å; F158-N160 PolarHBondContact O-N 2.71Å; N160-I169 HydrophobicContact CB-CD1 4.08Å
161	D	96.3	Very high	97.6	Very high	118 Å²	118	44.7 Å²	44.7	63%	0.631	27%	0.265	S	S	*	.	I	π-helix	trans	-80.8	-33.9	-170.1	-63.8	-9.7	0	0	0	113	D157 F158	D157-D161 WeakPolarHBondContact O-CB 3.46Å; D157-D161 PolarHBondContact O-N 2.8Å; F158-D161 PolarHBondContact O-N 3.35Å
162	K	95.9	Very high	97.6	Very high	146 Å²	146	49.7 Å²	49.7	64%	0.635	30%	0.3	S	S	*	.	I	π-helix	trans	-130	-34.6	-172.6	-63.2	-175.8	178.1	-171.9	0	113.3	F158 N164	F158-K162 HydrophobicContact CD1-CB 4.14Å; F158-K162 HydrophobicContact CD2-CD 4.44Å; F158-K162 HydrophobicContact CE1-CB 3.89Å; F158-K162 HydrophobicContact CE1-CD 4.31Å; F158-K162 HydrophobicContact CE2-CD 3.95Å; F158-K162 HydrophobicContact CZ-CB 4.29Å; F158-K162 HydrophobicContact CZ-CD 3.88Å; F158-K162 PolarHBondContact O-N 2.77Å; K162-N164 VanDerWaalsContact C-N 3.33Å; K162-N164 PolarHBondContact O-N 3.18Å
163	G	96.4	Very high	97.6	Very high	10 Å²	10	50.7 Å²	50.7	10%	0.103	31%	0.309	C	S	.	.	I	π-helix	trans	-77.1	-12.3	-173.4	0	0	0	0	0	115.1	K102 Q138 F158 L159	K102-G163 PolarHBondContact NZ-O 2.78Å; Q138-G163 PolarHBondContact NE2-O 2.9Å; Q138-G163 PolarHBondContact OE1-O 3.44Å; Q138-G163 VanDerWaalsContact OE1-O 3.1Å; F158-G163 PolarHBondContact O-N 2.77Å; L159-G163 CarbonylContact O-C 3.49Å; L159-G163 VanDerWaalsContact O-C 3.27Å; L159-G163 WeakPolarHBondContact O-CA 3.27Å; L159-G163 PolarHBondContact O-N 3Å
164	N	97.9	Very high	97.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	22.2	-170.3	-147.9	42.6	0	0	0	115.4	P53 S54 K102 L159 K162 G166 I167	P53-N164 WeakPolarHBondContact CA-OD1 3.26Å; P53-N164 VanDerWaalsContact CB-O 3.27Å; P53-N164 WeakPolarHBondContact CB-O 3.23Å; S54-N164 PolarHBondContact N-OD1 3.45Å; S54-N164 PolarHBondContact O-ND2 3.48Å; K102-N164 WeakPolarHBondContact CD-OD1 3.44Å; K102-N164 PolarHBondContact NZ-OD1 3.4Å; L159-N164 HydrophobicContact CD1-CB 4.49Å; L159-N164 WeakPolarHBondContact O-CB 3.49Å; L159-N164 PolarHBondContact O-N 3.18Å; K162-N164 VanDerWaalsContact C-N 3.33Å; K162-N164 PolarHBondContact O-N 3.18Å; N164-G166 PolarHBondContact O-N 3.03Å; N164-I167 PolarHBondContact ND2-O 3.2Å; N164-I167 PolarHBondContact O-N 3.35Å
165	A	96.3	Very high	97.7	Very high	81 Å²	81	50.7 Å²	50.7	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	35.7	174.4	0	0	0	0	0	114.3	P53 I167	P53-A165 HydrophobicContact CB-CB 4.03Å; P53-A165 HydrophobicContact CG-CB 4.07Å; A165-I167 VanDerWaalsContact C-N 3.26Å; A165-I167 PolarHBondContact O-N 3.5Å
166	G	96.2	Very high	97.7	Very high	68 Å²	68	50.7 Å²	50.7	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-0	179.4	0	0	0	0	0	115.7	N164 P168	N164-G166 PolarHBondContact O-N 3.03Å; G166-P168 VanDerWaalsContact O-CD 3.31Å; G166-P168 WeakPolarHBondContact O-CD 3.37Å
167	I	97.9	Very high	97.7	Very high	72 Å²	72	50 Å²	50	37%	0.369	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-74.8	120.4	174.2	-59.1	-57.9	0	0	0	109.3	P53 N164 A165	P53-I167 HydrophobicContact CB-CB 4.16Å; P53-I167 HydrophobicContact CB-CG1 3.74Å; P53-I167 HydrophobicContact CG-CG1 3.96Å; N164-I167 PolarHBondContact ND2-O 3.2Å; N164-I167 PolarHBondContact O-N 3.35Å; A165-I167 VanDerWaalsContact C-N 3.26Å; A165-I167 PolarHBondContact O-N 3.5Å
168	P	97.6	Very high	97.7	Very high	102 Å²	102	47.1 Å²	47.1	66%	0.662	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-64.7	137.6	177.8	-21.7	34.1	0	0	0	111.9	S55 G166	S55-P168 WeakPolarHBondContact CA-O 3.38Å; S55-P168 VanDerWaalsContact CB-O 3.29Å; S55-P168 WeakPolarHBondContact CB-O 3.15Å; G166-P168 VanDerWaalsContact O-CD 3.31Å; G166-P168 WeakPolarHBondContact O-CD 3.37Å
169	I	98.6	Very high	97.7	Very high	18 Å²	18	47 Å²	47	9%	0.092	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-86.3	126.3	177	-61.2	165	0	0	0	109.7	I57 W156 L159 N160 L171 S174	I57-I169 HydrophobicContact CB-CG2 4.46Å; I57-I169 HydrophobicContact CD1-CD1 4.35Å; I57-I169 HydrophobicContact CD1-CG1 4.25Å; I57-I169 HydrophobicContact CG1-CB 4.39Å; I57-I169 HydrophobicContact CG1-CD1 3.91Å; I57-I169 HydrophobicContact CG1-CG1 3.89Å; I57-I169 HydrophobicContact CG1-CG2 3.6Å; W156-I169 HydrophobicContact CH2-CG2 4.05Å; W156-I169 HydrophobicContact CZ2-CB 4.44Å; W156-I169 HydrophobicContact CZ2-CD1 4.24Å; W156-I169 HydrophobicContact CZ2-CG2 3.58Å; L159-I169 HydrophobicContact CD2-CD1 4.01Å; L159-I169 HydrophobicContact CG-CD1 3.95Å; N160-I169 HydrophobicContact CB-CD1 4.08Å; I169-L171 HydrophobicContact CG2-CD2 4.37Å; I169-L171 PolarHBondContact O-N 3.32Å; I169-S174 WeakPolarHBondContact CG2-OG 3.4Å
170	D	98.5	Very high	97.6	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.364	29%	0.291	S	S	.	.			trans	-82.7	106.5	170.6	179.9	-9.5	0	0	0	109.1	S55 S172 A173 S174	S55-D170 PolarHBondContact O-N 3.03Å; D170-S172 VanDerWaalsContact C-N 3.26Å; D170-S172 PolarHBondContact O-N 3.33Å; D170-S172 WeakPolarHBondContact OD1-CA 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.32Å; D170-S172 PolarHBondContact OD1-N 3.03Å; D170-S172 PolarHBondContact OD1-OG 3.05Å; D170-A173 HydrophobicContact CB-CB 4.04Å; D170-A173 PolarHBondContact O-N 3.39Å; D170-A173 PolarHBondContact OD1-N 3.4Å; D170-A173 WeakPolarHBondContact OD2-CB 3.49Å; D170-S174 VanDerWaalsContact O-CB 3.26Å; D170-S174 WeakPolarHBondContact O-CB 3.23Å; D170-S174 PolarHBondContact O-N 2.84Å; D170-S174 PolarHBondContact O-OG 3.42Å
171	L	98.3	Very high	97.7	Very high	71 Å²	71	44.1 Å²	44.1	37%	0.372	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.9	-179.1	-55.6	-177.3	0	0	0	112.5	W156 I169 S174 V204 I206	W156-L171 HydrophobicContact CZ2-CD2 3.69Å; I169-L171 HydrophobicContact CG2-CD2 4.37Å; I169-L171 PolarHBondContact O-N 3.32Å; L171-S174 PolarHBondContact O-N 2.87Å; L171-V204 HydrophobicContact CD2-CG1 4.23Å; L171-I206 HydrophobicContact CB-CG2 3.88Å; L171-I206 HydrophobicContact CD2-CG2 3.75Å; L171-I206 HydrophobicContact CG-CG2 4.37Å
172	S	98	Very high	97.7	Very high	107 Å²	107	39.2 Å²	39.2	75%	0.748	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.9	-178.9	74.8	0	0	0	0	112.5	D170	D170-S172 VanDerWaalsContact C-N 3.26Å; D170-S172 PolarHBondContact O-N 3.33Å; D170-S172 WeakPolarHBondContact OD1-CA 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.32Å; D170-S172 PolarHBondContact OD1-N 3.03Å; D170-S172 PolarHBondContact OD1-OG 3.05Å
173	A	98.1	Very high	97.7	Very high	24 Å²	24	32.7 Å²	32.7	20%	0.198	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.1	175.4	0	0	0	0	0	113.5	K56 Y101 D170	K56-A173 HydrophobicContact CG-CB 4.02Å; Y101-A173 VanDerWaalsContact CE1-O 3.28Å; Y101-A173 WeakPolarHBondContact CE1-O 3.43Å; Y101-A173 PolarHBondContact OH-O 3.35Å; D170-A173 HydrophobicContact CB-CB 4.04Å; D170-A173 PolarHBondContact O-N 3.39Å; D170-A173 PolarHBondContact OD1-N 3.4Å; D170-A173 WeakPolarHBondContact OD2-CB 3.49Å
174	S	98.7	Very high	97.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	24%	0.235	C	C	.	.			trans	-100	156.4	178.3	-62.3	0	0	0	0	111.4	I57 I169 D170 L171	I57-S174 PolarHBondContact N-OG 2.99Å; I57-S174 WeakPolarHBondContact O-CA 3.49Å; I57-S174 WeakPolarHBondContact O-CB 3.18Å; I169-S174 WeakPolarHBondContact CG2-OG 3.4Å; D170-S174 VanDerWaalsContact O-CB 3.26Å; D170-S174 WeakPolarHBondContact O-CB 3.23Å; D170-S174 PolarHBondContact O-N 2.84Å; D170-S174 PolarHBondContact O-OG 3.42Å; L171-S174 PolarHBondContact O-N 2.87Å
175	L	98.6	Very high	97.4	Very high	9 Å²	9	38 Å²	38	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.5	176.4	73.9	92.7	0	0	0	111.7	I57 L58 G59 Y96 R207 L209 L214	I57-L175 PolarHBondContact O-N 3.16Å; L58-L175 HydrophobicContact CD1-CD1 3.22Å; L58-L175 HydrophobicContact CD1-CG 3.78Å; G59-L175 PolarHBondContact N-O 3Å; Y96-L175 HydrophobicContact CE1-CD2 3.9Å; L175-R207 CarbonylContact C-O 3.58Å; L175-R207 VanDerWaalsContact CA-O 3.28Å; L175-R207 WeakPolarHBondContact CA-O 3.35Å; L175-R207 HydrophobicContact CB-CB 4.04Å; L175-L209 HydrophobicContact CD1-CD1 4.09Å; L175-L209 HydrophobicContact CD2-CD1 4.44Å; L175-L214 HydrophobicContact CD1-CD1 4.28Å
176	Y	98.8	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.3	175.9	-176.7	-109.2	0	0	0	110.8	G59 D61 L106 K150 D197 F200 A201 R207 F208 L209	G59-Y176 CarbonylContact O-C 3.59Å; G59-Y176 VanDerWaalsContact O-CA 3.25Å; G59-Y176 WeakPolarHBondContact O-CA 3.21Å; G59-Y176 WeakPolarHBondContact O-CD2 3.49Å; D61-Y176 WeakPolarHBondContact CB-OH 3.28Å; L106-Y176 HydrophobicContact CB-CE2 3.99Å; L106-Y176 HydrophobicContact CD1-CD2 3.87Å; L106-Y176 HydrophobicContact CD1-CE2 3.72Å; L106-Y176 HydrophobicContact CG-CE2 4.45Å; L106-Y176 PolarHBondContact O-OH 3.34Å; K150-Y176 VanDerWaalsContact CD-OH 3.23Å; K150-Y176 WeakPolarHBondContact CD-OH 3.3Å; K150-Y176 PolarHBondContact NZ-OH 3.49Å; Y176-D197 HydrophobicContact CE1-CB 3.65Å; Y176-D197 WeakPolarHBondContact CE1-O 3.45Å; Y176-D197 WeakPolarHBondContact CE1-OD1 3.5Å; Y176-D197 PolarHBondContact OH-OD1 2.72Å; Y176-F200 AromaticContact CD1-CD1 3.75Å; Y176-F200 HydrophobicContact CD1-CD1 3.75Å; Y176-F200 HydrophobicContact CD1-CE1 4.36Å; Y176-F200 HydrophobicContact CD2-CD1 4.15Å; Y176-F200 AromaticContact CD2-CE1 3.94Å; Y176-F200 HydrophobicContact CD2-CE1 3.94Å; Y176-F200 AromaticContact CE1-CD1 3.68Å; Y176-F200 HydrophobicContact CE1-CD1 3.68Å; Y176-F200 HydrophobicContact CE1-CE1 4.37Å; Y176-F200 HydrophobicContact CE1-CG 4.48Å; Y176-F200 HydrophobicContact CE2-CD1 4.13Å; Y176-F200 HydrophobicContact CE2-CE1 4.01Å; Y176-F200 AromaticContact CG-CD1 3.98Å; Y176-F200 HydrophobicContact CG-CD1 3.98Å; Y176-F200 HydrophobicContact CG-CE1 4.14Å; Y176-F200 AromaticContact CZ-CD1 3.89Å; Y176-A201 HydrophobicContact CD1-CB 4.07Å; Y176-R207 PolarHBondContact N-O 3.05Å; Y176-F208 HydrophobicContact CD1-CD2 4Å; Y176-F208 HydrophobicContact CD1-CE2 4.14Å; Y176-F208 CarbonylContact O-C 3.49Å; Y176-F208 WeakPolarHBondContact O-CA 3.32Å; Y176-L209 PolarHBondContact O-N 3.49Å
177	S	98.7	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.1	173.3	176.4	0	0	0	0	112.2	G59 L60 D61 L209 L214	G59-S177 PolarHBondContact O-N 2.71Å; L60-S177 CarbonylContact C-O 3.53Å; L60-S177 WeakPolarHBondContact CA-O 3.49Å; D61-S177 PolarHBondContact N-O 3.5Å; S177-L209 WeakPolarHBondContact CA-O 3.34Å; S177-L209 PolarHBondContact OG-O 3.2Å; S177-L214 VanDerWaalsContact CB-CD2 3.43Å
178	G	98.3	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.291	C	S	.	.			trans	-163.2	153.3	178.4	0	0	0	0	0	114.2	T65 D197 F208 L209 P211	T65-G178 WeakPolarHBondContact OG1-CA 3.4Å; G178-D197 WeakPolarHBondContact CA-OD2 3.36Å; G178-F208 VanDerWaalsContact O-CZ 3.32Å; G178-F208 WeakPolarHBondContact O-CZ 3.47Å; G178-L209 PolarHBondContact N-O 3.44Å; G178-P211 WeakPolarHBondContact O-CD 3.45Å
179	D	97.1	Very high	95.7	Very high	29 Å²	29	43.2 Å²	43.2	16%	0.155	27%	0.269	C	S	.	.	S	Bend	trans	-78.9	-26.5	-175.8	86.3	-56.6	0	0	0	113	G64 T65 A181 R183 H193 D197 P211	G64-D179 WeakPolarHBondContact O-CB 3.5Å; T65-D179 PolarHBondContact OG1-N 3.26Å; T65-D179 VanDerWaalsContact OG1-N 3.07Å; D179-A181 PolarHBondContact O-N 2.84Å; D179-R183 PolarHBondContact O-NH2 2.83Å; D179-H193 IonicContact OD1-CE1 2.79Å; D179-H193 IonicContact OD2-CE1 3.87Å; D179-H193 IonicContact OD2-ND1 3.5Å; D179-D197 PolarHBondContact N-OD2 2.81Å; D179-P211 HydrophobicContact CB-CG 4.07Å
180	A	97.4	Very high	95.4	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	30%	0.299	C	S	.	.			trans	-75.7	67.4	179.4	0	0	0	0	0	111.3	S194 C195 A196 D197 R198	A180-S194 CarbonylContact C-O 3.58Å; A180-S194 VanDerWaalsContact C-O 3.3Å; A180-S194 WeakPolarHBondContact CA-O 3.39Å; A180-S194 WeakPolarHBondContact CB-OG 3.34Å; A180-C195 CarbonylContact O-C 3.57Å; A180-C195 WeakPolarHBondContact O-CA 3.17Å; A180-A196 HydrophobicContact CB-CB 4.34Å; A180-A196 PolarHBondContact O-N 3.13Å; A180-D197 HydrophobicContact CB-CB 4.03Å; A180-D197 VanDerWaalsContact CB-OD2 3.3Å; A180-D197 WeakPolarHBondContact CB-OD2 3.36Å; A180-D197 PolarHBondContact N-OD2 2.67Å; A180-D197 VanDerWaalsContact N-OD2 3.09Å; A180-D197 PolarHBondContact O-N 3.08Å; A180-D197 VanDerWaalsContact O-N 3.1Å; A180-R198 PolarHBondContact O-N 3.06Å
181	A	97.3	Very high	95.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-106	8.1	-168	0	0	0	0	0	113.7	D179 R183 D192 R198 F208 T210 F224	D179-A181 PolarHBondContact O-N 2.84Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 HydrophobicContact CB-CG 4.03Å; A181-R183 PolarHBondContact O-N 2.78Å; A181-D192 WeakPolarHBondContact CA-OD2 3.33Å; A181-D192 WeakPolarHBondContact CB-OD2 3.48Å; A181-D192 PolarHBondContact N-OD2 3.2Å; A181-R198 PolarHBondContact O-NE 2.93Å; A181-R198 PolarHBondContact O-NH2 2.79Å; A181-F208 HydrophobicContact CB-CE1 3.71Å; A181-F208 HydrophobicContact CB-CZ 3.74Å; A181-T210 HydrophobicContact CB-CG2 3.92Å; A181-F224 WeakPolarHBondContact O-CB 3.43Å
182	G	96.5	Very high	95	Very high	15 Å²	15	52.3 Å²	52.3	16%	0.155	30%	0.303	C	S	.	.			trans	68.6	22.2	178	0	0	0	0	0	114.3	D192 S194 F224 K225	G182-D192 PolarHBondContact N-OD2 3.14Å; G182-S194 PolarHBondContact N-O 2.61Å; G182-S194 VanDerWaalsContact N-O 3.16Å; G182-F224 WeakPolarHBondContact O-CA 3.28Å; G182-K225 PolarHBondContact O-N 3.1Å
183	R	95.9	Very high	94.7	Very high	8 Å²	8	52.5 Å²	52.5	3%	0.03	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.4	142.1	-176.4	-59.7	171	-73.3	-177.4	-5.9	111.9	D179 A181 K191 D192 E212 E222 F224	D179-R183 PolarHBondContact O-NH2 2.83Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 HydrophobicContact CB-CG 4.03Å; A181-R183 PolarHBondContact O-N 2.78Å; R183-K191 WeakPolarHBondContact O-CA 3.35Å; R183-D192 WeakPolarHBondContact CB-OD2 3.42Å; R183-D192 VanDerWaalsContact CG-OD2 3.29Å; R183-D192 WeakPolarHBondContact CG-OD2 3.41Å; R183-D192 IonicContact CZ-OD1 2.88Å; R183-D192 IonicContact CZ-OD2 2.69Å; R183-D192 PolarHBondContact N-OD2 3.3Å; R183-D192 IonicContact NE-OD1 3.37Å; R183-D192 PolarHBondContact NE-OD1 3.28Å; R183-D192 IonicContact NE-OD2 2.83Å; R183-D192 PolarHBondContact NE-OD2 2.95Å; R183-D192 IonicContact NH2-OD1 2.77Å; R183-D192 IonicContact NH2-OD2 2.73Å; R183-D192 PolarHBondContact O-N 3.47Å; R183-E212 IonicContact CZ-OE2 3.11Å; R183-E212 VanDerWaalsContact NH1-CD 3.33Å; R183-E212 IonicContact NH1-OE1 3.62Å; R183-E212 PolarHBondContact NH1-OE1 3.44Å; R183-E212 IonicContact NH1-OE2 2.7Å; R183-E212 PolarHBondContact NH1-OE2 3.19Å; R183-E212 IonicContact NH2-OE1 3.46Å; R183-E212 IonicContact NH2-OE2 2.61Å; R183-E222 WeakPolarHBondContact CD-OE2 3.42Å; R183-E222 IonicContact CZ-OE2 3.92Å; R183-E222 IonicContact NE-OE2 3.64Å; R183-E222 IonicContact NH1-OE2 3.03Å; R183-E222 PolarHBondContact NH1-OE2 3.01Å; R183-F224 HydrophobicContact CG-CB 4.39Å
184	P	94.9	Very high	94.5	Very high	52 Å²	52	51.6 Å²	51.6	34%	0.338	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-69.2	170	171.6	33.4	-33.4	0	0	0	110.6	R189 K223	P184-R189 PolarHBondContact O-NH1 3.43Å; P184-R189 PolarHBondContact O-NH2 3.28Å; P184-K223 WeakPolarHBondContact CD-O 3.43Å; P184-K223 HydrophobicContact CG-CB 4.48Å
185	A	93.4	Very high	94.4	Very high	69 Å²	69	51.7 Å²	51.7	57%	0.57	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-63.3	138.9	170.1	0	0	0	0	0	109.9	R189 K191	A185-R189 WeakPolarHBondContact CA-O 3.41Å; A185-K191 HydrophobicContact CB-CB 4.39Å
186	S	90.2	Very high	94.4	Very high	72 Å²	72	51.4 Å²	51.4	50%	0.503	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-148.8	123.1	178.2	-174.1	0	0	0	0	109.7	K188 R189	S186-K188 PolarHBondContact O-N 3.26Å; S186-K188 VanDerWaalsContact O-N 3.14Å; S186-R189 PolarHBondContact N-O 2.85Å; S186-R189 WeakPolarHBondContact O-CB 3.31Å; S186-R189 PolarHBondContact O-N 2.97Å
187	G	87.8	Confident	94.4	Very high	86 Å²	86	51.5 Å²	51.5	89%	0.887	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	-118.1	-175.7	0	0	0	0	0	112.2
188	K	86.7	Confident	94.4	Very high	219 Å²	219	52.6 Å²	52.6	95%	0.952	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.5	177.4	-65.6	-177.4	-179.8	177.5	0	113.7	S186	S186-K188 PolarHBondContact O-N 3.26Å; S186-K188 VanDerWaalsContact O-N 3.14Å
189	R	88.5	Confident	94.4	Very high	56 Å²	56	52.6 Å²	52.6	21%	0.211	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-78.5	124.4	-179.5	-170	172.8	60	66.9	4.3	109.3	P184 A185 S186 D192 E222	P184-R189 PolarHBondContact O-NH1 3.43Å; P184-R189 PolarHBondContact O-NH2 3.28Å; A185-R189 WeakPolarHBondContact CA-O 3.41Å; S186-R189 PolarHBondContact N-O 2.85Å; S186-R189 WeakPolarHBondContact O-CB 3.31Å; S186-R189 PolarHBondContact O-N 2.97Å; R189-D192 IonicContact NH1-OD1 2.84Å; R189-D192 PolarHBondContact NH1-OD1 3.48Å; R189-E222 IonicContact CZ-OE1 2.71Å; R189-E222 IonicContact NE-OE1 2.77Å; R189-E222 IonicContact NH2-OE1 3.74Å; R189-E222 PolarHBondContact NH2-OE1 3.15Å; R189-E222 IonicContact NH2-OE2 3.54Å
190	K	91.2	Very high	94.4	Very high	167 Å²	167	51.2 Å²	51.2	73%	0.726	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-67.3	158.2	170.9	-67	-179	-178.8	175.7	0	109.4	D192	K190-D192 PolarHBondContact O-N 3.35Å
191	K	94.3	Very high	94.5	Very high	159 Å²	159	51.1 Å²	51.1	69%	0.691	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-54.7	143.3	169.6	70.9	-178.6	-175.6	-178.4	0	109.7	R183 A185 H193	R183-K191 WeakPolarHBondContact O-CA 3.35Å; A185-K191 HydrophobicContact CB-CB 4.39Å; K191-H193 PolarHBondContact O-N 3.4Å
192	D	95	Very high	94.5	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.118	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-60.8	142	178.8	-66.4	-5.2	0	0	0	109.6	A181 G182 R183 R189 K190 S194	A181-D192 WeakPolarHBondContact CA-OD2 3.33Å; A181-D192 WeakPolarHBondContact CB-OD2 3.48Å; A181-D192 PolarHBondContact N-OD2 3.2Å; G182-D192 PolarHBondContact N-OD2 3.14Å; R183-D192 WeakPolarHBondContact CB-OD2 3.42Å; R183-D192 VanDerWaalsContact CG-OD2 3.29Å; R183-D192 WeakPolarHBondContact CG-OD2 3.41Å; R183-D192 IonicContact CZ-OD1 2.88Å; R183-D192 IonicContact CZ-OD2 2.69Å; R183-D192 PolarHBondContact N-OD2 3.3Å; R183-D192 IonicContact NE-OD1 3.37Å; R183-D192 PolarHBondContact NE-OD1 3.28Å; R183-D192 IonicContact NE-OD2 2.83Å; R183-D192 PolarHBondContact NE-OD2 2.95Å; R183-D192 IonicContact NH2-OD1 2.77Å; R183-D192 IonicContact NH2-OD2 2.73Å; R183-D192 PolarHBondContact O-N 3.47Å; R189-D192 IonicContact NH1-OD1 2.84Å; R189-D192 PolarHBondContact NH1-OD1 3.48Å; K190-D192 PolarHBondContact O-N 3.35Å; D192-S194 PolarHBondContact O-N 3.44Å
193	H	90.8	Very high	94.6	Very high	111 Å²	111	55 Å²	55	51%	0.514	30%	0.295	S	S	.	.	S	Bend	trans	-71.9	-19.3	-175.4	73.4	-88.3	0	0	0	111.7	D179 K191 K411	D179-H193 IonicContact OD1-CE1 2.79Å; D179-H193 IonicContact OD2-CE1 3.87Å; D179-H193 IonicContact OD2-ND1 3.5Å; K191-H193 PolarHBondContact O-N 3.4Å; H193-K411 WeakPolarHBondContact O-CE 3.41Å; H193-K411 PolarHBondContact O-NZ 2.92Å
194	S	94.6	Very high	94.7	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.035	30%	0.299	C	S	.	.			trans	-160.8	179.9	175	74.6	0	0	0	0	111.2	A180 G182 D192 A196	A180-S194 CarbonylContact C-O 3.58Å; A180-S194 VanDerWaalsContact C-O 3.3Å; A180-S194 WeakPolarHBondContact CA-O 3.39Å; A180-S194 WeakPolarHBondContact CB-OG 3.34Å; G182-S194 PolarHBondContact N-O 2.61Å; G182-S194 VanDerWaalsContact N-O 3.16Å; D192-S194 PolarHBondContact O-N 3.44Å; S194-A196 PolarHBondContact OG-N 3.22Å
195	C	97.1	Very high	94.8	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	31%	0.308	C	S	.	.	S	Bend	trans	-114.1	15.1	171.4	-156.8	0	0	0	0	111.2	A180 D197 R198 L199 E410	A180-C195 CarbonylContact O-C 3.57Å; A180-C195 WeakPolarHBondContact O-CA 3.17Å; C195-D197 VanDerWaalsContact C-N 3.27Å; C195-D197 PolarHBondContact O-N 3.5Å; C195-R198 PolarHBondContact O-N 3.43Å; C195-L199 HydrophobicContact CB-CD1 3.89Å; C195-L199 HydrophobicContact CB-CG 4.08Å; C195-L199 WeakPolarHBondContact O-CB 3.45Å; C195-L199 WeakPolarHBondContact O-CG 3.47Å; C195-L199 PolarHBondContact O-N 2.85Å; C195-E410 PolarHBondContact N-O 3.23Å
196	A	98.1	Very high	95	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-35.5	-168.3	0	0	0	0	0	113.7	K150 A180 S194 F200 E410	K150-A196 HydrophobicContact CB-CB 4.32Å; A180-A196 HydrophobicContact CB-CB 4.34Å; A180-A196 PolarHBondContact O-N 3.13Å; S194-A196 PolarHBondContact OG-N 3.22Å; A196-F200 WeakPolarHBondContact O-CB 3.38Å; A196-F200 PolarHBondContact O-N 3.05Å; A196-E410 HydrophobicContact CB-CB 4.15Å; A196-E410 HydrophobicContact CB-CG 3.92Å
197	D	98.7	Very high	95.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-75.5	-44.6	-177.1	-75	-37.2	0	0	0	112.5	K150 Y176 G178 D179 A180 C195 L199 F200 A201 F208	K150-D197 WeakPolarHBondContact CE-OD1 3.39Å; K150-D197 IonicContact NZ-OD1 2.83Å; K150-D197 PolarHBondContact NZ-OD1 2.79Å; Y176-D197 HydrophobicContact CE1-CB 3.65Å; Y176-D197 WeakPolarHBondContact CE1-O 3.45Å; Y176-D197 WeakPolarHBondContact CE1-OD1 3.5Å; Y176-D197 PolarHBondContact OH-OD1 2.72Å; G178-D197 WeakPolarHBondContact CA-OD2 3.36Å; D179-D197 PolarHBondContact N-OD2 2.81Å; A180-D197 HydrophobicContact CB-CB 4.03Å; A180-D197 VanDerWaalsContact CB-OD2 3.3Å; A180-D197 WeakPolarHBondContact CB-OD2 3.36Å; A180-D197 PolarHBondContact N-OD2 2.67Å; A180-D197 VanDerWaalsContact N-OD2 3.09Å; A180-D197 PolarHBondContact O-N 3.08Å; A180-D197 VanDerWaalsContact O-N 3.1Å; C195-D197 VanDerWaalsContact C-N 3.27Å; C195-D197 PolarHBondContact O-N 3.5Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-F200 WeakPolarHBondContact O-CB 3.46Å; D197-F200 PolarHBondContact O-N 3.21Å; D197-A201 PolarHBondContact O-N 3.05Å; D197-F208 HydrophobicContact CB-CE2 3.83Å; D197-F208 HydrophobicContact CB-CZ 4.25Å
198	R	98.2	Very high	95.9	Very high	24 Å²	24	54.6 Å²	54.6	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-44.5	174.9	-178	-178.1	-62	-80	0.7	110.9	A180 A181 C195 F200 A201 Q202 F208	A180-R198 PolarHBondContact O-N 3.06Å; A181-R198 PolarHBondContact O-NE 2.93Å; A181-R198 PolarHBondContact O-NH2 2.79Å; C195-R198 PolarHBondContact O-N 3.43Å; R198-F200 VanDerWaalsContact C-N 3.35Å; R198-A201 PolarHBondContact O-N 3.21Å; R198-Q202 PolarHBondContact O-N 3.24Å; R198-F208 HydrophobicContact CB-CD1 4.03Å; R198-F208 HydrophobicContact CB-CD2 4.49Å; R198-F208 HydrophobicContact CB-CE1 3.83Å; R198-F208 HydrophobicContact CB-CE2 4.33Å; R198-F208 HydrophobicContact CB-CG 4.33Å; R198-F208 HydrophobicContact CB-CZ 3.98Å; R198-F208 HydrophobicContact CG-CD1 3.96Å; R198-F208 HydrophobicContact CG-CE1 4.19Å; R198-F208 HydrophobicContact CG-CG 4.35Å
199	L	98.3	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-34.2	179.2	-63.4	176	0	0	0	112.1	P151 C195 D197 Q202 N203 M226 P227 Y407 L409	P151-L199 HydrophobicContact CB-CB 3.51Å; P151-L199 HydrophobicContact CG-CB 4.31Å; C195-L199 HydrophobicContact CB-CD1 3.89Å; C195-L199 HydrophobicContact CB-CG 4.08Å; C195-L199 WeakPolarHBondContact O-CB 3.45Å; C195-L199 WeakPolarHBondContact O-CG 3.47Å; C195-L199 PolarHBondContact O-N 2.85Å; D197-L199 VanDerWaalsContact C-N 3.33Å; L199-Q202 PolarHBondContact O-N 2.81Å; L199-N203 WeakPolarHBondContact O-CB 3.28Å; L199-N203 VanDerWaalsContact O-CG 3.27Å; L199-N203 PolarHBondContact O-N 2.99Å; L199-N203 PolarHBondContact O-ND2 3.47Å; L199-M226 HydrophobicContact CD2-CE 3.44Å; L199-M226 VanDerWaalsContact CD2-CE 3.44Å; L199-M226 HydrophobicContact CD2-SD 4.31Å; L199-P227 HydrophobicContact CD1-CG 3.6Å; L199-P227 HydrophobicContact CD2-CG 4.01Å; L199-P227 HydrophobicContact CG-CG 4.42Å; L199-Y407 HydrophobicContact CB-CG 4.35Å; L199-Y407 HydrophobicContact CD1-CD1 4.39Å; L199-Y407 HydrophobicContact CD1-CG 4.39Å; L199-Y407 HydrophobicContact CD2-CD1 3.79Å; L199-Y407 HydrophobicContact CD2-CD2 3.71Å; L199-Y407 HydrophobicContact CD2-CE1 3.94Å; L199-Y407 HydrophobicContact CD2-CE2 3.86Å; L199-Y407 HydrophobicContact CD2-CG 3.66Å; L199-Y407 HydrophobicContact CG-CG 4.33Å; L199-L409 WeakPolarHBondContact CD1-O 3.45Å
200	F	98.7	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-52.8	171	172.9	-98.3	0	0	0	111.3	L106 K150 P151 L152 W156 Y176 A196 D197 R198 Q202 N203 V204	L106-F200 HydrophobicContact CD1-CE1 3.76Å; L106-F200 HydrophobicContact CD1-CZ 3.84Å; L106-F200 HydrophobicContact CD2-CZ 4.45Å; K150-F200 HydrophobicContact CB-CB 4.17Å; K150-F200 HydrophobicContact CB-CD2 4.32Å; K150-F200 HydrophobicContact CB-CG 4.48Å; K150-F200 HydrophobicContact CD-CB 4.31Å; K150-F200 HydrophobicContact CD-CD2 4.33Å; K150-F200 HydrophobicContact CD-CG 4.14Å; K150-F200 HydrophobicContact CG-CB 4.15Å; K150-F200 HydrophobicContact CG-CD2 3.71Å; K150-F200 HydrophobicContact CG-CE2 4.24Å; K150-F200 HydrophobicContact CG-CG 3.96Å; P151-F200 WeakPolarHBondContact O-CA 3.46Å; L152-F200 VanDerWaalsContact O-CD2 3.27Å; L152-F200 WeakPolarHBondContact O-CD2 3.26Å; L152-F200 WeakPolarHBondContact O-CE2 3.34Å; W156-F200 HydrophobicContact CB-CE2 4.26Å; W156-F200 HydrophobicContact CB-CZ 3.85Å; W156-F200 HydrophobicContact CE3-CZ 4.45Å; Y176-F200 AromaticContact CD1-CD1 3.75Å; Y176-F200 HydrophobicContact CD1-CD1 3.75Å; Y176-F200 HydrophobicContact CD1-CE1 4.36Å; Y176-F200 HydrophobicContact CD2-CD1 4.15Å; Y176-F200 AromaticContact CD2-CE1 3.94Å; Y176-F200 HydrophobicContact CD2-CE1 3.94Å; Y176-F200 AromaticContact CE1-CD1 3.68Å; Y176-F200 HydrophobicContact CE1-CD1 3.68Å; Y176-F200 HydrophobicContact CE1-CE1 4.37Å; Y176-F200 HydrophobicContact CE1-CG 4.48Å; Y176-F200 HydrophobicContact CE2-CD1 4.13Å; Y176-F200 HydrophobicContact CE2-CE1 4.01Å; Y176-F200 AromaticContact CG-CD1 3.98Å; Y176-F200 HydrophobicContact CG-CD1 3.98Å; Y176-F200 HydrophobicContact CG-CE1 4.14Å; Y176-F200 AromaticContact CZ-CD1 3.89Å; A196-F200 WeakPolarHBondContact O-CB 3.38Å; A196-F200 PolarHBondContact O-N 3.05Å; D197-F200 WeakPolarHBondContact O-CB 3.46Å; D197-F200 PolarHBondContact O-N 3.21Å; R198-F200 VanDerWaalsContact C-N 3.35Å; F200-Q202 VanDerWaalsContact C-N 3.26Å; F200-Q202 PolarHBondContact O-N 3.43Å; F200-N203 PolarHBondContact O-N 3.44Å; F200-N203 VanDerWaalsContact O-N 3.13Å; F200-V204 HydrophobicContact CD1-CG2 4.45Å; F200-V204 HydrophobicContact CD2-CG2 4.4Å; F200-V204 HydrophobicContact CE1-CG2 4.11Å; F200-V204 HydrophobicContact CE2-CG2 4.08Å; F200-V204 HydrophobicContact CZ-CG2 3.94Å; F200-V204 WeakPolarHBondContact O-CG2 3.12Å; F200-V204 PolarHBondContact O-N 3.4Å
201	A	98.5	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-41	178.2	0	0	0	0	0	112	Y176 D197 R198 V204 G205 I206 F208	Y176-A201 HydrophobicContact CD1-CB 4.07Å; D197-A201 PolarHBondContact O-N 3.05Å; R198-A201 PolarHBondContact O-N 3.21Å; A201-V204 PolarHBondContact O-N 2.85Å; A201-G205 PolarHBondContact O-N 3.15Å; A201-I206 HydrophobicContact CB-CG1 4.06Å; A201-I206 PolarHBondContact O-N 3.43Å; A201-F208 HydrophobicContact CB-CB 3.74Å; A201-F208 HydrophobicContact CB-CD2 3.83Å; A201-F208 HydrophobicContact CB-CG 4.18Å
202	Q	97.3	Very high	97.2	Very high	77 Å²	77	29.5 Å²	29.5	36%	0.36	15%	0.148	S	C	.	.	H	α-helix	trans	-65.9	-40.7	176.3	-174.6	169.3	-12.4	0	0	112.9	R198 L199 F200 V204 G205 Y407	R198-Q202 PolarHBondContact O-N 3.24Å; L199-Q202 PolarHBondContact O-N 2.81Å; F200-Q202 VanDerWaalsContact C-N 3.26Å; F200-Q202 PolarHBondContact O-N 3.43Å; Q202-V204 VanDerWaalsContact C-N 3.31Å; Q202-V204 PolarHBondContact O-N 3.22Å; Q202-G205 PolarHBondContact O-N 2.78Å; Q202-Y407 HydrophobicContact CG-CE2 4.31Å
203	N	98.1	Very high	97.2	Very high	19 Å²	19	29 Å²	29	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-32.3	176.7	-79.1	-18.5	0	0	0	113.2	P151 T153 L199 F200 K406 Y407	P151-N203 PolarHBondContact O-ND2 2.95Å; T153-N203 HydrophobicContact CG2-CB 3.68Å; L199-N203 WeakPolarHBondContact O-CB 3.28Å; L199-N203 VanDerWaalsContact O-CG 3.27Å; L199-N203 PolarHBondContact O-N 2.99Å; L199-N203 PolarHBondContact O-ND2 3.47Å; F200-N203 PolarHBondContact O-N 3.44Å; F200-N203 VanDerWaalsContact O-N 3.13Å; N203-K406 HydrophobicContact CB-CB 4.48Å; N203-K406 HydrophobicContact CB-CD 4.46Å; N203-K406 HydrophobicContact CB-CG 4.33Å; N203-K406 WeakPolarHBondContact OD1-CA 3.39Å; N203-K406 WeakPolarHBondContact OD1-CB 3.33Å; N203-Y407 PolarHBondContact ND2-N 3.28Å; N203-Y407 PolarHBondContact ND2-O 3.28Å; N203-Y407 PolarHBondContact OD1-N 3.06Å
204	V	98.1	Very high	97.6	Very high	20 Å²	20	23.7 Å²	23.7	12%	0.121	12%	0.12	C	C	.	.	H	α-helix	trans	-76.4	-34.1	173.4	177.4	0	0	0	0	110.9	T153 W156 L171 F200 A201 Q202 I206	T153-V204 HydrophobicContact CG2-CG2 3.64Å; W156-V204 HydrophobicContact CB-CG2 3.87Å; W156-V204 HydrophobicContact CD2-CG1 3.61Å; W156-V204 HydrophobicContact CD2-CG2 4.21Å; W156-V204 HydrophobicContact CE3-CG1 4.33Å; W156-V204 HydrophobicContact CG-CB 4.48Å; W156-V204 HydrophobicContact CG-CG1 3.71Å; W156-V204 HydrophobicContact CG-CG2 3.81Å; W156-V204 HydrophobicContact CZ2-CG1 3.94Å; L171-V204 HydrophobicContact CD2-CG1 4.23Å; F200-V204 HydrophobicContact CD1-CG2 4.45Å; F200-V204 HydrophobicContact CD2-CG2 4.4Å; F200-V204 HydrophobicContact CE1-CG2 4.11Å; F200-V204 HydrophobicContact CE2-CG2 4.08Å; F200-V204 HydrophobicContact CZ-CG2 3.94Å; F200-V204 WeakPolarHBondContact O-CG2 3.12Å; F200-V204 PolarHBondContact O-N 3.4Å; A201-V204 PolarHBondContact O-N 2.85Å; Q202-V204 VanDerWaalsContact C-N 3.31Å; Q202-V204 PolarHBondContact O-N 3.22Å; V204-I206 HydrophobicContact CB-CD1 4.21Å; V204-I206 HydrophobicContact CB-CG1 4.07Å; V204-I206 HydrophobicContact CG1-CB 4.43Å; V204-I206 HydrophobicContact CG1-CD1 3.95Å; V204-I206 HydrophobicContact CG1-CG1 4.01Å; V204-I206 HydrophobicContact CG1-CG2 3.77Å
205	G	97.4	Very high	97.7	Very high	50 Å²	50	23.6 Å²	23.6	52%	0.515	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	30.8	-173.8	0	0	0	0	0	113.4	A201 Q202	A201-G205 PolarHBondContact O-N 3.15Å; Q202-G205 PolarHBondContact O-N 2.78Å
206	I	98.1	Very high	97.6	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.067	14%	0.14	C	C	.	.			trans	-111.3	157.5	178.6	57.4	-176.7	0	0	0	111.5	W156 L171 A201 V204 F208	W156-I206 HydrophobicContact CE3-CD1 4.11Å; W156-I206 HydrophobicContact CH2-CD1 3.81Å; W156-I206 HydrophobicContact CH2-CG2 4.13Å; W156-I206 HydrophobicContact CZ2-CD1 4.42Å; W156-I206 HydrophobicContact CZ2-CG2 4.05Å; W156-I206 HydrophobicContact CZ3-CD1 3.65Å; L171-I206 HydrophobicContact CB-CG2 3.88Å; L171-I206 HydrophobicContact CD2-CG2 3.75Å; L171-I206 HydrophobicContact CG-CG2 4.37Å; A201-I206 HydrophobicContact CB-CG1 4.06Å; A201-I206 PolarHBondContact O-N 3.43Å; V204-I206 HydrophobicContact CB-CD1 4.21Å; V204-I206 HydrophobicContact CB-CG1 4.07Å; V204-I206 HydrophobicContact CG1-CB 4.43Å; V204-I206 HydrophobicContact CG1-CD1 3.95Å; V204-I206 HydrophobicContact CG1-CG1 4.01Å; V204-I206 HydrophobicContact CG1-CG2 3.77Å; I206-F208 PolarHBondContact O-N 2.84Å
207	R	98	Very high	97.4	Very high	168 Å²	168	33.3 Å²	33.3	63%	0.634	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.7	177	-177.3	176.5	179.6	177.6	-0.2	110.5	L175 Y176	L175-R207 CarbonylContact C-O 3.58Å; L175-R207 VanDerWaalsContact CA-O 3.28Å; L175-R207 WeakPolarHBondContact CA-O 3.35Å; L175-R207 HydrophobicContact CB-CB 4.04Å; Y176-R207 PolarHBondContact N-O 3.05Å
208	F	98.1	Very high	97.2	Very high	27 Å²	27	37.2 Å²	37.2	12%	0.118	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.4	175.6	-178.1	-106.1	0	0	0	111.6	Y176 G178 A181 D197 R198 A201 I206 T210	Y176-F208 HydrophobicContact CD1-CD2 4Å; Y176-F208 HydrophobicContact CD1-CE2 4.14Å; Y176-F208 CarbonylContact O-C 3.49Å; Y176-F208 WeakPolarHBondContact O-CA 3.32Å; G178-F208 VanDerWaalsContact O-CZ 3.32Å; G178-F208 WeakPolarHBondContact O-CZ 3.47Å; A181-F208 HydrophobicContact CB-CE1 3.71Å; A181-F208 HydrophobicContact CB-CZ 3.74Å; D197-F208 HydrophobicContact CB-CE2 3.83Å; D197-F208 HydrophobicContact CB-CZ 4.25Å; R198-F208 HydrophobicContact CB-CD1 4.03Å; R198-F208 HydrophobicContact CB-CD2 4.49Å; R198-F208 HydrophobicContact CB-CE1 3.83Å; R198-F208 HydrophobicContact CB-CE2 4.33Å; R198-F208 HydrophobicContact CB-CG 4.33Å; R198-F208 HydrophobicContact CB-CZ 3.98Å; R198-F208 HydrophobicContact CG-CD1 3.96Å; R198-F208 HydrophobicContact CG-CE1 4.19Å; R198-F208 HydrophobicContact CG-CG 4.35Å; A201-F208 HydrophobicContact CB-CB 3.74Å; A201-F208 HydrophobicContact CB-CD2 3.83Å; A201-F208 HydrophobicContact CB-CG 4.18Å; I206-F208 PolarHBondContact O-N 2.84Å; F208-T210 HydrophobicContact CE1-CG2 4.18Å
209	L	98.1	Very high	96.9	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.3	168.1	-63.5	177.7	0	0	0	110.3	L175 Y176 S177 G178 Q213 L214	L175-L209 HydrophobicContact CD1-CD1 4.09Å; L175-L209 HydrophobicContact CD2-CD1 4.44Å; Y176-L209 PolarHBondContact O-N 3.49Å; S177-L209 WeakPolarHBondContact CA-O 3.34Å; S177-L209 PolarHBondContact OG-O 3.2Å; G178-L209 PolarHBondContact N-O 3.44Å; L209-Q213 HydrophobicContact CB-CB 4.16Å; L209-Q213 HydrophobicContact CD2-CB 4.19Å; L209-L214 HydrophobicContact CB-CB 4.46Å; L209-L214 HydrophobicContact CD1-CB 4.48Å; L209-L214 HydrophobicContact CD1-CD1 4.08Å
210	T	97.4	Very high	96.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.241	C	C	.	.			trans	-80	163.2	165.1	77.9	0	0	0	0	110.3	A181 F208 E212 Q213 L214	A181-T210 HydrophobicContact CB-CG2 3.92Å; F208-T210 HydrophobicContact CE1-CG2 4.18Å; T210-E212 WeakPolarHBondContact CB-OE2 3.33Å; T210-E212 PolarHBondContact O-N 2.86Å; T210-E212 PolarHBondContact OG1-OE2 2.76Å; T210-Q213 WeakPolarHBondContact O-CB 3.28Å; T210-Q213 PolarHBondContact O-N 3.29Å; T210-Q213 VanDerWaalsContact O-N 3.1Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.37Å; T210-Q213 PolarHBondContact OG1-N 3.29Å; T210-L214 PolarHBondContact O-N 2.98Å
211	P	96.7	Very high	96	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.032	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-37.3	177	-23.4	34	0	0	0	112	T65 G178 D179 L214 W215	T65-P211 HydrophobicContact CG2-CG 4.1Å; G178-P211 WeakPolarHBondContact O-CD 3.45Å; D179-P211 HydrophobicContact CB-CG 4.07Å; P211-L214 PolarHBondContact O-N 2.7Å; P211-W215 WeakPolarHBondContact O-CB 3.5Å; P211-W215 PolarHBondContact O-N 3.4Å
212	E	94.9	Very high	95.5	Very high	51 Å²	51	54.7 Å²	54.7	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.3	179.2	-56.3	80.3	-179	0	0	112.1	R183 T210 F216 Q218	R183-E212 IonicContact CZ-OE2 3.11Å; R183-E212 VanDerWaalsContact NH1-CD 3.33Å; R183-E212 IonicContact NH1-OE1 3.62Å; R183-E212 PolarHBondContact NH1-OE1 3.44Å; R183-E212 IonicContact NH1-OE2 2.7Å; R183-E212 PolarHBondContact NH1-OE2 3.19Å; R183-E212 IonicContact NH2-OE1 3.46Å; R183-E212 IonicContact NH2-OE2 2.61Å; T210-E212 WeakPolarHBondContact CB-OE2 3.33Å; T210-E212 PolarHBondContact O-N 2.86Å; T210-E212 PolarHBondContact OG1-OE2 2.76Å; E212-F216 WeakPolarHBondContact O-CB 3.33Å; E212-F216 PolarHBondContact O-N 3.02Å; E212-F216 VanDerWaalsContact O-N 3.12Å; E212-Q218 WeakPolarHBondContact O-CB 3.49Å
213	Q	96.7	Very high	95.3	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-41	174.9	-65.3	171.6	-22	0	0	111.5	L209 T210 D217 D220	L209-Q213 HydrophobicContact CB-CB 4.16Å; L209-Q213 HydrophobicContact CD2-CB 4.19Å; T210-Q213 WeakPolarHBondContact O-CB 3.28Å; T210-Q213 PolarHBondContact O-N 3.29Å; T210-Q213 VanDerWaalsContact O-N 3.1Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.37Å; T210-Q213 PolarHBondContact OG1-N 3.29Å; Q213-D217 VanDerWaalsContact O-CA 3.25Å; Q213-D217 WeakPolarHBondContact O-CA 3.47Å; Q213-D217 PolarHBondContact O-N 2.64Å; Q213-D220 PolarHBondContact NE2-OD1 3.12Å
214	L	97.6	Very high	95.1	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-74.8	-44.2	-177.8	-176.5	62.1	0	0	0	112.8	L58 L60 Y96 L175 S177 L209 T210 P211	L58-L214 HydrophobicContact CD1-CD1 4.49Å; L58-L214 HydrophobicContact CD1-CD2 4.1Å; L60-L214 HydrophobicContact CD2-CD2 3.49Å; L60-L214 VanDerWaalsContact CD2-CD2 3.49Å; Y96-L214 HydrophobicContact CD2-CD1 4.49Å; Y96-L214 HydrophobicContact CE2-CD1 3.5Å; Y96-L214 WeakPolarHBondContact OH-CD1 3.31Å; L175-L214 HydrophobicContact CD1-CD1 4.28Å; S177-L214 VanDerWaalsContact CB-CD2 3.43Å; L209-L214 HydrophobicContact CB-CB 4.46Å; L209-L214 HydrophobicContact CD1-CB 4.48Å; L209-L214 HydrophobicContact CD1-CD1 4.08Å; T210-L214 PolarHBondContact O-N 2.98Å; P211-L214 PolarHBondContact O-N 2.7Å
215	W	97.4	Very high	94.9	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-86.3	-24.1	-172.5	-52.2	139.4	0	0	0	114	L60 T65 I66 N88 I89 K92 L93 P211	L60-W215 HydrophobicContact CD1-CH2 4.13Å; L60-W215 HydrophobicContact CD2-CH2 3.74Å; L60-W215 HydrophobicContact CD2-CZ2 4.04Å; T65-W215 HydrophobicContact CG2-CZ2 4.5Å; T65-W215 PolarHBondContact O-NE1 3.36Å; I66-W215 HydrophobicContact CG1-CZ2 4.31Å; N88-W215 WeakPolarHBondContact CB-O 3.44Å; N88-W215 PolarHBondContact ND2-O 3.04Å; I89-W215 HydrophobicContact CG1-CD2 4.02Å; I89-W215 HydrophobicContact CG1-CG 4.12Å; K92-W215 HydrophobicContact CB-CE3 3.8Å; K92-W215 HydrophobicContact CB-CZ3 4.03Å; K92-W215 HydrophobicContact CG-CE3 4.32Å; L93-W215 HydrophobicContact CD2-CH2 3.87Å; L93-W215 HydrophobicContact CD2-CZ3 4.1Å; L93-W215 HydrophobicContact CG-CH2 4.24Å; L93-W215 HydrophobicContact CG-CZ3 4.23Å; P211-W215 WeakPolarHBondContact O-CB 3.5Å; P211-W215 PolarHBondContact O-N 3.4Å
216	F	96	Very high	94.8	Very high	106 Å²	106	69.6 Å²	69.6	47%	0.465	33%	0.33	S	S	.	.	H	α-helix	trans	-122.6	8.9	-176.7	-56.3	-80.1	0	0	0	113.8	N86 N88 E212 Q218	N86-F216 HydrophobicContact CB-CZ 3.74Å; N88-F216 WeakPolarHBondContact ND2-CD1 3.26Å; N88-F216 VanDerWaalsContact ND2-CE1 3.26Å; N88-F216 WeakPolarHBondContact ND2-CE1 3.35Å; E212-F216 WeakPolarHBondContact O-CB 3.33Å; E212-F216 PolarHBondContact O-N 3.02Å; E212-F216 VanDerWaalsContact O-N 3.12Å; F216-Q218 PolarHBondContact O-N 2.98Å; F216-Q218 VanDerWaalsContact O-N 3.07Å
217	D	94.1	Very high	94.6	Very high	105 Å²	105	69.8 Å²	69.8	56%	0.561	33%	0.332	S	S	*	.			trans	51	32	-175.1	-55.5	-50.5	0	0	0	112.4	K92 Q213	K92-D217 WeakPolarHBondContact CE-OD2 3.35Å; K92-D217 IonicContact NZ-OD1 3.36Å; K92-D217 PolarHBondContact NZ-OD1 3.27Å; K92-D217 IonicContact NZ-OD2 2.79Å; K92-D217 PolarHBondContact NZ-OD2 3.02Å; Q213-D217 VanDerWaalsContact O-CA 3.25Å; Q213-D217 WeakPolarHBondContact O-CA 3.47Å; Q213-D217 PolarHBondContact O-N 2.64Å
218	Q	93.5	Very high	94.4	Very high	85 Å²	85	69.4 Å²	69.4	40%	0.397	34%	0.335	S	S	.	.			trans	-65.1	138.4	-178.9	-172.2	178.7	-34.4	0	0	109.9	E212 F216	E212-Q218 WeakPolarHBondContact O-CB 3.49Å; F216-Q218 PolarHBondContact O-N 2.98Å; F216-Q218 VanDerWaalsContact O-N 3.07Å
219	L	92	Very high	94.3	Very high	136 Å²	136	69.4 Å²	69.4	71%	0.712	34%	0.335	S	S	*	.			trans	-62.5	146.6	177	-65	175	0	0	0	111.9	T221	L219-T221 VanDerWaalsContact C-N 3.26Å; L219-T221 HydrophobicContact CB-CG2 3.97Å; L219-T221 PolarHBondContact O-N 3.43Å
220	D	89.4	Confident	94.1	Very high	107 Å²	107	70 Å²	70	57%	0.572	34%	0.338	S	S	*	.	S	Bend	trans	-77.4	74.7	176.7	-168.3	20.4	0	0	0	111.8	Q213	Q213-D220 PolarHBondContact NE2-OD1 3.12Å
221	T	89.2	Confident	94	Very high	107 Å²	107	70 Å²	70	66%	0.656	34%	0.338	S	S	*	.			trans	-116.3	-5.5	179.7	63.3	0	0	0	0	112.9	L219	L219-T221 VanDerWaalsContact C-N 3.26Å; L219-T221 HydrophobicContact CB-CG2 3.97Å; L219-T221 PolarHBondContact O-N 3.43Å
222	E	86.9	Confident	93.8	Very high	40 Å²	40	72.6 Å²	72.6	19%	0.187	35%	0.351	C	S	.	.			trans	-74.4	131.1	-178.3	-72.1	-155.5	118.7	0	0	111.2	R183 R189	R183-E222 WeakPolarHBondContact CD-OE2 3.42Å; R183-E222 IonicContact CZ-OE2 3.92Å; R183-E222 IonicContact NE-OE2 3.64Å; R183-E222 IonicContact NH1-OE2 3.03Å; R183-E222 PolarHBondContact NH1-OE2 3.01Å; R189-E222 IonicContact CZ-OE1 2.71Å; R189-E222 IonicContact NE-OE1 2.77Å; R189-E222 IonicContact NH2-OE1 3.74Å; R189-E222 PolarHBondContact NH2-OE1 3.15Å; R189-E222 IonicContact NH2-OE2 3.54Å
223	K	93.4	Very high	93.8	Very high	176 Å²	176	74.2 Å²	74.2	77%	0.765	36%	0.359	S	S	*	.			trans	-69.6	144.1	172.3	-62.7	-176.4	-178.9	-179.1	0	109.8	P184	P184-K223 WeakPolarHBondContact CD-O 3.43Å; P184-K223 HydrophobicContact CG-CB 4.48Å
224	F	94.6	Very high	93.5	Very high	80 Å²	80	74.3 Å²	74.3	35%	0.351	36%	0.359	S	S	.	.			trans	-135.2	164.3	168.5	59.6	-87.4	0	0	0	110.2	A181 G182 R183 M226	A181-F224 WeakPolarHBondContact O-CB 3.43Å; G182-F224 WeakPolarHBondContact O-CA 3.28Å; R183-F224 HydrophobicContact CG-CB 4.39Å; F224-M226 HydrophobicContact CD2-CG 4.23Å; F224-M226 HydrophobicContact CD2-SD 3.97Å; F224-M226 HydrophobicContact CE2-CG 3.93Å; F224-M226 HydrophobicContact CE2-SD 3.73Å
225	K	93.8	Very high	93.2	Very high	159 Å²	159	77.6 Å²	77.6	69%	0.691	38%	0.377	S	S	*	.			trans	-119	122.5	175.3	-68.7	-173	176.9	-174.1	0	109.6	G182	G182-K225 PolarHBondContact O-N 3.1Å
226	M	94.6	Very high	92.9	Very high	65 Å²	65	81.8 Å²	81.8	32%	0.32	40%	0.403	S	S	.	.			trans	-75.9	154.8	169.9	-64.8	-58.7	-73.5	0	0	110.6	L199 F224 Y407	L199-M226 HydrophobicContact CD2-CE 3.44Å; L199-M226 VanDerWaalsContact CD2-CE 3.44Å; L199-M226 HydrophobicContact CD2-SD 4.31Å; F224-M226 HydrophobicContact CD2-CG 4.23Å; F224-M226 HydrophobicContact CD2-SD 3.97Å; F224-M226 HydrophobicContact CE2-CG 3.93Å; F224-M226 HydrophobicContact CE2-SD 3.73Å; M226-Y407 HydrophobicContact CE-CE2 4.15Å; M226-Y407 WeakPolarHBondContact CE-OH 3.45Å
227	P	94.2	Very high	92.7	Very high	16 Å²	16	79.2 Å²	79.2	10%	0.104	39%	0.393	C	S	.	.			trans	-52.4	145.2	168.3	-25	34.6	0	0	0	110.7	L199 F229 Y407 K411	L199-P227 HydrophobicContact CD1-CG 3.6Å; L199-P227 HydrophobicContact CD2-CG 4.01Å; L199-P227 HydrophobicContact CG-CG 4.42Å; P227-F229 PolarHBondContact O-N 3.34Å; P227-Y407 HydrophobicContact CB-CD1 4.49Å; P227-Y407 HydrophobicContact CB-CE1 4.25Å; P227-Y407 HydrophobicContact CG-CD1 4.07Å; P227-Y407 HydrophobicContact CG-CE1 4.01Å; P227-K411 WeakPolarHBondContact CA-OXT 3.41Å; P227-K411 WeakPolarHBondContact CB-OXT 3.34Å
228	K	93.6	Very high	92.5	Very high	161 Å²	161	79.4 Å²	79.4	70%	0.7	39%	0.394	S	S	*	.	S	Bend	trans	-63.5	-32	-179	-67.1	-173.9	-166.3	157.9	0	113.2	E344	K228-E344 HydrophobicContact CB-CG 4.29Å; K228-E344 HydrophobicContact CD-CG 4.42Å; K228-E344 WeakPolarHBondContact CD-OE1 2.75Å; K228-E344 IonicContact NZ-OE1 3.46Å; K228-E344 PolarHBondContact NZ-OE1 3.19Å
229	F	95.5	Very high	92.3	Very high	26 Å²	26	81.7 Å²	81.7	11%	0.114	41%	0.409	C	S	.	.			trans	-96.1	122.1	176.6	175.9	-109.9	0	0	0	109.2	P227 P231 L234 E344 H345 H348	P227-F229 PolarHBondContact O-N 3.34Å; F229-P231 HydrophobicContact CE1-CB 3.86Å; F229-P231 HydrophobicContact CZ-CB 4.24Å; F229-L234 HydrophobicContact CE2-CD2 4.33Å; F229-L234 HydrophobicContact CE2-CG 4.48Å; F229-L234 HydrophobicContact CZ-CD1 3.97Å; F229-L234 HydrophobicContact CZ-CG 4.3Å; F229-E344 HydrophobicContact CB-CB 3.94Å; F229-H345 HydrophobicContact CD1-CB 4.45Å; F229-H345 HydrophobicContact CD2-CB 3.67Å; F229-H345 AromaticContact CD2-CG 3.76Å; F229-H345 AromaticContact CE1-CD2 3.8Å; F229-H345 HydrophobicContact CE2-CB 3.87Å; F229-H345 AromaticContact CE2-CD2 3.53Å; F229-H345 AromaticContact CE2-CE1 3.67Å; F229-H345 AromaticContact CE2-CG 3.38Å; F229-H345 AromaticContact CE2-ND1 3.51Å; F229-H345 AromaticContact CE2-NE2 3.73Å; F229-H345 HydrophobicContact CG-CB 3.99Å; F229-H345 HydrophobicContact CZ-CB 4.34Å; F229-H345 AromaticContact CZ-CD2 3.29Å; F229-H345 WeakPolarHBondContact CZ-CD2 3.27Å; F229-H345 AromaticContact CZ-CE1 3.9Å; F229-H345 AromaticContact CZ-CG 3.68Å; F229-H345 AromaticContact CZ-NE2 3.47Å; F229-H345 WeakPolarHBondContact CZ-NE2 3.07Å; F229-H348 HydrophobicContact CD1-CB 3.8Å; F229-H348 AromaticContact CD1-CG 3.94Å; F229-H348 HydrophobicContact CE1-CB 3.73Å; F229-H348 AromaticContact CE1-CD2 3.64Å; F229-H348 AromaticContact CE1-CG 3.47Å; F229-H348 VanDerWaalsContact CE1-CG 3.47Å; F229-H348 AromaticContact CE1-ND1 3.8Å
230	N	95.3	Very high	92.1	Very high	32 Å²	32	77.5 Å²	77.5	17%	0.171	39%	0.389	C	S	.	.			trans	-108.8	107.4	175.7	-179.4	0.2	0	0	0	109.3	I232 E233 Y407	N230-I232 PolarHBondContact O-N 3.36Å; N230-I232 WeakPolarHBondContact OD1-CB 3.33Å; N230-I232 PolarHBondContact OD1-N 3.04Å; N230-I232 VanDerWaalsContact OD1-N 3.13Å; N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 HydrophobicContact CB-CG 4.05Å; N230-E233 WeakPolarHBondContact CB-OE1 3.15Å; N230-E233 PolarHBondContact ND2-OE1 2.82Å; N230-E233 WeakPolarHBondContact O-CB 3.31Å; N230-E233 PolarHBondContact O-N 2.5Å; N230-E233 VanDerWaalsContact O-N 3.15Å; N230-Y407 PolarHBondContact OD1-OH 3.41Å
231	P	95.5	Very high	92	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.4	-176.5	26.5	-32.7	0	0	0	113.3	F229 E233 L234 K406 Y407	F229-P231 HydrophobicContact CE1-CB 3.86Å; F229-P231 HydrophobicContact CZ-CB 4.24Å; P231-E233 VanDerWaalsContact C-N 3.33Å; P231-L234 WeakPolarHBondContact O-CB 3.48Å; P231-L234 PolarHBondContact O-N 3.39Å; P231-K406 VanDerWaalsContact CG-C 3.48Å; P231-K406 WeakPolarHBondContact CG-O 3.5Å; P231-Y407 HydrophobicContact CG-CD1 4.22Å; P231-Y407 HydrophobicContact CG-CE1 4.47Å; P231-Y407 HydrophobicContact CG-CG 4.31Å
232	I	92.5	Very high	92	Very high	59 Å²	59	75.7 Å²	75.7	30%	0.303	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-27.8	177.1	-60.5	171.1	0	0	0	111.1	N230 L234 L235 T236 C405	N230-I232 PolarHBondContact O-N 3.36Å; N230-I232 WeakPolarHBondContact OD1-CB 3.33Å; N230-I232 PolarHBondContact OD1-N 3.04Å; N230-I232 VanDerWaalsContact OD1-N 3.13Å; I232-L234 PolarHBondContact O-N 2.99Å; I232-L235 PolarHBondContact O-N 3Å; I232-T236 HydrophobicContact CG2-CG2 3.94Å; I232-T236 PolarHBondContact O-N 3.05Å; I232-T236 PolarHBondContact O-OG1 2.95Å; I232-C405 WeakPolarHBondContact CG1-O 3.46Å
233	E	93.4	Very high	92.2	Very high	86 Å²	86	75.8 Å²	75.8	40%	0.402	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-24.4	177.2	-80.6	169.4	-145.2	0	0	112.3	N230 P231 L235 T236 N237	N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 HydrophobicContact CB-CG 4.05Å; N230-E233 WeakPolarHBondContact CB-OE1 3.15Å; N230-E233 PolarHBondContact ND2-OE1 2.82Å; N230-E233 WeakPolarHBondContact O-CB 3.31Å; N230-E233 PolarHBondContact O-N 2.5Å; N230-E233 VanDerWaalsContact O-N 3.15Å; P231-E233 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 2.79Å; E233-T236 WeakPolarHBondContact CA-OG1 3.29Å; E233-T236 PolarHBondContact O-N 3.2Å; E233-N237 HydrophobicContact CB-CB 4.15Å; E233-N237 WeakPolarHBondContact O-CB 3.05Å; E233-N237 PolarHBondContact O-N 2.85Å
234	L	91.9	Very high	92.2	Very high	11 Å²	11	75.8 Å²	75.8	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-21.4	173.8	-56.9	-178.5	0	0	0	113.4	F229 P231 I232 V240 Q241 F392 L394 Y404	F229-L234 HydrophobicContact CE2-CD2 4.33Å; F229-L234 HydrophobicContact CE2-CG 4.48Å; F229-L234 HydrophobicContact CZ-CD1 3.97Å; F229-L234 HydrophobicContact CZ-CG 4.3Å; P231-L234 WeakPolarHBondContact O-CB 3.48Å; P231-L234 PolarHBondContact O-N 3.39Å; I232-L234 PolarHBondContact O-N 2.99Å; L234-V240 HydrophobicContact CD2-CG1 3.74Å; L234-Q241 WeakPolarHBondContact O-CG 3.44Å; L234-F392 HydrophobicContact CD1-CE1 4.09Å; L234-F392 HydrophobicContact CD2-CD1 4.34Å; L234-F392 HydrophobicContact CD2-CE1 4.46Å; L234-L394 HydrophobicContact CB-CD2 3.86Å; L234-L394 HydrophobicContact CD1-CD1 4.5Å; L234-L394 HydrophobicContact CD1-CD2 4.49Å; L234-Y404 HydrophobicContact CD1-CD1 4.29Å; L234-Y404 HydrophobicContact CD1-CE1 3.53Å
235	L	90.6	Very high	92.2	Very high	71 Å²	71	75.2 Å²	75.2	37%	0.372	38%	0.379	S	S	.	.	H	α-helix	trans	-106.6	-13.3	178.4	-64.5	-178.2	0	0	0	113.9	I232 E233 Q241 L394 C405	I232-L235 PolarHBondContact O-N 3Å; E233-L235 PolarHBondContact O-N 2.79Å; L235-Q241 PolarHBondContact O-NE2 3.22Å; L235-L394 HydrophobicContact CD2-CD2 3.74Å; L235-L394 HydrophobicContact CG-CD2 4.46Å; L235-C405 HydrophobicContact CD1-CB 3.96Å; L235-C405 WeakPolarHBondContact CD1-SG 3.39Å
236	T	91.8	Very high	92.2	Very high	90 Å²	90	69.4 Å²	69.4	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-123.3	-20.1	-169.3	53.2	0	0	0	0	113.5	I232 E233	I232-T236 HydrophobicContact CG2-CG2 3.94Å; I232-T236 PolarHBondContact O-N 3.05Å; I232-T236 PolarHBondContact O-OG1 2.95Å; E233-T236 WeakPolarHBondContact CA-OG1 3.29Å; E233-T236 PolarHBondContact O-N 3.2Å
237	N	91.5	Very high	92.1	Very high	51 Å²	51	73.6 Å²	73.6	27%	0.273	38%	0.38	S	S	.	.			trans	-92.6	111.4	179.1	-172.8	-35.6	0	0	0	110.4	E233 N239 V240 Q241	E233-N237 HydrophobicContact CB-CB 4.15Å; E233-N237 WeakPolarHBondContact O-CB 3.05Å; E233-N237 PolarHBondContact O-N 2.85Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.35Å; N237-N239 WeakPolarHBondContact OD1-CB 3.41Å; N237-N239 PolarHBondContact OD1-N 3.1Å; N237-V240 HydrophobicContact CB-CB 4.16Å; N237-V240 HydrophobicContact CB-CG2 3.94Å; N237-V240 PolarHBondContact O-N 2.7Å; N237-V240 VanDerWaalsContact O-N 3.14Å; N237-V240 PolarHBondContact OD1-N 3.44Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.48Å
238	D	89.8	Confident	92.1	Very high	109 Å²	109	74.2 Å²	74.2	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-60.1	-34.1	-178.4	-70.1	-24.9	0	0	0	113.3	V240 Q241 N242	D238-V240 VanDerWaalsContact C-N 3.33Å; D238-V240 PolarHBondContact O-N 2.94Å; D238-Q241 PolarHBondContact O-N 2.92Å; D238-N242 WeakPolarHBondContact O-CB 3.4Å; D238-N242 PolarHBondContact O-N 2.96Å; D238-N242 PolarHBondContact O-ND2 3.24Å
239	N	89.4	Confident	92.1	Very high	133 Å²	133	72.3 Å²	72.3	71%	0.711	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-40.6	177.8	-67.7	-34.9	0	0	0	111.2	N237 S243	N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.35Å; N237-N239 WeakPolarHBondContact OD1-CB 3.41Å; N237-N239 PolarHBondContact OD1-N 3.1Å; N239-S243 PolarHBondContact O-N 2.93Å; N239-S243 PolarHBondContact O-OG 3.05Å
240	V	87	Confident	92	Very high	48 Å²	48	78.7 Å²	78.7	29%	0.291	40%	0.403	S	S	.	.	H	α-helix	trans	-68.4	-45.4	176.4	179.1	0	0	0	0	110.3	L234 N237 D238 N242 S243	L234-V240 HydrophobicContact CD2-CG1 3.74Å; N237-V240 HydrophobicContact CB-CB 4.16Å; N237-V240 HydrophobicContact CB-CG2 3.94Å; N237-V240 PolarHBondContact O-N 2.7Å; N237-V240 VanDerWaalsContact O-N 3.14Å; N237-V240 PolarHBondContact OD1-N 3.44Å; D238-V240 VanDerWaalsContact C-N 3.33Å; D238-V240 PolarHBondContact O-N 2.94Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 3.24Å; V240-S243 VanDerWaalsContact O-CB 3.28Å; V240-S243 WeakPolarHBondContact O-CB 3.23Å; V240-S243 PolarHBondContact O-N 2.61Å; V240-S243 PolarHBondContact O-OG 3.39Å
241	Q	88.1	Confident	91.8	Very high	61 Å²	61	78.2 Å²	78.2	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-179.2	-71.9	-170.5	75.8	0	0	113.8	L234 L235 N237 D238 S243	L234-Q241 WeakPolarHBondContact O-CG 3.44Å; L235-Q241 PolarHBondContact O-NE2 3.22Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.48Å; D238-Q241 PolarHBondContact O-N 2.92Å; Q241-S243 VanDerWaalsContact C-N 3.27Å
242	N	89.6	Confident	91.5	Very high	115 Å²	115	86 Å²	86	62%	0.615	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	4.1	180	-66.9	-41.7	0	0	0	113.1	D238 V240 K244	D238-N242 WeakPolarHBondContact O-CB 3.4Å; D238-N242 PolarHBondContact O-N 2.96Å; D238-N242 PolarHBondContact O-ND2 3.24Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 3.24Å; N242-K244 PolarHBondContact O-N 2.6Å
243	S	91.1	Very high	91.3	Very high	42 Å²	42	91.5 Å²	91.5	29%	0.294	47%	0.465	S	S	.	.			trans	-62.7	133.4	174.7	-69	0	0	0	0	110.2	N239 V240 Q241	N239-S243 PolarHBondContact O-N 2.93Å; N239-S243 PolarHBondContact O-OG 3.05Å; V240-S243 VanDerWaalsContact O-CB 3.28Å; V240-S243 WeakPolarHBondContact O-CB 3.23Å; V240-S243 PolarHBondContact O-N 2.61Å; V240-S243 PolarHBondContact O-OG 3.39Å; Q241-S243 VanDerWaalsContact C-N 3.27Å
244	K	93	Very high	91.3	Very high	177 Å²	177	88.2 Å²	88.2	77%	0.77	45%	0.451	S	S	*	.			trans	-118.5	144.8	-179.7	-64.4	-175.8	-176.9	179.1	0	109.8	N242 P391	N242-K244 PolarHBondContact O-N 2.6Å; K244-P391 WeakPolarHBondContact O-CG 3.13Å
245	L	93.5	Very high	91.5	Very high	67 Å²	67	88.5 Å²	88.5	35%	0.351	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.6	145.8	171	-68.4	178	0	0	0	109.5	F270 V274 I390 P391 I393	L245-F270 HydrophobicContact CD1-CE2 4.3Å; L245-F270 HydrophobicContact CD2-CD2 4.33Å; L245-F270 HydrophobicContact CD2-CE2 4.07Å; L245-V274 HydrophobicContact CD1-CG2 4.05Å; L245-I390 HydrophobicContact CD2-CG2 4.12Å; L245-P391 HydrophobicContact CD2-CG 4.48Å; L245-I393 HydrophobicContact CB-CD1 4.47Å; L245-I393 HydrophobicContact CD2-CD1 3.84Å; L245-I393 HydrophobicContact CD2-CG1 4.25Å; L245-I393 HydrophobicContact CG-CD1 3.6Å; L245-I393 HydrophobicContact CG-CG1 4.5Å
246	P	93.9	Very high	91.9	Very high	38 Å²	38	85.1 Å²	85.1	25%	0.247	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-59.7	146.7	168.4	26.5	-33.2	0	0	0	110	I248 I388 I390	P246-I248 HydrophobicContact CG-CD1 4.26Å; P246-I248 HydrophobicContact CG-CG1 4.49Å; P246-I248 PolarHBondContact O-N 3.46Å; P246-I388 HydrophobicContact CB-CG2 3.9Å; P246-I388 HydrophobicContact CG-CG2 3.7Å; P246-I390 HydrophobicContact CG-CD1 3.64Å
247	I	93.3	Very high	92.2	Very high	153 Å²	153	80.8 Å²	80.8	79%	0.785	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-71	117.2	175.6	-59.9	174.4	0	0	0	107.8
248	I	93.9	Very high	92.6	Very high	28 Å²	28	78.4 Å²	78.4	14%	0.144	40%	0.395	C	S	.	.			trans	-119.3	121.1	178.4	-59.7	154.9	0	0	0	107.7	P246 F270 V274 L275 L278 F337	P246-I248 HydrophobicContact CG-CD1 4.26Å; P246-I248 HydrophobicContact CG-CG1 4.49Å; P246-I248 PolarHBondContact O-N 3.46Å; I248-F270 HydrophobicContact CD1-CE1 4.44Å; I248-F270 HydrophobicContact CD1-CE2 4.28Å; I248-F270 HydrophobicContact CD1-CZ 3.52Å; I248-V274 HydrophobicContact CD1-CG1 4.22Å; I248-L275 HydrophobicContact CD1-CD2 4.37Å; I248-L275 HydrophobicContact CG2-CD2 3.97Å; I248-L278 HydrophobicContact CB-CD1 4.19Å; I248-L278 HydrophobicContact CG2-CD1 3.75Å; I248-L278 WeakPolarHBondContact O-CD1 3.44Å; I248-F337 HydrophobicContact CD1-CE2 3.62Å; I248-F337 HydrophobicContact CD1-CZ 4.15Å; I248-F337 HydrophobicContact CG1-CE2 4.19Å; I248-F337 HydrophobicContact CG1-CZ 4.22Å
249	N	92.9	Very high	93	Very high	121 Å²	121	73.2 Å²	73.2	65%	0.647	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-95.4	155.3	-179.4	-64	-43.9	0	0	0	110.7
250	R	93.3	Very high	93.4	Very high	161 Å²	161	66.9 Å²	66.9	61%	0.608	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-56.9	128.7	167.3	170.9	170.4	-72.3	168.8	1.3	108.5	P277 L278	R250-P277 PolarHBondContact NH2-O 3.16Å; R250-L278 HydrophobicContact CB-CD2 4.29Å; R250-L278 VanDerWaalsContact CG-O 3.29Å; R250-L278 WeakPolarHBondContact CG-O 3.15Å; R250-L278 PolarHBondContact NE-O 3.09Å
251	P	91.9	Very high	93.9	Very high	22 Å²	22	64.9 Å²	64.9	14%	0.143	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-73.4	142	-178.5	30.9	-36	0	0	0	110.1	E255 Y280 P307	P251-E255 HydrophobicContact CB-CG 4Å; P251-Y280 HydrophobicContact CG-CE1 4.3Å; P251-Y280 HydrophobicContact CG-CE2 3.85Å; P251-P307 HydrophobicContact CB-CB 4.3Å; P251-P307 HydrophobicContact CG-CB 3.37Å; P251-P307 HydrophobicContact CG-CG 3.57Å
252	N	88.2	Confident	94.3	Very high	163 Å²	163	63.6 Å²	63.6	87%	0.872	32%	0.315	S	S	*	.	S	Bend	trans	-92	-7.2	178.1	-65.2	-20	0	0	0	112.7
253	K	88.8	Confident	94.6	Very high	175 Å²	175	58.9 Å²	58.9	76%	0.761	29%	0.291	S	S	*	.	S	Bend	trans	-141.5	162.9	179.3	-63.9	-174	-179.3	-177.1	0	108.8	E255	K253-E255 PolarHBondContact O-N 3.43Å
254	S	93.9	Very high	94.7	Very high	16 Å²	16	57.3 Å²	57.3	11%	0.112	28%	0.281	C	S	.	.			trans	-59	130.5	170.1	-173.1	0	0	0	0	109.9	L306	S254-L306 PolarHBondContact OG-O 3.27Å
255	E	97	Very high	94.9	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.079	24%	0.244	C	C	.	.			trans	-146.7	160	175	71.1	173.8	-135.4	0	0	110.2	P251 K253 Y280 P307 V308 P333 K335	P251-E255 HydrophobicContact CB-CG 4Å; K253-E255 PolarHBondContact O-N 3.43Å; E255-Y280 HydrophobicContact CG-CE1 4.03Å; E255-Y280 PolarHBondContact OE1-OH 2.93Å; E255-P307 WeakPolarHBondContact O-CA 3.32Å; E255-V308 PolarHBondContact O-N 3.19Å; E255-P333 WeakPolarHBondContact CA-O 3.29Å; E255-P333 HydrophobicContact CB-CG 3.74Å; E255-K335 IonicContact OE1-NZ 3.44Å; E255-K335 PolarHBondContact OE1-NZ 3.32Å; E255-K335 IonicContact OE2-NZ 3.85Å; E255-K335 PolarHBondContact OE2-NZ 2.6Å
256	L	98.1	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.1	-178.8	-179.3	61.5	0	0	0	111.1	L258 V298 V308 V310 A327 I332 P333 V334 K335	L256-L258 HydrophobicContact CD1-CD2 4.29Å; L256-L258 HydrophobicContact CD2-CD2 4.22Å; L256-L258 HydrophobicContact CG-CD2 4.06Å; L256-V298 HydrophobicContact CD1-CG1 4.01Å; L256-V298 HydrophobicContact CD2-CG1 4.42Å; L256-V308 CarbonylContact C-O 3.5Å; L256-V308 WeakPolarHBondContact CA-O 3.47Å; L256-V308 HydrophobicContact CD1-CB 3.95Å; L256-V308 HydrophobicContact CD1-CG1 3.94Å; L256-V310 HydrophobicContact CD1-CG2 3.92Å; L256-A327 HydrophobicContact CD2-CB 4.07Å; L256-I332 HydrophobicContact CB-CD1 4.09Å; L256-P333 PolarHBondContact N-O 3.33Å; L256-V334 HydrophobicContact CB-CB 4.4Å; L256-V334 HydrophobicContact CB-CG2 4.2Å; L256-V334 HydrophobicContact CD2-CG2 4.11Å; L256-V334 HydrophobicContact CG-CG2 4.13Å; L256-V334 CarbonylContact O-C 3.48Å; L256-V334 VanDerWaalsContact O-CA 3.24Å; L256-V334 WeakPolarHBondContact O-CA 3.34Å; L256-K335 PolarHBondContact O-N 2.83Å
257	I	98.3	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.5	171.3	-62.6	177.2	0	0	0	109.5	M259 L275 Y280 V308 V309 V310 K335 F337	I257-M259 HydrophobicContact CG2-SD 4.12Å; I257-L275 HydrophobicContact CD1-CD1 4.2Å; I257-L275 HydrophobicContact CD1-CD2 4.13Å; I257-Y280 HydrophobicContact CD1-CD1 4.1Å; I257-Y280 HydrophobicContact CD1-CE1 3.38Å; I257-Y280 HydrophobicContact CD1-CE2 4.46Å; I257-Y280 HydrophobicContact CG1-CE1 3.86Å; I257-V308 PolarHBondContact N-O 3.07Å; I257-V309 HydrophobicContact CB-CB 4.12Å; I257-V309 HydrophobicContact CB-CG2 3.96Å; I257-V309 HydrophobicContact CG2-CG2 3.89Å; I257-V309 CarbonylContact O-C 3.54Å; I257-V309 WeakPolarHBondContact O-CA 3.28Å; I257-V310 PolarHBondContact O-N 3.14Å; I257-K335 WeakPolarHBondContact CA-O 3.29Å; I257-K335 HydrophobicContact CG1-CB 4.33Å; I257-F337 HydrophobicContact CD1-CE1 4.26Å; I257-F337 HydrophobicContact CD1-CE2 3.93Å; I257-F337 HydrophobicContact CD1-CZ 3.77Å; I257-F337 HydrophobicContact CG2-CB 4.07Å; I257-F337 HydrophobicContact CG2-CD1 3.94Å; I257-F337 HydrophobicContact CG2-CD2 3.9Å; I257-F337 HydrophobicContact CG2-CE1 4.33Å; I257-F337 HydrophobicContact CG2-CE2 4.31Å; I257-F337 HydrophobicContact CG2-CG 3.7Å
258	L	98.6	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115	168.3	-55.3	-170.9	0	0	0	109.8	L256 V310 R320 Y323 I324 V334 K335 C336 F337 Y384	L256-L258 HydrophobicContact CD1-CD2 4.29Å; L256-L258 HydrophobicContact CD2-CD2 4.22Å; L256-L258 HydrophobicContact CG-CD2 4.06Å; L258-V310 HydrophobicContact CD2-CB 3.77Å; L258-V310 HydrophobicContact CD2-CG2 3.75Å; L258-R320 HydrophobicContact CD1-CB 4.2Å; L258-R320 HydrophobicContact CD1-CG 4.45Å; L258-Y323 HydrophobicContact CD1-CD2 4.36Å; L258-Y323 HydrophobicContact CD2-CD2 3.99Å; L258-Y323 HydrophobicContact CD2-CG 3.87Å; L258-I324 HydrophobicContact CD1-CG1 4.22Å; L258-V334 HydrophobicContact CD1-CG2 4.42Å; L258-V334 HydrophobicContact CG-CG2 4.18Å; L258-K335 PolarHBondContact N-O 2.79Å; L258-C336 WeakPolarHBondContact O-CA 3.07Å; L258-F337 PolarHBondContact O-N 3.44Å; L258-Y384 HydrophobicContact CD1-CE1 4.03Å; L258-Y384 HydrophobicContact CG-CE1 4.49Å
259	M	98.5	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.2	170.5	-59	-60.2	-60.5	0	0	109.9	I257 K267 F270 C271 L275 V309 V310 N312 N314 F337 M339	I257-M259 HydrophobicContact CG2-SD 4.12Å; M259-K267 HydrophobicContact CB-CD 3.83Å; M259-K267 HydrophobicContact CB-CG 4.26Å; M259-K267 HydrophobicContact CE-CB 4.36Å; M259-K267 HydrophobicContact CE-CG 4.18Å; M259-F270 HydrophobicContact CE-CD1 3.71Å; M259-F270 HydrophobicContact CE-CE1 4.14Å; M259-F270 HydrophobicContact SD-CD1 4.29Å; M259-F270 HydrophobicContact SD-CE1 4.39Å; M259-C271 VanDerWaalsContact CG-SG 3.56Å; M259-L275 HydrophobicContact SD-CD1 4.31Å; M259-V309 HydrophobicContact CG-CG2 3.66Å; M259-V309 HydrophobicContact SD-CG2 4.06Å; M259-V310 PolarHBondContact N-O 3.44Å; M259-V310 VanDerWaalsContact N-O 3.17Å; M259-N312 VanDerWaalsContact O-O 3.11Å; M259-N314 WeakPolarHBondContact O-CB 3.47Å; M259-N314 PolarHBondContact O-ND2 2.73Å; M259-F337 CarbonylContact C-O 3.54Å; M259-F337 WeakPolarHBondContact CA-O 3.1Å; M259-F337 HydrophobicContact CE-CB 4.01Å; M259-F337 HydrophobicContact SD-CB 3.59Å; M259-F337 VanDerWaalsContact SD-CB 3.59Å; M259-F337 HydrophobicContact SD-CD2 4.1Å; M259-F337 HydrophobicContact SD-CG 4.28Å; M259-M339 HydrophobicContact CE-CG 4.45Å; M259-M339 HydrophobicContact CE-SD 3.68Å
260	V	98.3	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.3	175.4	177.4	0	0	0	0	109	T313 N314 C336 F337 I338 M339 Y375 P378	V260-T313 WeakPolarHBondContact CA-O 3.32Å; V260-N314 HydrophobicContact CG2-CB 4.04Å; V260-C336 VanDerWaalsContact CG2-SG 3.5Å; V260-F337 PolarHBondContact N-O 2.9Å; V260-I338 HydrophobicContact CB-CG1 4.33Å; V260-M339 PolarHBondContact O-N 2.8Å; V260-Y375 HydrophobicContact CG1-CE2 3.94Å; V260-P378 HydrophobicContact CB-CG 4.46Å; V260-P378 HydrophobicContact CG1-CG 4.21Å; V260-P378 HydrophobicContact CG2-CG 4.03Å
261	G	97.6	Very high	95.6	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	16%	0.161	C	C	.	.			trans	158.2	164.3	175.4	0	0	0	0	0	114.4	K267 T313	G261-K267 WeakPolarHBondContact O-CE 2.97Å; G261-K267 PolarHBondContact O-NZ 3.2Å; G261-T313 PolarHBondContact N-O 2.69Å; G261-T313 VanDerWaalsContact N-O 3.08Å; G261-T313 WeakPolarHBondContact O-CA 3.43Å; G261-T313 WeakPolarHBondContact O-CB 3.43Å
262	Y	97	Very high	95.8	Very high	34 Å²	34	34.8 Å²	34.8	13%	0.133	18%	0.178	C	C	.	.			trans	-58.5	152.7	-177.9	-67.5	-73.3	0	0	0	113.4	S265 K267 M315 M343 Y368 M371 K372	Y262-S265 WeakPolarHBondContact O-CB 3.38Å; Y262-S265 PolarHBondContact O-N 3.24Å; Y262-S265 VanDerWaalsContact O-N 3.14Å; Y262-S265 PolarHBondContact O-OG 3Å; Y262-K267 PolarHBondContact O-NZ 3.34Å; Y262-M315 HydrophobicContact CD1-CE 4Å; Y262-M315 HydrophobicContact CE1-CE 3.72Å; Y262-M343 HydrophobicContact CD1-CG 4.33Å; Y262-M343 HydrophobicContact CD2-CB 4.16Å; Y262-M343 HydrophobicContact CE1-CB 4.15Å; Y262-M343 HydrophobicContact CE1-CG 4.06Å; Y262-M343 HydrophobicContact CE2-CB 3.75Å; Y262-Y368 HydrophobicContact CD1-CD1 4.21Å; Y262-M371 HydrophobicContact CD1-CB 4.29Å; Y262-M371 HydrophobicContact CE1-CB 4.27Å; Y262-K372 HydrophobicContact CE1-CB 4.32Å
263	P	94.7	Very high	96.1	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.104	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	148.9	165.3	-20.8	32.2	0	0	0	110	S265 T313 A346 I363 V367 Y368 M371	P263-S265 PolarHBondContact O-N 2.83Å; P263-T313 HydrophobicContact CG-CG2 3.96Å; P263-A346 WeakPolarHBondContact O-CB 3.47Å; P263-I363 HydrophobicContact CB-CD1 3.51Å; P263-I363 HydrophobicContact CB-CG2 4.5Å; P263-V367 HydrophobicContact CG-CG1 4.39Å; P263-Y368 PolarHBondContact O-OH 3.45Å; P263-M371 WeakPolarHBondContact CD-SD 3.27Å; P263-M371 HydrophobicContact CG-CE 3.68Å; P263-M371 HydrophobicContact CG-SD 3.36Å; P263-M371 WeakPolarHBondContact CG-SD 3.24Å
264	A	95.1	Very high	96.5	Very high	10 Å²	10	28.2 Å²	28.2	8%	0.083	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	11.4	-174.7	0	0	0	0	0	116.2	G266 A346 N349 E350	A264-G266 PolarHBondContact O-N 2.78Å; A264-A346 WeakPolarHBondContact CB-O 3.3Å; A264-N349 HydrophobicContact CB-CB 4.14Å; A264-N349 WeakPolarHBondContact O-CB 3.34Å; A264-N349 PolarHBondContact O-ND2 3.28Å; A264-E350 HydrophobicContact CB-CB 3.8Å
265	S	96.6	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-71.8	-5	174.2	70.1	0	0	0	0	114.7	Y262 P263 K267 M339 T341	Y262-S265 WeakPolarHBondContact O-CB 3.38Å; Y262-S265 PolarHBondContact O-N 3.24Å; Y262-S265 VanDerWaalsContact O-N 3.14Å; Y262-S265 PolarHBondContact O-OG 3Å; P263-S265 PolarHBondContact O-N 2.83Å; S265-K267 WeakPolarHBondContact OG-CG 3.48Å; S265-K267 PolarHBondContact OG-NZ 3.11Å; S265-M339 WeakPolarHBondContact O-CE 3.24Å; S265-T341 PolarHBondContact O-OG1 3.17Å
266	G	94.9	Very high	96.6	Very high	16 Å²	16	28.5 Å²	28.5	17%	0.165	15%	0.146	C	C	.	.	S	Bend	trans	95.4	2.3	-177.6	0	0	0	0	0	115.7	A264 S268 Y269 F270	A264-G266 PolarHBondContact O-N 2.78Å; G266-S268 PolarHBondContact O-N 3.27Å; G266-Y269 WeakPolarHBondContact O-CB 3.13Å; G266-Y269 PolarHBondContact O-N 2.94Å; G266-Y269 VanDerWaalsContact O-N 3.09Å; G266-F270 PolarHBondContact O-N 3.09Å
267	K	96.9	Very high	96.6	Very high	12 Å²	12	32.3 Å²	32.3	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-48.7	-56.4	178.5	-67.7	-179.9	-53.7	-67.6	0	113.2	M259 G261 Y262 S265 Y269 F270 C271 D311 N312 M339	M259-K267 HydrophobicContact CB-CD 3.83Å; M259-K267 HydrophobicContact CB-CG 4.26Å; M259-K267 HydrophobicContact CE-CB 4.36Å; M259-K267 HydrophobicContact CE-CG 4.18Å; G261-K267 WeakPolarHBondContact O-CE 2.97Å; G261-K267 PolarHBondContact O-NZ 3.2Å; Y262-K267 PolarHBondContact O-NZ 3.34Å; S265-K267 WeakPolarHBondContact OG-CG 3.48Å; S265-K267 PolarHBondContact OG-NZ 3.11Å; K267-Y269 PolarHBondContact O-N 2.79Å; K267-F270 CarbonylContact O-C 3.58Å; K267-F270 WeakPolarHBondContact O-CA 3.41Å; K267-F270 WeakPolarHBondContact O-CB 3.47Å; K267-F270 PolarHBondContact O-N 3.28Å; K267-C271 PolarHBondContact O-N 2.89Å; K267-C271 PolarHBondContact O-SG 3.05Å; K267-D311 WeakPolarHBondContact CB-OD1 3.4Å; K267-N312 VanDerWaalsContact CE-O 3.27Å; K267-N312 WeakPolarHBondContact CE-O 3.33Å; K267-M339 HydrophobicContact CD-CG 4.17Å; K267-M339 HydrophobicContact CG-CG 3.34Å; K267-M339 HydrophobicContact CG-SD 3.94Å
268	S	95.3	Very high	96.5	Very high	42 Å²	42	34.1 Å²	34.1	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-61	-34.9	-178.5	-43.1	0	0	0	0	112.9	G266 N272 D311	G266-S268 PolarHBondContact O-N 3.27Å; S268-N272 WeakPolarHBondContact O-CB 3.33Å; S268-N272 VanDerWaalsContact O-CG 3.25Å; S268-N272 PolarHBondContact O-N 3.39Å; S268-N272 PolarHBondContact O-ND2 2.86Å; S268-N272 VanDerWaalsContact O-ND2 3.09Å; S268-D311 WeakPolarHBondContact CA-OD2 3.22Å; S268-D311 WeakPolarHBondContact CB-OD2 3.36Å; S268-D311 PolarHBondContact OG-OD2 2.77Å
269	Y	94	Very high	96.4	Very high	119 Å²	119	36 Å²	36	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-47.2	174.3	-176.9	-87	0	0	0	110.4	G266 K267 N272 R273	G266-Y269 WeakPolarHBondContact O-CB 3.13Å; G266-Y269 PolarHBondContact O-N 2.94Å; G266-Y269 VanDerWaalsContact O-N 3.09Å; K267-Y269 PolarHBondContact O-N 2.79Å; Y269-N272 PolarHBondContact O-N 3.04Å; Y269-R273 HydrophobicContact CD1-CG 4.07Å; Y269-R273 HydrophobicContact CD2-CG 4.24Å; Y269-R273 HydrophobicContact CE1-CB 4.29Å; Y269-R273 HydrophobicContact CE1-CG 3.79Å; Y269-R273 HydrophobicContact CE2-CG 4.01Å; Y269-R273 HydrophobicContact CG-CG 4.28Å; Y269-R273 VanDerWaalsContact O-CB 3.23Å; Y269-R273 WeakPolarHBondContact O-CB 3.24Å; Y269-R273 WeakPolarHBondContact O-CG 3.23Å; Y269-R273 PolarHBondContact O-N 2.98Å
270	F	96.7	Very high	96.3	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-48	176.1	175.9	-93	0	0	0	112.3	L245 I248 M259 G266 K267 N272 R273 V274 L275 F337 I390	L245-F270 HydrophobicContact CD1-CE2 4.3Å; L245-F270 HydrophobicContact CD2-CD2 4.33Å; L245-F270 HydrophobicContact CD2-CE2 4.07Å; I248-F270 HydrophobicContact CD1-CE1 4.44Å; I248-F270 HydrophobicContact CD1-CE2 4.28Å; I248-F270 HydrophobicContact CD1-CZ 3.52Å; M259-F270 HydrophobicContact CE-CD1 3.71Å; M259-F270 HydrophobicContact CE-CE1 4.14Å; M259-F270 HydrophobicContact SD-CD1 4.29Å; M259-F270 HydrophobicContact SD-CE1 4.39Å; G266-F270 PolarHBondContact O-N 3.09Å; K267-F270 CarbonylContact O-C 3.58Å; K267-F270 WeakPolarHBondContact O-CA 3.41Å; K267-F270 WeakPolarHBondContact O-CB 3.47Å; K267-F270 PolarHBondContact O-N 3.28Å; F270-N272 PolarHBondContact O-N 3.43Å; F270-R273 PolarHBondContact O-N 3.36Å; F270-V274 HydrophobicContact CD2-CB 4.21Å; F270-V274 HydrophobicContact CD2-CG2 3.76Å; F270-V274 HydrophobicContact CE2-CB 4.01Å; F270-V274 HydrophobicContact CE2-CG1 4.12Å; F270-V274 HydrophobicContact CE2-CG2 3.82Å; F270-V274 HydrophobicContact CG-CG2 4.47Å; F270-V274 HydrophobicContact CZ-CB 4.27Å; F270-V274 HydrophobicContact CZ-CG1 4.2Å; F270-V274 VanDerWaalsContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CB 3.34Å; F270-V274 PolarHBondContact O-N 3Å; F270-L275 HydrophobicContact CD1-CD1 4.31Å; F270-L275 HydrophobicContact CD1-CG 4.4Å; F270-L275 HydrophobicContact CE1-CD1 3.88Å; F270-L275 HydrophobicContact CE1-CD2 4.24Å; F270-L275 HydrophobicContact CE1-CG 3.88Å; F270-F337 AromaticContact CE1-CD2 3.8Å; F270-F337 HydrophobicContact CE1-CD2 3.8Å; F270-F337 HydrophobicContact CE1-CE2 4.15Å; F270-F337 HydrophobicContact CZ-CD2 4.18Å; F270-F337 HydrophobicContact CZ-CE2 4.26Å; F270-I390 HydrophobicContact CD2-CG2 3.73Å; F270-I390 HydrophobicContact CE1-CD1 4.35Å; F270-I390 HydrophobicContact CE1-CG1 4.43Å; F270-I390 HydrophobicContact CE2-CD1 4.3Å; F270-I390 HydrophobicContact CE2-CG2 3.69Å; F270-I390 HydrophobicContact CG-CG2 4.21Å; F270-I390 HydrophobicContact CZ-CD1 3.81Å; F270-I390 HydrophobicContact CZ-CG1 4.25Å; F270-I390 HydrophobicContact CZ-CG2 4.14Å
271	C	97.4	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-56.7	-48.6	177	-66.8	0	0	0	0	111.4	M259 K267 L275 A276 V282 V309	M259-C271 VanDerWaalsContact CG-SG 3.56Å; K267-C271 PolarHBondContact O-N 2.89Å; K267-C271 PolarHBondContact O-SG 3.05Å; C271-L275 CarbonylContact O-C 3.57Å; C271-L275 WeakPolarHBondContact O-CA 3.49Å; C271-L275 WeakPolarHBondContact O-CB 3.48Å; C271-L275 PolarHBondContact O-N 3Å; C271-L275 VanDerWaalsContact O-N 3.08Å; C271-A276 PolarHBondContact O-N 2.92Å; C271-V282 HydrophobicContact CB-CG1 3.98Å; C271-V282 HydrophobicContact CB-CG2 4.22Å; C271-V309 HydrophobicContact CB-CG1 4.45Å
272	N	96.1	Very high	96.2	Very high	93 Å²	93	41.9 Å²	41.9	50%	0.497	23%	0.227	S	C	.	.	I	π-helix	trans	-73.7	-29.8	-176.8	-69.8	-29.5	0	0	0	113.7	S268 Y269 F270 P277	S268-N272 WeakPolarHBondContact O-CB 3.33Å; S268-N272 VanDerWaalsContact O-CG 3.25Å; S268-N272 PolarHBondContact O-N 3.39Å; S268-N272 PolarHBondContact O-ND2 2.86Å; S268-N272 VanDerWaalsContact O-ND2 3.09Å; Y269-N272 PolarHBondContact O-N 3.04Å; F270-N272 PolarHBondContact O-N 3.43Å; N272-P277 WeakPolarHBondContact O-CD 3.32Å
273	R	94.6	Very high	96.3	Very high	164 Å²	164	40.6 Å²	40.6	62%	0.619	22%	0.222	S	C	*	.	I	π-helix	trans	-93.9	-25.2	-175.6	-65.9	-72.7	-70.8	-167.7	-3.4	113.7	Y269 F270	Y269-R273 HydrophobicContact CD1-CG 4.07Å; Y269-R273 HydrophobicContact CD2-CG 4.24Å; Y269-R273 HydrophobicContact CE1-CB 4.29Å; Y269-R273 HydrophobicContact CE1-CG 3.79Å; Y269-R273 HydrophobicContact CE2-CG 4.01Å; Y269-R273 HydrophobicContact CG-CG 4.28Å; Y269-R273 VanDerWaalsContact O-CB 3.23Å; Y269-R273 WeakPolarHBondContact O-CB 3.24Å; Y269-R273 WeakPolarHBondContact O-CG 3.23Å; Y269-R273 PolarHBondContact O-N 2.98Å; F270-R273 PolarHBondContact O-N 3.36Å
274	V	96.3	Very high	96.3	Very high	37 Å²	37	40 Å²	40	22%	0.224	22%	0.218	C	C	.	.	I	π-helix	trans	-114.4	-54.2	-176	-173.9	0	0	0	0	110.8	L245 I248 F270 L278	L245-V274 HydrophobicContact CD1-CG2 4.05Å; I248-V274 HydrophobicContact CD1-CG1 4.22Å; F270-V274 HydrophobicContact CD2-CB 4.21Å; F270-V274 HydrophobicContact CD2-CG2 3.76Å; F270-V274 HydrophobicContact CE2-CB 4.01Å; F270-V274 HydrophobicContact CE2-CG1 4.12Å; F270-V274 HydrophobicContact CE2-CG2 3.82Å; F270-V274 HydrophobicContact CG-CG2 4.47Å; F270-V274 HydrophobicContact CZ-CB 4.27Å; F270-V274 HydrophobicContact CZ-CG1 4.2Å; F270-V274 VanDerWaalsContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CB 3.34Å; F270-V274 PolarHBondContact O-N 3Å; V274-L278 WeakPolarHBondContact O-CD1 3.32Å; V274-L278 VanDerWaalsContact O-CG 3.27Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å
275	L	97.4	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-80.1	-46	-171.7	-58.8	-179.9	0	0	0	112.9	I248 I257 M259 F270 C271 L278 G279 Y280 V309 F337	I248-L275 HydrophobicContact CD1-CD2 4.37Å; I248-L275 HydrophobicContact CG2-CD2 3.97Å; I257-L275 HydrophobicContact CD1-CD1 4.2Å; I257-L275 HydrophobicContact CD1-CD2 4.13Å; M259-L275 HydrophobicContact SD-CD1 4.31Å; F270-L275 HydrophobicContact CD1-CD1 4.31Å; F270-L275 HydrophobicContact CD1-CG 4.4Å; F270-L275 HydrophobicContact CE1-CD1 3.88Å; F270-L275 HydrophobicContact CE1-CD2 4.24Å; F270-L275 HydrophobicContact CE1-CG 3.88Å; C271-L275 CarbonylContact O-C 3.57Å; C271-L275 WeakPolarHBondContact O-CA 3.49Å; C271-L275 WeakPolarHBondContact O-CB 3.48Å; C271-L275 PolarHBondContact O-N 3Å; C271-L275 VanDerWaalsContact O-N 3.08Å; L275-L278 WeakPolarHBondContact O-CA 3.32Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.16Å; L275-G279 PolarHBondContact O-N 3.19Å; L275-Y280 HydrophobicContact CB-CD2 4Å; L275-Y280 HydrophobicContact CB-CG 4.11Å; L275-Y280 HydrophobicContact CD2-CD2 4.33Å; L275-Y280 HydrophobicContact CD2-CE2 4.25Å; L275-Y280 VanDerWaalsContact O-CD2 3.29Å; L275-Y280 WeakPolarHBondContact O-CD2 3.48Å; L275-Y280 PolarHBondContact O-N 3.36Å; L275-V309 HydrophobicContact CB-CG1 4.41Å; L275-V309 HydrophobicContact CD1-CB 3.96Å; L275-V309 HydrophobicContact CD1-CG1 4.11Å; L275-V309 HydrophobicContact CD1-CG2 3.68Å; L275-F337 HydrophobicContact CD2-CE2 4.15Å
276	A	97.1	Very high	95.5	Very high	38 Å²	38	52.9 Å²	52.9	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-43.3	-179.7	0	0	0	0	0	112.9	C271 L278 G279 V282	C271-A276 PolarHBondContact O-N 2.92Å; A276-L278 PolarHBondContact O-N 2.9Å; A276-G279 WeakPolarHBondContact O-CA 3.46Å; A276-G279 PolarHBondContact O-N 3.42Å; A276-V282 HydrophobicContact CB-CG2 3.95Å
277	P	97.2	Very high	94.9	Very high	80 Å²	80	57.7 Å²	57.7	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-27.2	173.8	-25.7	37.2	0	0	0	114.4	R250 N272 G279	R250-P277 PolarHBondContact NH2-O 3.16Å; N272-P277 WeakPolarHBondContact O-CD 3.32Å; P277-G279 PolarHBondContact O-N 2.78Å
278	L	96.7	Very high	94.5	Very high	38 Å²	38	59.1 Å²	59.1	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-75.6	-9.3	173.3	-65.7	175	0	0	0	112.6	I248 R250 V274 L275 A276 Y280	I248-L278 HydrophobicContact CB-CD1 4.19Å; I248-L278 HydrophobicContact CG2-CD1 3.75Å; I248-L278 WeakPolarHBondContact O-CD1 3.44Å; R250-L278 HydrophobicContact CB-CD2 4.29Å; R250-L278 VanDerWaalsContact CG-O 3.29Å; R250-L278 WeakPolarHBondContact CG-O 3.15Å; R250-L278 PolarHBondContact NE-O 3.09Å; V274-L278 WeakPolarHBondContact O-CD1 3.32Å; V274-L278 VanDerWaalsContact O-CG 3.27Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å; L275-L278 WeakPolarHBondContact O-CA 3.32Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.16Å; A276-L278 PolarHBondContact O-N 2.9Å; L278-Y280 HydrophobicContact CB-CD2 4.1Å; L278-Y280 HydrophobicContact CB-CE2 4.19Å
279	G	95.7	Very high	94.2	Very high	40 Å²	40	59.2 Å²	59.2	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.2	9.1	175	0	0	0	0	0	114.6	L275 A276 P277 P307	L275-G279 PolarHBondContact O-N 3.19Å; A276-G279 WeakPolarHBondContact O-CA 3.46Å; A276-G279 PolarHBondContact O-N 3.42Å; P277-G279 PolarHBondContact O-N 2.78Å; G279-P307 WeakPolarHBondContact O-CG 3.42Å
280	Y	97.4	Very high	94.1	Very high	9 Å²	9	56 Å²	56	4%	0.035	31%	0.307	C	S	.	.			trans	-73.8	134.1	177.4	-72.1	-100.3	0	0	0	111.9	P251 E255 I257 L275 L278 V282 P307 V309	P251-Y280 HydrophobicContact CG-CE1 4.3Å; P251-Y280 HydrophobicContact CG-CE2 3.85Å; E255-Y280 HydrophobicContact CG-CE1 4.03Å; E255-Y280 PolarHBondContact OE1-OH 2.93Å; I257-Y280 HydrophobicContact CD1-CD1 4.1Å; I257-Y280 HydrophobicContact CD1-CE1 3.38Å; I257-Y280 HydrophobicContact CD1-CE2 4.46Å; I257-Y280 HydrophobicContact CG1-CE1 3.86Å; L275-Y280 HydrophobicContact CB-CD2 4Å; L275-Y280 HydrophobicContact CB-CG 4.11Å; L275-Y280 HydrophobicContact CD2-CD2 4.33Å; L275-Y280 HydrophobicContact CD2-CE2 4.25Å; L275-Y280 VanDerWaalsContact O-CD2 3.29Å; L275-Y280 WeakPolarHBondContact O-CD2 3.48Å; L275-Y280 PolarHBondContact O-N 3.36Å; L278-Y280 HydrophobicContact CB-CD2 4.1Å; L278-Y280 HydrophobicContact CB-CE2 4.19Å; Y280-V282 PolarHBondContact O-N 3.43Å; Y280-P307 WeakPolarHBondContact CA-O 3.49Å; Y280-P307 HydrophobicContact CD1-CB 3.78Å; Y280-P307 HydrophobicContact CD1-CG 4.49Å; Y280-P307 HydrophobicContact CE1-CB 3.81Å; Y280-P307 HydrophobicContact CG-CB 4.25Å; Y280-P307 HydrophobicContact CG-CG 4.49Å; Y280-V309 HydrophobicContact CD1-CB 4.44Å
281	E	96.6	Very high	93.9	Very high	99 Å²	99	59.9 Å²	59.9	46%	0.463	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.1	166.4	-172.3	65.5	-165	0	0	109.4	I283 A301 P307 V308 V309	E281-I283 HydrophobicContact CG-CD1 4.4Å; E281-I283 HydrophobicContact CG-CG1 4.21Å; E281-A301 HydrophobicContact CB-CB 4.47Å; E281-A301 HydrophobicContact CG-CB 4.31Å; E281-P307 PolarHBondContact N-O 2.85Å; E281-V308 HydrophobicContact CB-CG2 4.47Å; E281-V309 PolarHBondContact O-N 3.05Å
282	V	97.5	Very high	93.8	Very high	22 Å²	22	64.1 Å²	64.1	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109	-177.5	-175.2	0	0	0	0	110.5	C271 A276 Y280 V309 D311	C271-V282 HydrophobicContact CB-CG1 3.98Å; C271-V282 HydrophobicContact CB-CG2 4.22Å; A276-V282 HydrophobicContact CB-CG2 3.95Å; Y280-V282 PolarHBondContact O-N 3.43Å; V282-V309 HydrophobicContact CB-CG1 4.1Å; V282-V309 HydrophobicContact CG1-CG1 4.21Å; V282-V309 HydrophobicContact CG2-CG1 3.7Å; V282-D311 HydrophobicContact CG1-CB 4.04Å
283	I	97.2	Very high	93.8	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	179.9	-63.5	171.9	0	0	0	109.6	E281 C294 A297 V298 A301 V308 V309 V310 D311	E281-I283 HydrophobicContact CG-CD1 4.4Å; E281-I283 HydrophobicContact CG-CG1 4.21Å; I283-C294 HydrophobicContact CG2-CB 4.15Å; I283-A297 VanDerWaalsContact CD1-C 3.44Å; I283-A297 HydrophobicContact CD1-CB 3.76Å; I283-A297 HydrophobicContact CG1-CB 4.32Å; I283-A297 HydrophobicContact CG2-CB 4.09Å; I283-V298 HydrophobicContact CB-CG2 4.49Å; I283-V298 HydrophobicContact CD1-CB 4.37Å; I283-V298 HydrophobicContact CD1-CG2 3.77Å; I283-V298 HydrophobicContact CG2-CG2 4.31Å; I283-A301 HydrophobicContact CD1-CB 4.44Å; I283-V308 HydrophobicContact CD1-CG1 3.71Å; I283-V308 HydrophobicContact CG1-CG1 4.33Å; I283-V309 PolarHBondContact N-O 3.03Å; I283-V310 CarbonylContact O-C 3.57Å; I283-V310 VanDerWaalsContact O-CA 3.31Å; I283-V310 WeakPolarHBondContact O-CA 3.35Å; I283-D311 PolarHBondContact O-N 2.84Å
284	S	95.2	Very high	93.9	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.014	31%	0.311	C	S	.	.			trans	-134.7	155.5	176.7	73.7	0	0	0	0	110.8	D286 N287 V288 D311	S284-D286 PolarHBondContact O-N 3.3Å; S284-D286 PolarHBondContact OG-N 2.94Å; S284-N287 PolarHBondContact O-N 3.48Å; S284-N287 VanDerWaalsContact O-N 3.13Å; S284-N287 WeakPolarHBondContact OG-CB 3.22Å; S284-N287 PolarHBondContact OG-N 3.36Å; S284-N287 VanDerWaalsContact OG-N 3.08Å; S284-N287 PolarHBondContact OG-ND2 3.31Å; S284-N287 PolarHBondContact OG-OD1 2.87Å; S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.15Å; S284-D311 WeakPolarHBondContact CB-O 3.45Å
285	R	91.1	Very high	93.9	Very high	138 Å²	138	56.7 Å²	56.7	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-28.1	172.8	-172.1	176.2	177	179.5	-2.8	111.6	N287 G289 N312	R285-N287 VanDerWaalsContact C-N 3.29Å; R285-N287 PolarHBondContact O-N 3.33Å; R285-G289 WeakPolarHBondContact CG-O 3.43Å; R285-G289 PolarHBondContact NE-O 3.22Å; R285-G289 CarbonylContact O-C 3.53Å; R285-G289 WeakPolarHBondContact O-CA 3.38Å; R285-G289 PolarHBondContact O-N 2.95Å; R285-N312 VanDerWaalsContact CB-OD1 3.25Å; R285-N312 WeakPolarHBondContact CB-OD1 3.36Å; R285-N312 PolarHBondContact N-OD1 2.82Å
286	D	83.4	Confident	93.9	Very high	144 Å²	144	62.6 Å²	62.6	77%	0.77	34%	0.335	S	S	*	.	H	α-helix	trans	-66.9	-33.6	175.8	-63	-29.3	0	0	0	111.3	S284	S284-D286 PolarHBondContact O-N 3.3Å; S284-D286 PolarHBondContact OG-N 2.94Å
287	N	83.2	Confident	93.9	Very high	116 Å²	116	61.8 Å²	61.8	62%	0.62	33%	0.329	S	S	*	.	H	α-helix	trans	-82	-38.1	179	-64.3	-5.8	0	0	0	112.8	S284 R285	S284-N287 PolarHBondContact O-N 3.48Å; S284-N287 VanDerWaalsContact O-N 3.13Å; S284-N287 WeakPolarHBondContact OG-CB 3.22Å; S284-N287 PolarHBondContact OG-N 3.36Å; S284-N287 VanDerWaalsContact OG-N 3.08Å; S284-N287 PolarHBondContact OG-ND2 3.31Å; S284-N287 PolarHBondContact OG-OD1 2.87Å; R285-N287 VanDerWaalsContact C-N 3.29Å; R285-N287 PolarHBondContact O-N 3.33Å
288	V	88.4	Confident	93.9	Very high	43 Å²	43	58 Å²	58	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-109.9	-11.8	-172.1	-50.1	0	0	0	0	114.8	S284 T290 K293 C294	S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.15Å; V288-T290 PolarHBondContact O-N 2.91Å; V288-K293 HydrophobicContact CB-CB 4.12Å; V288-K293 HydrophobicContact CG2-CB 3.88Å; V288-K293 WeakPolarHBondContact O-CD 3.41Å; V288-C294 HydrophobicContact CG2-CB 4.18Å; V288-C294 WeakPolarHBondContact CG2-SG 3.26Å
289	G	89.4	Confident	93.9	Very high	43 Å²	43	60.2 Å²	60.2	44%	0.443	31%	0.314	S	S	.	.	S	Bend	trans	95.5	-54.8	172.2	0	0	0	0	0	116.1	R285	R285-G289 WeakPolarHBondContact CG-O 3.43Å; R285-G289 PolarHBondContact NE-O 3.22Å; R285-G289 CarbonylContact O-C 3.53Å; R285-G289 WeakPolarHBondContact O-CA 3.38Å; R285-G289 PolarHBondContact O-N 2.95Å
290	T	92.1	Very high	93.9	Very high	51 Å²	51	63.9 Å²	63.9	31%	0.313	32%	0.32	S	S	.	.	S	Bend	trans	-121.1	156.1	-175.9	72.2	0	0	0	0	112.3	V288 Q292 K293 C294	V288-T290 PolarHBondContact O-N 2.91Å; T290-Q292 VanDerWaalsContact C-N 3.25Å; T290-Q292 PolarHBondContact O-N 3.5Å; T290-Q292 PolarHBondContact OG1-OE1 3.23Å; T290-K293 PolarHBondContact O-N 2.84Å; T290-K293 WeakPolarHBondContact OG1-CG 3.46Å; T290-K293 PolarHBondContact OG1-N 3.4Å; T290-C294 PolarHBondContact O-N 3.25Å; T290-C294 PolarHBondContact O-SG 2.93Å; T290-C294 VanDerWaalsContact O-SG 3.38Å
291	W	92	Very high	93.8	Very high	94 Å²	94	63.8 Å²	63.8	36%	0.356	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-32.1	178.7	74.1	-98.5	0	0	0	111.9	K293 C294 V295 R322	W291-K293 VanDerWaalsContact C-N 3.34Å; W291-C294 WeakPolarHBondContact O-CB 3.41Å; W291-C294 PolarHBondContact O-N 2.87Å; W291-V295 HydrophobicContact CE3-CG2 4.04Å; W291-V295 HydrophobicContact CZ3-CG2 4.18Å; W291-V295 PolarHBondContact O-N 3.42Å; W291-R322 VanDerWaalsContact CD2-NH1 3.33Å; W291-R322 HydrophobicContact CZ3-CG 4.38Å
292	Q	95.6	Very high	93.8	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-41	175	-61.1	91	-23.6	0	0	111.1	T290 C294 V295 Q296	T290-Q292 VanDerWaalsContact C-N 3.25Å; T290-Q292 PolarHBondContact O-N 3.5Å; T290-Q292 PolarHBondContact OG1-OE1 3.23Å; Q292-C294 VanDerWaalsContact C-N 3.34Å; Q292-V295 PolarHBondContact O-N 3.43Å; Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.28Å
293	K	96.6	Very high	93.7	Very high	113 Å²	113	61.2 Å²	61.2	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-35.1	174.4	-72.8	179.8	175.2	-172	0	111.9	V288 T290 W291 Q296 A297	V288-K293 HydrophobicContact CB-CB 4.12Å; V288-K293 HydrophobicContact CG2-CB 3.88Å; V288-K293 WeakPolarHBondContact O-CD 3.41Å; T290-K293 PolarHBondContact O-N 2.84Å; T290-K293 WeakPolarHBondContact OG1-CG 3.46Å; T290-K293 PolarHBondContact OG1-N 3.4Å; W291-K293 VanDerWaalsContact C-N 3.34Å; K293-Q296 PolarHBondContact O-N 2.99Å; K293-A297 VanDerWaalsContact O-CB 3.31Å; K293-A297 WeakPolarHBondContact O-CB 3.41Å; K293-A297 PolarHBondContact O-N 3.41Å
294	C	96.6	Very high	93.6	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-47.8	171.1	-63	0	0	0	0	111.1	I283 V288 T290 W291 Q292 Q296 A297 V298 Y323	I283-C294 HydrophobicContact CG2-CB 4.15Å; V288-C294 HydrophobicContact CG2-CB 4.18Å; V288-C294 WeakPolarHBondContact CG2-SG 3.26Å; T290-C294 PolarHBondContact O-N 3.25Å; T290-C294 PolarHBondContact O-SG 2.93Å; T290-C294 VanDerWaalsContact O-SG 3.38Å; W291-C294 WeakPolarHBondContact O-CB 3.41Å; W291-C294 PolarHBondContact O-N 2.87Å; Q292-C294 VanDerWaalsContact C-N 3.34Å; C294-Q296 PolarHBondContact O-N 3.43Å; C294-A297 PolarHBondContact O-N 3.48Å; C294-V298 WeakPolarHBondContact O-CG2 3.46Å; C294-V298 PolarHBondContact O-N 3.33Å; C294-Y323 HydrophobicContact CB-CE1 4.14Å; C294-Y323 WeakPolarHBondContact CB-OH 3.49Å
295	V	96.5	Very high	93.5	Very high	25 Å²	25	71.2 Å²	71.2	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-58.2	-48.3	178.1	163.4	0	0	0	0	111.1	W291 Q292 A297 V298 E299 R322 Y323 I326	W291-V295 HydrophobicContact CE3-CG2 4.04Å; W291-V295 HydrophobicContact CZ3-CG2 4.18Å; W291-V295 PolarHBondContact O-N 3.42Å; Q292-V295 PolarHBondContact O-N 3.43Å; V295-A297 PolarHBondContact O-N 3.49Å; V295-V298 PolarHBondContact O-N 3.38Å; V295-E299 PolarHBondContact O-N 3.33Å; V295-R322 HydrophobicContact CG2-CB 4.36Å; V295-Y323 HydrophobicContact CG2-CD1 4.32Å; V295-Y323 HydrophobicContact CG2-CE1 3.98Å; V295-I326 HydrophobicContact CB-CD1 4.3Å; V295-I326 HydrophobicContact CG1-CD1 3.78Å; V295-I326 HydrophobicContact CG2-CD1 4.32Å
296	Q	96.3	Very high	93.7	Very high	123 Å²	123	67.9 Å²	67.9	58%	0.575	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-43	177.5	-71.4	173.2	-9.6	0	0	112.5	Q292 K293 C294 V298 E299 Q300	Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.28Å; K293-Q296 PolarHBondContact O-N 2.99Å; C294-Q296 PolarHBondContact O-N 3.43Å; Q296-V298 VanDerWaalsContact C-N 3.32Å; Q296-V298 PolarHBondContact O-N 3.39Å; Q296-E299 PolarHBondContact O-N 3.49Å; Q296-Q300 WeakPolarHBondContact O-CB 3.45Å; Q296-Q300 PolarHBondContact O-N 2.95Å
297	A	96.9	Very high	94.4	Very high	22 Å²	22	61.8 Å²	61.8	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-38.6	177.8	0	0	0	0	0	111.6	I283 K293 C294 V295 Q300 A301	I283-A297 VanDerWaalsContact CD1-C 3.44Å; I283-A297 HydrophobicContact CD1-CB 3.76Å; I283-A297 HydrophobicContact CG1-CB 4.32Å; I283-A297 HydrophobicContact CG2-CB 4.09Å; K293-A297 VanDerWaalsContact O-CB 3.31Å; K293-A297 WeakPolarHBondContact O-CB 3.41Å; K293-A297 PolarHBondContact O-N 3.41Å; C294-A297 PolarHBondContact O-N 3.48Å; V295-A297 PolarHBondContact O-N 3.49Å; A297-Q300 PolarHBondContact O-N 3.04Å; A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 3.04Å
298	V	97.2	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-48.8	175.9	169.7	0	0	0	0	110.3	L256 I283 C294 V295 Q296 Q300 A301 I302 V308 V310 Y323 I326	L256-V298 HydrophobicContact CD1-CG1 4.01Å; L256-V298 HydrophobicContact CD2-CG1 4.42Å; I283-V298 HydrophobicContact CB-CG2 4.49Å; I283-V298 HydrophobicContact CD1-CB 4.37Å; I283-V298 HydrophobicContact CD1-CG2 3.77Å; I283-V298 HydrophobicContact CG2-CG2 4.31Å; C294-V298 WeakPolarHBondContact O-CG2 3.46Å; C294-V298 PolarHBondContact O-N 3.33Å; V295-V298 PolarHBondContact O-N 3.38Å; Q296-V298 VanDerWaalsContact C-N 3.32Å; Q296-V298 PolarHBondContact O-N 3.39Å; V298-Q300 VanDerWaalsContact C-N 3.31Å; V298-Q300 PolarHBondContact O-N 2.89Å; V298-A301 PolarHBondContact O-N 3.46Å; V298-I302 HydrophobicContact CG1-CD1 3.52Å; V298-I302 HydrophobicContact CG1-CG1 4.36Å; V298-I302 WeakPolarHBondContact O-CB 3.35Å; V298-I302 VanDerWaalsContact O-CG1 3.25Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.47Å; V298-V308 HydrophobicContact CG1-CG1 4.49Å; V298-V308 HydrophobicContact CG2-CG1 4.05Å; V298-V310 HydrophobicContact CG2-CG2 3.67Å; V298-Y323 HydrophobicContact CG2-CD1 4.21Å; V298-Y323 HydrophobicContact CG2-CE1 4.29Å; V298-I326 HydrophobicContact CB-CD1 4.34Å; V298-I326 HydrophobicContact CG1-CD1 4.02Å; V298-I326 HydrophobicContact CG1-CG2 4.34Å
299	E	96.6	Very high	95.6	Very high	85 Å²	85	54.2 Å²	54.2	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-42.6	175.7	-72.9	177.3	160.3	0	0	111.9	V295 Q296 I302 S303 I326	V295-E299 PolarHBondContact O-N 3.33Å; Q296-E299 PolarHBondContact O-N 3.49Å; E299-I302 PolarHBondContact O-N 3.3Å; E299-S303 WeakPolarHBondContact O-CB 3.46Å; E299-S303 PolarHBondContact O-N 3.14Å; E299-S303 PolarHBondContact O-OG 3.09Å; E299-I326 HydrophobicContact CG-CD1 4.2Å; E299-I326 HydrophobicContact CG-CG1 4.24Å; E299-I326 HydrophobicContact CG-CG2 3.69Å
300	Q	96.2	Very high	96	Very high	116 Å²	116	52.2 Å²	52.2	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-40.4	178.5	-167.5	-178.3	13.8	0	0	112.3	Q296 A297 V298 S303 K304	Q296-Q300 WeakPolarHBondContact O-CB 3.45Å; Q296-Q300 PolarHBondContact O-N 2.95Å; A297-Q300 PolarHBondContact O-N 3.04Å; V298-Q300 VanDerWaalsContact C-N 3.31Å; V298-Q300 PolarHBondContact O-N 2.89Å; Q300-S303 PolarHBondContact O-OG 3.1Å; Q300-K304 WeakPolarHBondContact O-CG 3.42Å; Q300-K304 PolarHBondContact O-N 3.25Å
301	A	96	Very high	96.3	Very high	7 Å²	7	50.2 Å²	50.2	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-41.9	176.8	0	0	0	0	0	111.8	E281 I283 A297 V298 S303 K304 S305 L306 V308	E281-A301 HydrophobicContact CB-CB 4.47Å; E281-A301 HydrophobicContact CG-CB 4.31Å; I283-A301 HydrophobicContact CD1-CB 4.44Å; A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 3.04Å; V298-A301 PolarHBondContact O-N 3.46Å; A301-S303 PolarHBondContact O-N 3.44Å; A301-K304 CarbonylContact O-C 3.58Å; A301-K304 WeakPolarHBondContact O-CB 3.47Å; A301-K304 PolarHBondContact O-N 3.35Å; A301-K304 VanDerWaalsContact O-N 3.1Å; A301-S305 PolarHBondContact O-N 2.91Å; A301-L306 HydrophobicContact CB-CB 4.48Å; A301-L306 WeakPolarHBondContact O-CB 3.1Å; A301-L306 PolarHBondContact O-N 3.09Å; A301-L306 VanDerWaalsContact O-N 3.13Å; A301-V308 HydrophobicContact CB-CG2 3.45Å; A301-V308 VanDerWaalsContact CB-CG2 3.45Å
302	I	96	Very high	96.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.7	-69.2	166.4	0	0	0	111.4	V298 E299 K304 S305 V308 I326 W330 I332	V298-I302 HydrophobicContact CG1-CD1 3.52Å; V298-I302 HydrophobicContact CG1-CG1 4.36Å; V298-I302 WeakPolarHBondContact O-CB 3.35Å; V298-I302 VanDerWaalsContact O-CG1 3.25Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.47Å; E299-I302 PolarHBondContact O-N 3.3Å; I302-K304 PolarHBondContact O-N 3.06Å; I302-K304 VanDerWaalsContact O-N 3.15Å; I302-S305 WeakPolarHBondContact O-CA 3.46Å; I302-S305 PolarHBondContact O-N 3.03Å; I302-V308 HydrophobicContact CG1-CG2 4.17Å; I302-I326 HydrophobicContact CD1-CG2 3.76Å; I302-W330 HydrophobicContact CG2-CB 3.78Å; I302-W330 HydrophobicContact CG2-CD2 3.77Å; I302-W330 HydrophobicContact CG2-CE3 4.09Å; I302-W330 HydrophobicContact CG2-CG 3.63Å; I302-I332 HydrophobicContact CD1-CD1 3.5Å; I302-I332 VanDerWaalsContact CD1-CD1 3.5Å; I302-I332 HydrophobicContact CG1-CD1 3.73Å; I302-I332 HydrophobicContact CG2-CD1 3.99Å
303	S	94.8	Very high	96.5	Very high	62 Å²	62	44.6 Å²	44.6	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-22.4	175.9	63.8	0	0	0	0	113.5	E299 Q300 A301 S305	E299-S303 WeakPolarHBondContact O-CB 3.46Å; E299-S303 PolarHBondContact O-N 3.14Å; E299-S303 PolarHBondContact O-OG 3.09Å; Q300-S303 PolarHBondContact O-OG 3.1Å; A301-S303 PolarHBondContact O-N 3.44Å; S303-S305 VanDerWaalsContact C-N 3.29Å
304	K	95	Very high	96.5	Very high	130 Å²	130	39.5 Å²	39.5	57%	0.565	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	9.3	171.6	-63.5	173.4	-175.2	175.1	0	113	Q300 A301 I302 L306	Q300-K304 WeakPolarHBondContact O-CG 3.42Å; Q300-K304 PolarHBondContact O-N 3.25Å; A301-K304 CarbonylContact O-C 3.58Å; A301-K304 WeakPolarHBondContact O-CB 3.47Å; A301-K304 PolarHBondContact O-N 3.35Å; A301-K304 VanDerWaalsContact O-N 3.1Å; I302-K304 PolarHBondContact O-N 3.06Å; I302-K304 VanDerWaalsContact O-N 3.15Å; K304-L306 HydrophobicContact CB-CD1 4.21Å; K304-L306 HydrophobicContact CB-CG 4.06Å; K304-L306 HydrophobicContact CD-CD1 4.47Å; K304-L306 PolarHBondContact O-N 3.37Å
305	S	94.3	Very high	96.5	Very high	90 Å²	90	39.7 Å²	39.7	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	27	-175.9	-57.5	0	0	0	0	114.3	A301 I302 S303	A301-S305 PolarHBondContact O-N 2.91Å; I302-S305 WeakPolarHBondContact O-CA 3.46Å; I302-S305 PolarHBondContact O-N 3.03Å; S303-S305 VanDerWaalsContact C-N 3.29Å
306	L	95.6	Very high	96.5	Very high	67 Å²	67	39.6 Å²	39.6	35%	0.351	21%	0.213	S	C	.	.			trans	-84.8	140.6	176.8	-61.9	174.7	0	0	0	110.4	S254 A301 K304 V308	S254-L306 PolarHBondContact OG-O 3.27Å; A301-L306 HydrophobicContact CB-CB 4.48Å; A301-L306 WeakPolarHBondContact O-CB 3.1Å; A301-L306 PolarHBondContact O-N 3.09Å; A301-L306 VanDerWaalsContact O-N 3.13Å; K304-L306 HydrophobicContact CB-CD1 4.21Å; K304-L306 HydrophobicContact CB-CG 4.06Å; K304-L306 HydrophobicContact CD-CD1 4.47Å; K304-L306 PolarHBondContact O-N 3.37Å; L306-V308 WeakPolarHBondContact O-CG2 3.39Å
307	P	97.3	Very high	96.6	Very high	17 Å²	17	37 Å²	37	11%	0.11	20%	0.202	C	C	.	.			trans	-70	140.5	167.2	32.1	-34.9	0	0	0	110	P251 E255 G279 Y280 E281	P251-P307 HydrophobicContact CB-CB 4.3Å; P251-P307 HydrophobicContact CG-CB 3.37Å; P251-P307 HydrophobicContact CG-CG 3.57Å; E255-P307 WeakPolarHBondContact O-CA 3.32Å; G279-P307 WeakPolarHBondContact O-CG 3.42Å; Y280-P307 WeakPolarHBondContact CA-O 3.49Å; Y280-P307 HydrophobicContact CD1-CB 3.78Å; Y280-P307 HydrophobicContact CD1-CG 4.49Å; Y280-P307 HydrophobicContact CE1-CB 3.81Å; Y280-P307 HydrophobicContact CG-CB 4.25Å; Y280-P307 HydrophobicContact CG-CG 4.49Å; E281-P307 PolarHBondContact N-O 2.85Å
308	V	97.9	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.9	-170.4	-178.3	0	0	0	0	110.7	E255 L256 I257 E281 I283 V298 A301 I302 L306	E255-V308 PolarHBondContact O-N 3.19Å; L256-V308 CarbonylContact C-O 3.5Å; L256-V308 WeakPolarHBondContact CA-O 3.47Å; L256-V308 HydrophobicContact CD1-CB 3.95Å; L256-V308 HydrophobicContact CD1-CG1 3.94Å; I257-V308 PolarHBondContact N-O 3.07Å; E281-V308 HydrophobicContact CB-CG2 4.47Å; I283-V308 HydrophobicContact CD1-CG1 3.71Å; I283-V308 HydrophobicContact CG1-CG1 4.33Å; V298-V308 HydrophobicContact CG1-CG1 4.49Å; V298-V308 HydrophobicContact CG2-CG1 4.05Å; A301-V308 HydrophobicContact CB-CG2 3.45Å; A301-V308 VanDerWaalsContact CB-CG2 3.45Å; I302-V308 HydrophobicContact CG1-CG2 4.17Å; L306-V308 WeakPolarHBondContact O-CG2 3.39Å
309	V	98.2	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.7	165.7	60.5	0	0	0	0	110.9	I257 M259 C271 L275 Y280 E281 V282 I283	I257-V309 HydrophobicContact CB-CB 4.12Å; I257-V309 HydrophobicContact CB-CG2 3.96Å; I257-V309 HydrophobicContact CG2-CG2 3.89Å; I257-V309 CarbonylContact O-C 3.54Å; I257-V309 WeakPolarHBondContact O-CA 3.28Å; M259-V309 HydrophobicContact CG-CG2 3.66Å; M259-V309 HydrophobicContact SD-CG2 4.06Å; C271-V309 HydrophobicContact CB-CG1 4.45Å; L275-V309 HydrophobicContact CB-CG1 4.41Å; L275-V309 HydrophobicContact CD1-CB 3.96Å; L275-V309 HydrophobicContact CD1-CG1 4.11Å; L275-V309 HydrophobicContact CD1-CG2 3.68Å; Y280-V309 HydrophobicContact CD1-CB 4.44Å; E281-V309 PolarHBondContact O-N 3.05Å; V282-V309 HydrophobicContact CB-CG1 4.1Å; V282-V309 HydrophobicContact CG1-CG1 4.21Å; V282-V309 HydrophobicContact CG2-CG1 3.7Å; I283-V309 PolarHBondContact N-O 3.03Å
310	V	98.3	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	99.2	173.2	-178.2	0	0	0	0	109.3	L256 I257 L258 M259 I283 V298 N312 Y323	L256-V310 HydrophobicContact CD1-CG2 3.92Å; I257-V310 PolarHBondContact O-N 3.14Å; L258-V310 HydrophobicContact CD2-CB 3.77Å; L258-V310 HydrophobicContact CD2-CG2 3.75Å; M259-V310 PolarHBondContact N-O 3.44Å; M259-V310 VanDerWaalsContact N-O 3.17Å; I283-V310 CarbonylContact O-C 3.57Å; I283-V310 VanDerWaalsContact O-CA 3.31Å; I283-V310 WeakPolarHBondContact O-CA 3.35Å; V298-V310 HydrophobicContact CG2-CG2 3.67Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 HydrophobicContact CG1-CB 4.19Å; V310-N312 VanDerWaalsContact CG1-ND2 3.27Å; V310-N312 WeakPolarHBondContact CG1-ND2 3.42Å; V310-N312 PolarHBondContact O-N 3.37Å; V310-N312 VanDerWaalsContact O-N 3.1Å; V310-Y323 HydrophobicContact CG1-CD1 4.48Å; V310-Y323 HydrophobicContact CG1-CD2 4.39Å; V310-Y323 HydrophobicContact CG1-CE1 3.98Å; V310-Y323 HydrophobicContact CG1-CE2 3.87Å; V310-Y323 HydrophobicContact CG2-CD1 3.94Å; V310-Y323 HydrophobicContact CG2-CE1 4.05Å; V310-Y323 HydrophobicContact CG2-CG 4.31Å
311	D	97.5	Very high	96.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.053	20%	0.198	C	C	.	.			trans	-84.3	70.7	175.7	-179.1	28.8	0	0	0	111	K267 S268 V282 I283 S284	K267-D311 WeakPolarHBondContact CB-OD1 3.4Å; S268-D311 WeakPolarHBondContact CA-OD2 3.22Å; S268-D311 WeakPolarHBondContact CB-OD2 3.36Å; S268-D311 PolarHBondContact OG-OD2 2.77Å; V282-D311 HydrophobicContact CG1-CB 4.04Å; I283-D311 PolarHBondContact O-N 2.84Å; S284-D311 WeakPolarHBondContact CB-O 3.45Å
312	N	96.5	Very high	96.7	Very high	24 Å²	24	38.3 Å²	38.3	13%	0.128	21%	0.207	C	C	.	.	S	Bend	trans	-122.3	174.9	169.8	-70.8	-48.6	0	0	0	109.3	M259 K267 R285 V310 Y323	M259-N312 VanDerWaalsContact O-O 3.11Å; K267-N312 VanDerWaalsContact CE-O 3.27Å; K267-N312 WeakPolarHBondContact CE-O 3.33Å; R285-N312 VanDerWaalsContact CB-OD1 3.25Å; R285-N312 WeakPolarHBondContact CB-OD1 3.36Å; R285-N312 PolarHBondContact N-OD1 2.82Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 HydrophobicContact CG1-CB 4.19Å; V310-N312 VanDerWaalsContact CG1-ND2 3.27Å; V310-N312 WeakPolarHBondContact CG1-ND2 3.42Å; V310-N312 PolarHBondContact O-N 3.37Å; V310-N312 VanDerWaalsContact O-N 3.1Å; N312-Y323 PolarHBondContact ND2-OH 3.5Å
313	T	95.9	Very high	96.8	Very high	41 Å²	41	38.3 Å²	38.3	25%	0.252	21%	0.207	S	C	.	.			trans	-72.5	-34.2	178.2	56.1	0	0	0	0	113.1	V260 G261 P263 M315 M371	V260-T313 WeakPolarHBondContact CA-O 3.32Å; G261-T313 PolarHBondContact N-O 2.69Å; G261-T313 VanDerWaalsContact N-O 3.08Å; G261-T313 WeakPolarHBondContact O-CA 3.43Å; G261-T313 WeakPolarHBondContact O-CB 3.43Å; P263-T313 HydrophobicContact CG-CG2 3.96Å; T313-M315 VanDerWaalsContact C-N 3.25Å; T313-M315 PolarHBondContact O-N 2.81Å; T313-M315 VanDerWaalsContact O-N 3.15Å; T313-M371 HydrophobicContact CG2-CE 3.84Å; T313-M371 HydrophobicContact CG2-SD 4.03Å
314	N	96.9	Very high	96.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.19	C	C	.	.			trans	46.6	44.1	173.7	-61.5	-38.1	0	0	0	114.1	M259 V260 D316 R320	M259-N314 WeakPolarHBondContact O-CB 3.47Å; M259-N314 PolarHBondContact O-ND2 2.73Å; V260-N314 HydrophobicContact CG2-CB 4.04Å; N314-D316 PolarHBondContact O-N 2.84Å; N314-R320 HydrophobicContact CB-CG 3.94Å; N314-R320 WeakPolarHBondContact O-CD 3.35Å; N314-R320 PolarHBondContact O-NH1 2.86Å; N314-R320 VanDerWaalsContact O-NH1 3.13Å
315	M	96.1	Very high	97	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.025	19%	0.192	C	C	.	.			trans	-70.8	-31.7	-169.4	-60.1	-60.2	-70	0	0	114.1	Y262 T313 R320 M371 Y375 E376	Y262-M315 HydrophobicContact CD1-CE 4Å; Y262-M315 HydrophobicContact CE1-CE 3.72Å; T313-M315 VanDerWaalsContact C-N 3.25Å; T313-M315 PolarHBondContact O-N 2.81Å; T313-M315 VanDerWaalsContact O-N 3.15Å; M315-R320 PolarHBondContact O-NH1 3.33Å; M315-R320 VanDerWaalsContact O-NH1 3.08Å; M315-M371 HydrophobicContact CE-CB 4.18Å; M315-M371 HydrophobicContact CG-CB 4.09Å; M315-M371 HydrophobicContact CG-CG 4.19Å; M315-Y375 HydrophobicContact CE-CD2 3.46Å; M315-Y375 VanDerWaalsContact CE-CD2 3.46Å; M315-Y375 HydrophobicContact CE-CE2 4.41Å; M315-Y375 HydrophobicContact CE-CG 3.92Å; M315-Y375 WeakPolarHBondContact O-CA 3.42Å; M315-Y375 HydrophobicContact SD-CD2 4.26Å; M315-E376 PolarHBondContact O-N 3.06Å
316	D	96.9	Very high	97.1	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	16%	0.164	C	C	.	.	S	Bend	trans	-112.3	160.5	-175.1	53.2	57.7	0	0	0	112.6	N314 E318 S319 R320	N314-D316 PolarHBondContact O-N 2.84Å; D316-E318 VanDerWaalsContact C-N 3.3Å; D316-E318 PolarHBondContact O-N 2.84Å; D316-S319 PolarHBondContact O-N 2.84Å; D316-S319 WeakPolarHBondContact OD1-CB 3.46Å; D316-S319 PolarHBondContact OD1-N 2.68Å; D316-S319 PolarHBondContact OD1-OG 3.28Å; D316-R320 PolarHBondContact O-N 3.08Å; D316-R320 PolarHBondContact O-NH1 3.02Å
317	L	97.7	Very high	97.1	Very high	68 Å²	68	29.6 Å²	29.6	36%	0.356	15%	0.148	S	C	.	.	H	α-helix	trans	-61.2	-39.4	-179.9	174.8	61	0	0	0	111.8	S319 R320 T321 E376 E382	L317-S319 VanDerWaalsContact C-N 3.35Å; L317-S319 PolarHBondContact O-N 3.25Å; L317-R320 PolarHBondContact O-N 3.14Å; L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.36Å; L317-T321 PolarHBondContact O-N 3.08Å; L317-T321 PolarHBondContact O-OG1 2.94Å; L317-E376 PolarHBondContact N-OE1 2.8Å; L317-E382 HydrophobicContact CD1-CB 4.43Å; L317-E382 VanDerWaalsContact CD1-CD 3.46Å; L317-E382 HydrophobicContact CD1-CG 3.54Å
318	E	96.6	Very high	97	Very high	126 Å²	126	37.1 Å²	37.1	59%	0.589	18%	0.179	S	C	*	.	H	α-helix	trans	-59	-46.6	-178.7	-167.7	-159.1	140.9	0	0	111.3	D316 R320 T321 R322	D316-E318 VanDerWaalsContact C-N 3.3Å; D316-E318 PolarHBondContact O-N 2.84Å; E318-R320 PolarHBondContact O-N 3.03Å; E318-T321 PolarHBondContact O-N 3.29Å; E318-R322 WeakPolarHBondContact O-CG 3.42Å; E318-R322 PolarHBondContact O-N 3.43Å; E318-R322 IonicContact OE1-CZ 2.85Å; E318-R322 IonicContact OE1-NE 3.69Å; E318-R322 IonicContact OE1-NH2 3.02Å; E318-R322 PolarHBondContact OE1-NH2 2.78Å
319	S	96.3	Very high	96.9	Very high	26 Å²	26	42.8 Å²	42.8	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179.6	-63.2	0	0	0	0	111.7	D316 L317 Y323	D316-S319 PolarHBondContact O-N 2.84Å; D316-S319 WeakPolarHBondContact OD1-CB 3.46Å; D316-S319 PolarHBondContact OD1-N 2.68Å; D316-S319 PolarHBondContact OD1-OG 3.28Å; L317-S319 VanDerWaalsContact C-N 3.35Å; L317-S319 PolarHBondContact O-N 3.25Å; S319-Y323 WeakPolarHBondContact O-CD2 3.31Å; S319-Y323 WeakPolarHBondContact O-CE2 3.21Å
320	R	98	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-41	179.4	-66.4	-174.7	-52.5	-104.1	8.7	112.2	L258 N314 M315 D316 L317 E318 R322 Y323 I324 E376 E382 Y384	L258-R320 HydrophobicContact CD1-CB 4.2Å; L258-R320 HydrophobicContact CD1-CG 4.45Å; N314-R320 HydrophobicContact CB-CG 3.94Å; N314-R320 WeakPolarHBondContact O-CD 3.35Å; N314-R320 PolarHBondContact O-NH1 2.86Å; N314-R320 VanDerWaalsContact O-NH1 3.13Å; M315-R320 PolarHBondContact O-NH1 3.33Å; M315-R320 VanDerWaalsContact O-NH1 3.08Å; D316-R320 PolarHBondContact O-N 3.08Å; D316-R320 PolarHBondContact O-NH1 3.02Å; L317-R320 PolarHBondContact O-N 3.14Å; E318-R320 PolarHBondContact O-N 3.03Å; R320-R322 PolarHBondContact O-N 3.27Å; R320-R322 VanDerWaalsContact O-N 3.13Å; R320-Y323 PolarHBondContact O-N 3.02Å; R320-I324 HydrophobicContact CB-CD1 4.27Å; R320-I324 PolarHBondContact O-N 2.99Å; R320-I324 VanDerWaalsContact O-N 3.11Å; R320-E376 PolarHBondContact NH1-O 3.31Å; R320-E376 PolarHBondContact NH2-O 3.02Å; R320-E382 IonicContact CZ-OE1 2.71Å; R320-E382 IonicContact CZ-OE2 2.72Å; R320-E382 IonicContact NE-OE1 3.86Å; R320-E382 PolarHBondContact NE-OE1 3.18Å; R320-E382 IonicContact NE-OE2 3.89Å; R320-E382 PolarHBondContact NE-OE2 2.91Å; R320-E382 IonicContact NH2-OE1 3.95Å; R320-E382 PolarHBondContact NH2-OE1 3.25Å; R320-E382 IonicContact NH2-OE2 3.72Å; R320-Y384 WeakPolarHBondContact CB-OH 3.49Å; R320-Y384 WeakPolarHBondContact CD-OH 3.22Å
321	T	97.8	Very high	96.7	Very high	42 Å²	42	55.6 Å²	55.6	26%	0.258	27%	0.273	S	S	.	.	H	α-helix	trans	-55	-34.3	179.5	-64.4	0	0	0	0	112.5	L317 E318 Y323 I324 K325	L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.36Å; L317-T321 PolarHBondContact O-N 3.08Å; L317-T321 PolarHBondContact O-OG1 2.94Å; E318-T321 PolarHBondContact O-N 3.29Å; T321-Y323 VanDerWaalsContact C-N 3.25Å; T321-Y323 PolarHBondContact O-N 3.08Å; T321-I324 PolarHBondContact O-N 3.35Å; T321-K325 HydrophobicContact CG2-CD 4.03Å; T321-K325 HydrophobicContact CG2-CG 4.25Å; T321-K325 WeakPolarHBondContact O-CB 3.4Å; T321-K325 VanDerWaalsContact O-CG 3.3Å; T321-K325 WeakPolarHBondContact O-CG 3.47Å; T321-K325 PolarHBondContact O-N 2.96Å
322	R	96.8	Very high	96.6	Very high	63 Å²	63	56.3 Å²	56.3	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-39.2	178.2	-65.7	165.9	-171.5	176.8	3.6	112.2	W291 V295 E318 R320 I326	W291-R322 VanDerWaalsContact CD2-NH1 3.33Å; W291-R322 HydrophobicContact CZ3-CG 4.38Å; V295-R322 HydrophobicContact CG2-CB 4.36Å; E318-R322 WeakPolarHBondContact O-CG 3.42Å; E318-R322 PolarHBondContact O-N 3.43Å; E318-R322 IonicContact OE1-CZ 2.85Å; E318-R322 IonicContact OE1-NE 3.69Å; E318-R322 IonicContact OE1-NH2 3.02Å; E318-R322 PolarHBondContact OE1-NH2 2.78Å; R320-R322 PolarHBondContact O-N 3.27Å; R320-R322 VanDerWaalsContact O-N 3.13Å; R322-I326 WeakPolarHBondContact O-CG1 3.47Å
323	Y	97.9	Very high	96.6	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-88.8	-36.4	-177.6	-55.4	-72.4	0	0	0	112.4	L258 C294 V295 V298 V310 N312 S319 R320 T321 K325 I326 A327	L258-Y323 HydrophobicContact CD1-CD2 4.36Å; L258-Y323 HydrophobicContact CD2-CD2 3.99Å; L258-Y323 HydrophobicContact CD2-CG 3.87Å; C294-Y323 HydrophobicContact CB-CE1 4.14Å; C294-Y323 WeakPolarHBondContact CB-OH 3.49Å; V295-Y323 HydrophobicContact CG2-CD1 4.32Å; V295-Y323 HydrophobicContact CG2-CE1 3.98Å; V298-Y323 HydrophobicContact CG2-CD1 4.21Å; V298-Y323 HydrophobicContact CG2-CE1 4.29Å; V310-Y323 HydrophobicContact CG1-CD1 4.48Å; V310-Y323 HydrophobicContact CG1-CD2 4.39Å; V310-Y323 HydrophobicContact CG1-CE1 3.98Å; V310-Y323 HydrophobicContact CG1-CE2 3.87Å; V310-Y323 HydrophobicContact CG2-CD1 3.94Å; V310-Y323 HydrophobicContact CG2-CE1 4.05Å; V310-Y323 HydrophobicContact CG2-CG 4.31Å; N312-Y323 PolarHBondContact ND2-OH 3.5Å; S319-Y323 WeakPolarHBondContact O-CD2 3.31Å; S319-Y323 WeakPolarHBondContact O-CE2 3.21Å; R320-Y323 PolarHBondContact O-N 3.02Å; T321-Y323 VanDerWaalsContact C-N 3.25Å; T321-Y323 PolarHBondContact O-N 3.08Å; Y323-K325 VanDerWaalsContact C-N 3.25Å; Y323-K325 PolarHBondContact O-N 3.02Å; Y323-I326 HydrophobicContact CD1-CD1 4.32Å; Y323-I326 WeakPolarHBondContact O-CB 3.27Å; Y323-I326 PolarHBondContact O-N 3.09Å; Y323-I326 VanDerWaalsContact O-N 3.08Å; Y323-A327 PolarHBondContact O-N 2.86Å; Y323-A327 VanDerWaalsContact O-N 3.12Å
324	I	97.6	Very high	96.7	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-39.3	174.9	-66.6	159.1	0	0	0	111	L258 R320 T321 I326 A327 K328 V334 E382 Y384	L258-I324 HydrophobicContact CD1-CG1 4.22Å; R320-I324 HydrophobicContact CB-CD1 4.27Å; R320-I324 PolarHBondContact O-N 2.99Å; R320-I324 VanDerWaalsContact O-N 3.11Å; T321-I324 PolarHBondContact O-N 3.35Å; I324-I326 VanDerWaalsContact C-N 3.27Å; I324-I326 PolarHBondContact O-N 3.02Å; I324-A327 PolarHBondContact O-N 3.36Å; I324-K328 PolarHBondContact O-N 3.41Å; I324-V334 HydrophobicContact CG1-CG1 4.36Å; I324-V334 HydrophobicContact CG1-CG2 4.34Å; I324-V334 HydrophobicContact CG2-CG1 4.43Å; I324-E382 HydrophobicContact CD1-CB 3.84Å; I324-E382 WeakPolarHBondContact CG2-O 3.23Å; I324-Y384 HydrophobicContact CD1-CE1 4.05Å; I324-Y384 HydrophobicContact CD1-CE2 4.39Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.3Å; I324-Y384 HydrophobicContact CG1-CE1 4.13Å
325	K	97.2	Very high	96.8	Very high	138 Å²	138	57 Å²	57	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-57.9	-40	175.3	-78.3	175.4	176.5	177.1	0	112.3	T321 Y323 K328 V329	T321-K325 HydrophobicContact CG2-CD 4.03Å; T321-K325 HydrophobicContact CG2-CG 4.25Å; T321-K325 WeakPolarHBondContact O-CB 3.4Å; T321-K325 VanDerWaalsContact O-CG 3.3Å; T321-K325 WeakPolarHBondContact O-CG 3.47Å; T321-K325 PolarHBondContact O-N 2.96Å; Y323-K325 VanDerWaalsContact C-N 3.25Å; Y323-K325 PolarHBondContact O-N 3.02Å; K325-K328 PolarHBondContact O-N 3.4Å; K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.79Å
326	I	96.2	Very high	96.9	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-49.8	176.7	-56.1	164.6	0	0	0	109.4	V295 V298 E299 I302 R322 Y323 I324 K328 V329 W330	V295-I326 HydrophobicContact CB-CD1 4.3Å; V295-I326 HydrophobicContact CG1-CD1 3.78Å; V295-I326 HydrophobicContact CG2-CD1 4.32Å; V298-I326 HydrophobicContact CB-CD1 4.34Å; V298-I326 HydrophobicContact CG1-CD1 4.02Å; V298-I326 HydrophobicContact CG1-CG2 4.34Å; E299-I326 HydrophobicContact CG-CD1 4.2Å; E299-I326 HydrophobicContact CG-CG1 4.24Å; E299-I326 HydrophobicContact CG-CG2 3.69Å; I302-I326 HydrophobicContact CD1-CG2 3.76Å; R322-I326 WeakPolarHBondContact O-CG1 3.47Å; Y323-I326 HydrophobicContact CD1-CD1 4.32Å; Y323-I326 WeakPolarHBondContact O-CB 3.27Å; Y323-I326 PolarHBondContact O-N 3.09Å; Y323-I326 VanDerWaalsContact O-N 3.08Å; I324-I326 VanDerWaalsContact C-N 3.27Å; I324-I326 PolarHBondContact O-N 3.02Å; I326-K328 PolarHBondContact O-N 3.04Å; I326-V329 PolarHBondContact O-N 3.24Å; I326-V329 VanDerWaalsContact O-N 3.08Å; I326-W330 PolarHBondContact O-N 3.09Å
327	A	95.8	Very high	97	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-40.6	179.3	0	0	0	0	0	112.2	L256 Y323 I324 W330 D331 I332 V334	L256-A327 HydrophobicContact CD2-CB 4.07Å; Y323-A327 PolarHBondContact O-N 2.86Å; Y323-A327 VanDerWaalsContact O-N 3.12Å; I324-A327 PolarHBondContact O-N 3.36Å; A327-W330 PolarHBondContact O-N 2.92Å; A327-D331 PolarHBondContact O-N 3.08Å; A327-I332 HydrophobicContact CB-CD1 4.45Å; A327-I332 HydrophobicContact CB-CG1 3.88Å; A327-I332 PolarHBondContact O-N 2.66Å; A327-V334 HydrophobicContact CB-CB 3.83Å; A327-V334 HydrophobicContact CB-CG1 4.25Å
328	K	95.8	Very high	97	Very high	176 Å²	176	53.5 Å²	53.5	77%	0.765	26%	0.261	S	S	*	.	H	α-helix	trans	-65.8	-39.5	176	-169.8	176.8	-177.9	176	0	113.3	I324 K325 I326 D331	I324-K328 PolarHBondContact O-N 3.41Å; K325-K328 PolarHBondContact O-N 3.4Å; I326-K328 PolarHBondContact O-N 3.04Å; K328-D331 PolarHBondContact O-N 3.44Å
329	V	96.1	Very high	97.1	Very high	118 Å²	118	48.2 Å²	48.2	72%	0.715	24%	0.237	S	C	*	.	H	α-helix	trans	-67.2	-38.8	178.3	167.8	0	0	0	0	111.4	K325 I326 D331	K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.79Å; I326-V329 PolarHBondContact O-N 3.24Å; I326-V329 VanDerWaalsContact O-N 3.08Å; V329-D331 VanDerWaalsContact C-N 3.33Å
330	W	95.6	Very high	97.1	Very high	117 Å²	117	52.1 Å²	52.1	44%	0.443	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.7	179.9	-72.1	91	0	0	0	114	I302 I326 A327 I332	I302-W330 HydrophobicContact CG2-CB 3.78Å; I302-W330 HydrophobicContact CG2-CD2 3.77Å; I302-W330 HydrophobicContact CG2-CE3 4.09Å; I302-W330 HydrophobicContact CG2-CG 3.63Å; I326-W330 PolarHBondContact O-N 3.09Å; A327-W330 PolarHBondContact O-N 2.92Å; W330-I332 VanDerWaalsContact C-N 3.28Å; W330-I332 HydrophobicContact CB-CG1 4.45Å; W330-I332 HydrophobicContact CB-CG2 4.38Å; W330-I332 PolarHBondContact O-N 2.98Å
331	D	95.5	Very high	97	Very high	153 Å²	153	52.4 Å²	52.4	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.3	-176.7	-163.5	38.1	0	0	0	113.5	A327 K328 V329	A327-D331 PolarHBondContact O-N 3.08Å; K328-D331 PolarHBondContact O-N 3.44Å; V329-D331 VanDerWaalsContact C-N 3.33Å
332	I	96.4	Very high	96.9	Very high	25 Å²	25	52.8 Å²	52.8	13%	0.128	26%	0.258	C	S	.	.			trans	-109.1	148.8	175.7	63.4	164.4	0	0	0	111.1	L256 I302 A327 W330	L256-I332 HydrophobicContact CB-CD1 4.09Å; I302-I332 HydrophobicContact CD1-CD1 3.5Å; I302-I332 VanDerWaalsContact CD1-CD1 3.5Å; I302-I332 HydrophobicContact CG1-CD1 3.73Å; I302-I332 HydrophobicContact CG2-CD1 3.99Å; A327-I332 HydrophobicContact CB-CD1 4.45Å; A327-I332 HydrophobicContact CB-CG1 3.88Å; A327-I332 PolarHBondContact O-N 2.66Å; W330-I332 VanDerWaalsContact C-N 3.28Å; W330-I332 HydrophobicContact CB-CG1 4.45Å; W330-I332 HydrophobicContact CB-CG2 4.38Å; W330-I332 PolarHBondContact O-N 2.98Å
333	P	96.8	Very high	96.8	Very high	43 Å²	43	50.6 Å²	50.6	28%	0.279	25%	0.251	S	S	.	.			trans	-65.4	142.5	174	24	-30.6	0	0	0	111.7	E255 L256 Q385	E255-P333 WeakPolarHBondContact CA-O 3.29Å; E255-P333 HydrophobicContact CB-CG 3.74Å; L256-P333 PolarHBondContact N-O 3.33Å; P333-Q385 HydrophobicContact CB-CB 4.39Å
334	V	97.7	Very high	96.8	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	172.3	62.9	0	0	0	0	110.4	L256 L258 I324 A327 G383 Y384 Q385	L256-V334 HydrophobicContact CB-CB 4.4Å; L256-V334 HydrophobicContact CB-CG2 4.2Å; L256-V334 HydrophobicContact CD2-CG2 4.11Å; L256-V334 HydrophobicContact CG-CG2 4.13Å; L256-V334 CarbonylContact O-C 3.48Å; L256-V334 VanDerWaalsContact O-CA 3.24Å; L256-V334 WeakPolarHBondContact O-CA 3.34Å; L258-V334 HydrophobicContact CD1-CG2 4.42Å; L258-V334 HydrophobicContact CG-CG2 4.18Å; I324-V334 HydrophobicContact CG1-CG1 4.36Å; I324-V334 HydrophobicContact CG1-CG2 4.34Å; I324-V334 HydrophobicContact CG2-CG1 4.43Å; A327-V334 HydrophobicContact CB-CB 3.83Å; A327-V334 HydrophobicContact CB-CG1 4.25Å; V334-G383 WeakPolarHBondContact CG1-O 3.15Å; V334-Y384 HydrophobicContact CG1-CD1 4.17Å; V334-Y384 HydrophobicContact CG2-CD1 4.05Å; V334-Y384 HydrophobicContact CG2-CE1 4.12Å; V334-Y384 CarbonylContact O-C 3.55Å; V334-Y384 WeakPolarHBondContact O-CA 3.5Å; V334-Q385 PolarHBondContact O-N 3.15Å
335	K	97.9	Very high	96.7	Very high	34 Å²	34	52 Å²	52	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.8	178.7	-62.5	175.1	179.5	159.2	0	110.2	E255 L256 I257 L258 F337 E386	E255-K335 IonicContact OE1-NZ 3.44Å; E255-K335 PolarHBondContact OE1-NZ 3.32Å; E255-K335 IonicContact OE2-NZ 3.85Å; E255-K335 PolarHBondContact OE2-NZ 2.6Å; L256-K335 PolarHBondContact O-N 2.83Å; I257-K335 WeakPolarHBondContact CA-O 3.29Å; I257-K335 HydrophobicContact CG1-CB 4.33Å; L258-K335 PolarHBondContact N-O 2.79Å; K335-F337 HydrophobicContact CB-CE1 4.21Å; K335-F337 HydrophobicContact CD-CE1 4.49Å; K335-E386 CarbonylContact C-O 3.27Å; K335-E386 WeakPolarHBondContact CA-O 3.36Å; K335-E386 HydrophobicContact CG-CB 4.16Å
336	C	98.5	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.2	175.5	-174.2	0	0	0	0	110.7	L258 V260 Y384 E386 I387 I388	L258-C336 WeakPolarHBondContact O-CA 3.07Å; V260-C336 VanDerWaalsContact CG2-SG 3.5Å; C336-Y384 HydrophobicContact CB-CD1 3.69Å; C336-Y384 HydrophobicContact CB-CD2 4.09Å; C336-Y384 HydrophobicContact CB-CE1 3.64Å; C336-Y384 HydrophobicContact CB-CE2 4.05Å; C336-Y384 HydrophobicContact CB-CG 3.93Å; C336-E386 PolarHBondContact N-O 3.43Å; C336-I387 HydrophobicContact CB-CG1 4.08Å; C336-I387 HydrophobicContact CB-CG2 4.33Å; C336-I387 CarbonylContact O-C 3.57Å; C336-I387 WeakPolarHBondContact O-CA 3.38Å; C336-I388 PolarHBondContact O-N 2.92Å
337	F	98.5	Very high	96.8	Very high	3 Å²	3	46 Å²	46	1%	0.013	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108.9	177	-78.7	21.6	0	0	0	109.3	I248 I257 L258 M259 V260 F270 L275 K335 I388 I390	I248-F337 HydrophobicContact CD1-CE2 3.62Å; I248-F337 HydrophobicContact CD1-CZ 4.15Å; I248-F337 HydrophobicContact CG1-CE2 4.19Å; I248-F337 HydrophobicContact CG1-CZ 4.22Å; I257-F337 HydrophobicContact CD1-CE1 4.26Å; I257-F337 HydrophobicContact CD1-CE2 3.93Å; I257-F337 HydrophobicContact CD1-CZ 3.77Å; I257-F337 HydrophobicContact CG2-CB 4.07Å; I257-F337 HydrophobicContact CG2-CD1 3.94Å; I257-F337 HydrophobicContact CG2-CD2 3.9Å; I257-F337 HydrophobicContact CG2-CE1 4.33Å; I257-F337 HydrophobicContact CG2-CE2 4.31Å; I257-F337 HydrophobicContact CG2-CG 3.7Å; L258-F337 PolarHBondContact O-N 3.44Å; M259-F337 CarbonylContact C-O 3.54Å; M259-F337 WeakPolarHBondContact CA-O 3.1Å; M259-F337 HydrophobicContact CE-CB 4.01Å; M259-F337 HydrophobicContact SD-CB 3.59Å; M259-F337 VanDerWaalsContact SD-CB 3.59Å; M259-F337 HydrophobicContact SD-CD2 4.1Å; M259-F337 HydrophobicContact SD-CG 4.28Å; V260-F337 PolarHBondContact N-O 2.9Å; F270-F337 AromaticContact CE1-CD2 3.8Å; F270-F337 HydrophobicContact CE1-CD2 3.8Å; F270-F337 HydrophobicContact CE1-CE2 4.15Å; F270-F337 HydrophobicContact CZ-CD2 4.18Å; F270-F337 HydrophobicContact CZ-CE2 4.26Å; L275-F337 HydrophobicContact CD2-CE2 4.15Å; K335-F337 HydrophobicContact CB-CE1 4.21Å; K335-F337 HydrophobicContact CD-CE1 4.49Å; F337-I388 CarbonylContact C-O 3.57Å; F337-I388 WeakPolarHBondContact CA-O 3.13Å; F337-I388 HydrophobicContact CD1-CB 3.89Å; F337-I388 HydrophobicContact CD1-CD1 4.27Å; F337-I388 HydrophobicContact CD1-CG1 4.19Å; F337-I388 HydrophobicContact CE1-CB 3.99Å; F337-I388 HydrophobicContact CE1-CD1 3.47Å; F337-I388 VanDerWaalsContact CE1-CD1 3.47Å; F337-I388 HydrophobicContact CE1-CG1 3.86Å; F337-I388 HydrophobicContact CZ-CD1 3.88Å; F337-I390 HydrophobicContact CB-CD1 4.38Å; F337-I390 HydrophobicContact CB-CG1 4.03Å; F337-I390 HydrophobicContact CD2-CD1 3.79Å; F337-I390 HydrophobicContact CD2-CG1 4.19Å; F337-I390 HydrophobicContact CE2-CD1 4.3Å; F337-I390 HydrophobicContact CG-CD1 4.15Å; F337-I390 HydrophobicContact CG-CG1 4.34Å
338	I	98.3	Very high	96.8	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.092	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.5	-176.3	-54.1	174.3	0	0	0	109.3	V260 E340 P378 I387 I388 T389 I390	V260-I338 HydrophobicContact CB-CG1 4.33Å; I338-E340 PolarHBondContact O-N 2.89Å; I338-P378 HydrophobicContact CD1-CB 4.15Å; I338-P378 HydrophobicContact CD1-CG 3.83Å; I338-P378 HydrophobicContact CG1-CG 4.1Å; I338-I387 HydrophobicContact CD1-CG2 3.48Å; I338-I387 VanDerWaalsContact CD1-CG2 3.48Å; I338-I387 HydrophobicContact CG1-CG2 4.08Å; I338-I388 PolarHBondContact N-O 3.1Å; I338-T389 HydrophobicContact CB-CG2 4.5Å; I338-T389 CarbonylContact O-C 3.6Å; I338-T389 VanDerWaalsContact O-CA 3.32Å; I338-T389 WeakPolarHBondContact O-CA 3.5Å; I338-I390 PolarHBondContact O-N 3.48Å
339	M	98	Very high	96.8	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.3	172	-59	-59.6	-60.5	0	0	110.4	M259 V260 S265 K267 T341 I390	M259-M339 HydrophobicContact CE-CG 4.45Å; M259-M339 HydrophobicContact CE-SD 3.68Å; V260-M339 PolarHBondContact O-N 2.8Å; S265-M339 WeakPolarHBondContact O-CE 3.24Å; K267-M339 HydrophobicContact CD-CG 4.17Å; K267-M339 HydrophobicContact CG-CG 3.34Å; K267-M339 HydrophobicContact CG-SD 3.94Å; M339-T341 PolarHBondContact O-N 2.78Å; M339-I390 HydrophobicContact CE-CB 4.39Å; M339-I390 HydrophobicContact CE-CG2 4.05Å; M339-I390 HydrophobicContact SD-CB 3.82Å; M339-I390 HydrophobicContact SD-CG1 4.35Å; M339-I390 HydrophobicContact SD-CG2 3.93Å
340	E	96.3	Very high	96.9	Very high	108 Å²	108	33 Å²	33	51%	0.505	17%	0.166	S	C	.	.			trans	-75.3	-14.1	176.8	-63.6	-175.5	169	0	0	113	I338 S342 T389 I390 P391	I338-E340 PolarHBondContact O-N 2.89Å; E340-S342 PolarHBondContact O-N 2.99Å; E340-S342 VanDerWaalsContact O-N 3.09Å; E340-T389 WeakPolarHBondContact OE1-CB 3.46Å; E340-T389 PolarHBondContact OE1-OG1 2.85Å; E340-I390 PolarHBondContact N-O 3.27Å; E340-P391 WeakPolarHBondContact OE2-CA 3.37Å; E340-P391 WeakPolarHBondContact OE2-CB 3.18Å
341	T	96.4	Very high	96.9	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.037	15%	0.148	C	C	.	.			trans	-54.4	116.3	177.8	-49.3	0	0	0	0	111.1	S265 M339 H345 A346	S265-T341 PolarHBondContact O-OG1 3.17Å; M339-T341 PolarHBondContact O-N 2.78Å; T341-H345 HydrophobicContact CG2-CB 3.74Å; T341-A346 HydrophobicContact CG2-CB 4.26Å
342	S	95.8	Very high	96.9	Very high	50 Å²	50	22.2 Å²	22.2	35%	0.35	11%	0.114	S	C	.	.			trans	-64.1	165.1	178.5	69.7	0	0	0	0	112	E340 E344 H345 A346	E340-S342 PolarHBondContact O-N 2.99Å; E340-S342 VanDerWaalsContact O-N 3.09Å; S342-E344 VanDerWaalsContact C-N 3.3Å; S342-E344 PolarHBondContact O-N 3.31Å; S342-H345 PolarHBondContact O-N 2.86Å; S342-H345 WeakPolarHBondContact OG-CB 3.33Å; S342-H345 PolarHBondContact OG-N 2.8Å; S342-H345 VanDerWaalsContact OG-N 3.16Å; S342-A346 WeakPolarHBondContact O-CB 3.39Å; S342-A346 PolarHBondContact O-N 3.05Å
343	M	95.8	Very high	96.8	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-46.8	174.9	-173.5	-172.5	73.8	0	0	110.6	Y262 H345 A346 Q347 Y368 K372	Y262-M343 HydrophobicContact CD1-CG 4.33Å; Y262-M343 HydrophobicContact CD2-CB 4.16Å; Y262-M343 HydrophobicContact CE1-CB 4.15Å; Y262-M343 HydrophobicContact CE1-CG 4.06Å; Y262-M343 HydrophobicContact CE2-CB 3.75Å; M343-H345 VanDerWaalsContact C-N 3.33Å; M343-H345 PolarHBondContact O-N 3.4Å; M343-A346 PolarHBondContact O-N 3.36Å; M343-Q347 VanDerWaalsContact O-CG 3.22Å; M343-Q347 WeakPolarHBondContact O-CG 3.47Å; M343-Q347 PolarHBondContact O-N 3.21Å; M343-Y368 HydrophobicContact CG-CD1 3.98Å; M343-Y368 HydrophobicContact CG-CG 4.45Å; M343-K372 HydrophobicContact CE-CD 4.37Å; M343-K372 HydrophobicContact SD-CB 4.17Å; M343-K372 HydrophobicContact SD-CD 3.8Å
344	E	95.9	Very high	96.7	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.192	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-39.7	-179	-65.9	82.7	173.8	0	0	111.7	K228 F229 S342 Q347 H348	K228-E344 HydrophobicContact CB-CG 4.29Å; K228-E344 HydrophobicContact CD-CG 4.42Å; K228-E344 WeakPolarHBondContact CD-OE1 2.75Å; K228-E344 IonicContact NZ-OE1 3.46Å; K228-E344 PolarHBondContact NZ-OE1 3.19Å; F229-E344 HydrophobicContact CB-CB 3.94Å; S342-E344 VanDerWaalsContact C-N 3.3Å; S342-E344 PolarHBondContact O-N 3.31Å; E344-Q347 PolarHBondContact O-N 3.12Å; E344-H348 PolarHBondContact O-N 3.42Å
345	H	96.8	Very high	96.5	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-69.7	-40.7	174.6	-171.3	177.1	0	0	0	112.1	F229 T341 S342 M343 Q347 H348 N349 F392 Y404	F229-H345 HydrophobicContact CD1-CB 4.45Å; F229-H345 HydrophobicContact CD2-CB 3.67Å; F229-H345 AromaticContact CD2-CG 3.76Å; F229-H345 AromaticContact CE1-CD2 3.8Å; F229-H345 HydrophobicContact CE2-CB 3.87Å; F229-H345 AromaticContact CE2-CD2 3.53Å; F229-H345 AromaticContact CE2-CE1 3.67Å; F229-H345 AromaticContact CE2-CG 3.38Å; F229-H345 AromaticContact CE2-ND1 3.51Å; F229-H345 AromaticContact CE2-NE2 3.73Å; F229-H345 HydrophobicContact CG-CB 3.99Å; F229-H345 HydrophobicContact CZ-CB 4.34Å; F229-H345 AromaticContact CZ-CD2 3.29Å; F229-H345 WeakPolarHBondContact CZ-CD2 3.27Å; F229-H345 AromaticContact CZ-CE1 3.9Å; F229-H345 AromaticContact CZ-CG 3.68Å; F229-H345 AromaticContact CZ-NE2 3.47Å; F229-H345 WeakPolarHBondContact CZ-NE2 3.07Å; T341-H345 HydrophobicContact CG2-CB 3.74Å; S342-H345 PolarHBondContact O-N 2.86Å; S342-H345 WeakPolarHBondContact OG-CB 3.33Å; S342-H345 PolarHBondContact OG-N 2.8Å; S342-H345 VanDerWaalsContact OG-N 3.16Å; M343-H345 VanDerWaalsContact C-N 3.33Å; M343-H345 PolarHBondContact O-N 3.4Å; H345-Q347 VanDerWaalsContact C-N 3.27Å; H345-Q347 PolarHBondContact O-N 3.13Å; H345-H348 VanDerWaalsContact O-CB 3.32Å; H345-H348 WeakPolarHBondContact O-CB 3.3Å; H345-H348 PolarHBondContact O-N 3.5Å; H345-H348 VanDerWaalsContact O-N 3.1Å; H345-N349 PolarHBondContact CD2-OD1 3.37Å; H345-N349 PolarHBondContact O-N 3.15Å; H345-N349 PolarHBondContact O-OD1 2.72Å; H345-F392 AromaticContact CE1-CD1 3.29Å; H345-F392 WeakPolarHBondContact CE1-CD1 3.46Å; H345-F392 AromaticContact CE1-CD2 3.65Å; H345-F392 AromaticContact CE1-CE1 3.61Å; H345-F392 AromaticContact CE1-CE2 3.96Å; H345-F392 AromaticContact CE1-CG 3.29Å; H345-F392 WeakPolarHBondContact CE1-CG 3.3Å; H345-F392 AromaticContact CE1-CZ 3.95Å; H345-F392 AromaticContact NE2-CD1 3.85Å; H345-F392 AromaticContact NE2-CD2 3.91Å; H345-F392 AromaticContact NE2-CE1 3.69Å; H345-F392 AromaticContact NE2-CE2 3.76Å; H345-F392 AromaticContact NE2-CG 3.95Å; H345-F392 AromaticContact NE2-CZ 3.66Å; H345-Y404 PolarHBondContact NE2-OH 3.43Å
346	A	97.3	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-37.7	174.6	0	0	0	0	0	112.2	P263 A264 T341 S342 M343 H348 N349 E350 Y368	P263-A346 WeakPolarHBondContact O-CB 3.47Å; A264-A346 WeakPolarHBondContact CB-O 3.3Å; T341-A346 HydrophobicContact CG2-CB 4.26Å; S342-A346 WeakPolarHBondContact O-CB 3.39Å; S342-A346 PolarHBondContact O-N 3.05Å; M343-A346 PolarHBondContact O-N 3.36Å; A346-H348 VanDerWaalsContact C-N 3.34Å; A346-N349 WeakPolarHBondContact O-CB 3.38Å; A346-N349 PolarHBondContact O-N 2.81Å; A346-E350 WeakPolarHBondContact O-CB 3.32Å; A346-E350 PolarHBondContact O-N 2.93Å; A346-Y368 HydrophobicContact CB-CE1 4.01Å
347	Q	96.8	Very high	96	Very high	21 Å²	21	30.4 Å²	30.4	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-35.2	173.9	-69.4	-177.9	-43.2	0	0	112.9	M343 E344 H345 E350 R351 Y368 L409	M343-Q347 VanDerWaalsContact O-CG 3.22Å; M343-Q347 WeakPolarHBondContact O-CG 3.47Å; M343-Q347 PolarHBondContact O-N 3.21Å; E344-Q347 PolarHBondContact O-N 3.12Å; H345-Q347 VanDerWaalsContact C-N 3.27Å; H345-Q347 PolarHBondContact O-N 3.13Å; Q347-E350 PolarHBondContact O-N 3.41Å; Q347-R351 WeakPolarHBondContact O-CB 3.29Å; Q347-R351 PolarHBondContact O-N 3.26Å; Q347-Y368 HydrophobicContact CG-CD1 3.75Å; Q347-Y368 HydrophobicContact CG-CD2 3.84Å; Q347-Y368 HydrophobicContact CG-CE1 3.76Å; Q347-Y368 HydrophobicContact CG-CE2 3.84Å; Q347-Y368 HydrophobicContact CG-CG 3.79Å; Q347-L409 HydrophobicContact CB-CD1 3.74Å
348	H	97.3	Very high	95.4	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-45.2	171.5	178.8	94.4	0	0	0	111.4	F229 E344 H345 A346 E350 R351 F352 Y404 K406 L408 L409	F229-H348 HydrophobicContact CD1-CB 3.8Å; F229-H348 AromaticContact CD1-CG 3.94Å; F229-H348 HydrophobicContact CE1-CB 3.73Å; F229-H348 AromaticContact CE1-CD2 3.64Å; F229-H348 AromaticContact CE1-CG 3.47Å; F229-H348 VanDerWaalsContact CE1-CG 3.47Å; F229-H348 AromaticContact CE1-ND1 3.8Å; E344-H348 PolarHBondContact O-N 3.42Å; H345-H348 VanDerWaalsContact O-CB 3.32Å; H345-H348 WeakPolarHBondContact O-CB 3.3Å; H345-H348 PolarHBondContact O-N 3.5Å; H345-H348 VanDerWaalsContact O-N 3.1Å; A346-H348 VanDerWaalsContact C-N 3.34Å; H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 2.91Å; H348-R351 PolarHBondContact O-N 3.42Å; H348-F352 PolarHBondContact O-N 2.61Å; H348-Y404 AromaticContact CD2-CE2 3.83Å; H348-Y404 AromaticContact CD2-CZ 3.86Å; H348-Y404 PolarHBondContact CE1-O 2.91Å; H348-Y404 AromaticContact NE2-CE2 3.99Å; H348-Y404 PolarHBondContact NE2-O 3.48Å; H348-K406 PolarHBondContact CE1-O 3.08Å; H348-K406 VanDerWaalsContact CE1-O 3.22Å; H348-L408 VanDerWaalsContact CE1-CG 3.47Å; H348-L408 WeakPolarHBondContact CE1-CG 3.48Å; H348-L409 HydrophobicContact CB-CD1 4.47Å
349	N	96.3	Very high	94.9	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-44	174.8	-67.6	-7.7	0	0	0	112	A264 H345 A346 R351 F352 R353 Y404	A264-N349 HydrophobicContact CB-CB 4.14Å; A264-N349 WeakPolarHBondContact O-CB 3.34Å; A264-N349 PolarHBondContact O-ND2 3.28Å; H345-N349 PolarHBondContact CD2-OD1 3.37Å; H345-N349 PolarHBondContact O-N 3.15Å; H345-N349 PolarHBondContact O-OD1 2.72Å; A346-N349 WeakPolarHBondContact O-CB 3.38Å; A346-N349 PolarHBondContact O-N 2.81Å; N349-R351 VanDerWaalsContact C-N 3.35Å; N349-F352 PolarHBondContact O-N 3.24Å; N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.17Å; N349-R353 PolarHBondContact O-N 3.12Å; N349-Y404 WeakPolarHBondContact OD1-CE2 3.31Å; N349-Y404 PolarHBondContact OD1-OH 3.01Å
350	E	96.2	Very high	94.5	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-46.1	176.5	173.8	55.7	-156.6	0	0	111.5	A264 A346 Q347 H348 F352 R353 A354 H360 Q362 I363 Y368	A264-E350 HydrophobicContact CB-CB 3.8Å; A346-E350 WeakPolarHBondContact O-CB 3.32Å; A346-E350 PolarHBondContact O-N 2.93Å; Q347-E350 PolarHBondContact O-N 3.41Å; H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 2.91Å; E350-F352 VanDerWaalsContact C-N 3.34Å; E350-F352 PolarHBondContact O-N 2.87Å; E350-R353 PolarHBondContact O-N 3.38Å; E350-A354 WeakPolarHBondContact O-CB 3.11Å; E350-A354 PolarHBondContact O-N 3.28Å; E350-H360 IonicContact OE1-CD2 3.78Å; E350-H360 PolarHBondContact OE1-CD2 3.11Å; E350-H360 IonicContact OE1-CE1 3.76Å; E350-H360 IonicContact OE1-NE2 3.66Å; E350-H360 PolarHBondContact OE1-NE2 3.45Å; E350-H360 IonicContact OE2-CE1 2.73Å; E350-H360 PolarHBondContact OE2-CE1 2.72Å; E350-H360 IonicContact OE2-NE2 3.76Å; E350-H360 PolarHBondContact OE2-NE2 2.86Å; E350-Q362 WeakPolarHBondContact OE1-CA 3.43Å; E350-I363 HydrophobicContact CG-CB 4.06Å; E350-I363 HydrophobicContact CG-CG1 4.47Å; E350-I363 PolarHBondContact OE1-N 3.29Å; E350-I363 WeakPolarHBondContact OE2-CD1 3.36Å; E350-Y368 VanDerWaalsContact CB-OH 3.32Å; E350-Y368 WeakPolarHBondContact CB-OH 3.47Å; E350-Y368 HydrophobicContact CG-CE2 4.49Å
351	R	96	Very high	93.9	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-41.4	177.7	-177.4	57.2	176.8	154	3.3	111.6	N145 D146 Q347 H348 N349 A354 L355 L408 L409	N145-R351 PolarHBondContact ND2-NH1 2.76Å; N145-R351 PolarHBondContact O-NH1 3.24Å; N145-R351 PolarHBondContact O-NH2 2.83Å; N145-R351 PolarHBondContact OD1-NH2 2.94Å; D146-R351 PolarHBondContact O-NH2 2.82Å; Q347-R351 WeakPolarHBondContact O-CB 3.29Å; Q347-R351 PolarHBondContact O-N 3.26Å; H348-R351 PolarHBondContact O-N 3.42Å; N349-R351 VanDerWaalsContact C-N 3.35Å; R351-A354 PolarHBondContact O-N 2.99Å; R351-L355 HydrophobicContact CG-CD1 4.17Å; R351-L355 VanDerWaalsContact O-CG 3.32Å; R351-L355 WeakPolarHBondContact O-CG 3.39Å; R351-L355 PolarHBondContact O-N 2.81Å; R351-L355 VanDerWaalsContact O-N 3.15Å; R351-L408 HydrophobicContact CB-CB 4.2Å; R351-L408 HydrophobicContact CG-CB 3.64Å; R351-L409 HydrophobicContact CB-CD2 3.92Å; R351-L409 HydrophobicContact CG-CD2 4.12Å
352	F	96.3	Very high	93.6	Very high	21 Å²	21	51 Å²	51	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-48.9	174.3	177.1	-99.8	0	0	0	111.5	H348 N349 E350 A354 L355 T356 M398 N400 L403 Y404 L408	H348-F352 PolarHBondContact O-N 2.61Å; N349-F352 PolarHBondContact O-N 3.24Å; E350-F352 VanDerWaalsContact C-N 3.34Å; E350-F352 PolarHBondContact O-N 2.87Å; F352-A354 VanDerWaalsContact C-N 3.31Å; F352-A354 PolarHBondContact O-N 2.88Å; F352-L355 WeakPolarHBondContact O-CB 3.45Å; F352-L355 PolarHBondContact O-N 2.84Å; F352-T356 HydrophobicContact CD2-CG2 4.14Å; F352-T356 HydrophobicContact CE1-CG2 4.19Å; F352-T356 HydrophobicContact CE2-CG2 3.7Å; F352-T356 HydrophobicContact CZ-CG2 3.72Å; F352-T356 PolarHBondContact O-N 3.29Å; F352-T356 PolarHBondContact O-OG1 3.28Å; F352-M398 HydrophobicContact CD1-CE 4.23Å; F352-M398 HydrophobicContact CE1-CE 3.36Å; F352-M398 HydrophobicContact CE2-CE 3.97Å; F352-M398 HydrophobicContact CZ-CE 3.2Å; F352-N400 HydrophobicContact CE2-CB 3.94Å; F352-N400 HydrophobicContact CZ-CB 3.99Å; F352-L403 HydrophobicContact CD2-CD2 4.25Å; F352-L403 HydrophobicContact CD2-CG 4.25Å; F352-L403 HydrophobicContact CE2-CB 4.38Å; F352-L403 HydrophobicContact CE2-CD2 4.15Å; F352-L403 HydrophobicContact CE2-CG 4.26Å; F352-Y404 HydrophobicContact CB-CD2 3.95Å; F352-Y404 HydrophobicContact CB-CE2 4.29Å; F352-Y404 AromaticContact CD1-CD2 3.85Å; F352-Y404 HydrophobicContact CD1-CD2 3.85Å; F352-Y404 HydrophobicContact CD1-CE2 4.4Å; F352-Y404 AromaticContact CD2-CD2 3.68Å; F352-Y404 HydrophobicContact CD2-CD2 3.68Å; F352-Y404 HydrophobicContact CD2-CG 4.29Å; F352-Y404 HydrophobicContact CE1-CD2 4.25Å; F352-Y404 HydrophobicContact CE2-CD2 4.08Å; F352-Y404 HydrophobicContact CE2-CG 4.42Å; F352-Y404 AromaticContact CG-CD2 3.55Å; F352-Y404 HydrophobicContact CG-CD2 3.55Å; F352-Y404 HydrophobicContact CG-CE2 4.25Å; F352-Y404 HydrophobicContact CZ-CD2 4.35Å; F352-L408 HydrophobicContact CB-CD1 3.73Å; F352-L408 HydrophobicContact CD2-CD1 4.33Å
353	R	94.4	Very high	93.3	Very high	88 Å²	88	51.1 Å²	51.1	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-41.9	177.1	-71.4	173.1	-177	-156	-1.9	112.1	N349 E350 L355 T356 N357	N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.17Å; N349-R353 PolarHBondContact O-N 3.12Å; E350-R353 PolarHBondContact O-N 3.38Å; R353-L355 PolarHBondContact O-N 3.08Å; R353-T356 PolarHBondContact O-N 2.8Å; R353-N357 WeakPolarHBondContact O-CA 3.44Å; R353-N357 WeakPolarHBondContact O-CB 3.29Å; R353-N357 PolarHBondContact O-N 3.47Å
354	A	94	Very high	93.1	Very high	27 Å²	27	53 Å²	53	22%	0.223	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-21.4	176.9	0	0	0	0	0	113.6	E350 R351 F352 Q362	E350-A354 WeakPolarHBondContact O-CB 3.11Å; E350-A354 PolarHBondContact O-N 3.28Å; R351-A354 PolarHBondContact O-N 2.99Å; F352-A354 VanDerWaalsContact C-N 3.31Å; F352-A354 PolarHBondContact O-N 2.88Å; A354-Q362 HydrophobicContact CB-CG 3.78Å
355	L	94.4	Very high	92.8	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-90.6	-29.6	177.4	-71.7	166.1	0	0	0	112.9	L152 R351 F352 R353 L403 L408	L152-L355 HydrophobicContact CD1-CD1 4.35Å; L152-L355 HydrophobicContact CD2-CD1 3.56Å; L152-L355 HydrophobicContact CD2-CD2 4.43Å; R351-L355 HydrophobicContact CG-CD1 4.17Å; R351-L355 VanDerWaalsContact O-CG 3.32Å; R351-L355 WeakPolarHBondContact O-CG 3.39Å; R351-L355 PolarHBondContact O-N 2.81Å; R351-L355 VanDerWaalsContact O-N 3.15Å; F352-L355 WeakPolarHBondContact O-CB 3.45Å; F352-L355 PolarHBondContact O-N 2.84Å; R353-L355 PolarHBondContact O-N 3.08Å; L355-L403 HydrophobicContact CB-CD2 4.41Å; L355-L408 HydrophobicContact CD1-CD2 4.2Å
356	T	94.3	Very high	92.6	Very high	56 Å²	56	62 Å²	62	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-108.8	-15.7	-172.8	56.9	0	0	0	0	114.3	F352 R353 N400 L403	F352-T356 HydrophobicContact CD2-CG2 4.14Å; F352-T356 HydrophobicContact CE1-CG2 4.19Å; F352-T356 HydrophobicContact CE2-CG2 3.7Å; F352-T356 HydrophobicContact CZ-CG2 3.72Å; F352-T356 PolarHBondContact O-N 3.29Å; F352-T356 PolarHBondContact O-OG1 3.28Å; R353-T356 PolarHBondContact O-N 2.8Å; T356-N400 HydrophobicContact CG2-CB 4.18Å; T356-L403 HydrophobicContact CG2-CD2 3.86Å
357	N	91.1	Very high	92.4	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.364	34%	0.339	S	S	.	.			trans	-124.3	106.2	178.4	-178.2	-2.1	0	0	0	110.6	R353 S359 H360	R353-N357 WeakPolarHBondContact O-CA 3.44Å; R353-N357 WeakPolarHBondContact O-CB 3.29Å; R353-N357 PolarHBondContact O-N 3.47Å; N357-S359 PolarHBondContact ND2-OG 3.33Å; N357-S359 PolarHBondContact O-N 3.1Å; N357-S359 WeakPolarHBondContact OD1-CB 3.45Å; N357-S359 PolarHBondContact OD1-N 3.02Å; N357-S359 PolarHBondContact OD1-OG 3.13Å; N357-H360 HydrophobicContact CB-CB 4.02Å; N357-H360 VanDerWaalsContact O-CB 3.26Å; N357-H360 WeakPolarHBondContact O-CB 3.39Å; N357-H360 PolarHBondContact O-N 2.82Å
358	S	85	Confident	92.3	Very high	134 Å²	134	63 Å²	63	94%	0.937	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.7	179.7	55.8	0	0	0	0	114.1
359	S	88.2	Confident	92.2	Very high	93 Å²	93	66.7 Å²	66.7	65%	0.65	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-9	176.9	71.7	0	0	0	0	113.5	N357 K361	N357-S359 PolarHBondContact ND2-OG 3.33Å; N357-S359 PolarHBondContact O-N 3.1Å; N357-S359 WeakPolarHBondContact OD1-CB 3.45Å; N357-S359 PolarHBondContact OD1-N 3.02Å; N357-S359 PolarHBondContact OD1-OG 3.13Å; S359-K361 PolarHBondContact O-N 3.49Å
360	H	89	Confident	92.1	Very high	45 Å²	45	70.7 Å²	70.7	21%	0.208	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.7	123.3	-173.6	-174.8	68.8	0	0	0	112.1	E350 N357	E350-H360 IonicContact OE1-CD2 3.78Å; E350-H360 PolarHBondContact OE1-CD2 3.11Å; E350-H360 IonicContact OE1-CE1 3.76Å; E350-H360 IonicContact OE1-NE2 3.66Å; E350-H360 PolarHBondContact OE1-NE2 3.45Å; E350-H360 IonicContact OE2-CE1 2.73Å; E350-H360 PolarHBondContact OE2-CE1 2.72Å; E350-H360 IonicContact OE2-NE2 3.76Å; E350-H360 PolarHBondContact OE2-NE2 2.86Å; N357-H360 HydrophobicContact CB-CB 4.02Å; N357-H360 VanDerWaalsContact O-CB 3.26Å; N357-H360 WeakPolarHBondContact O-CB 3.39Å; N357-H360 PolarHBondContact O-N 2.82Å
361	K	85.4	Confident	92	Very high	188 Å²	188	71.9 Å²	71.9	82%	0.817	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-83.8	118.1	176.2	-68	-177.8	-178.3	175.7	0	110	S359 I363	S359-K361 PolarHBondContact O-N 3.49Å; K361-I363 PolarHBondContact O-N 3.42Å
362	Q	88.1	Confident	92	Very high	124 Å²	124	75.9 Å²	75.9	58%	0.579	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-59.4	132.1	-177.7	-76.6	-174.7	-0.5	0	0	113.1	E350 A354	E350-Q362 WeakPolarHBondContact OE1-CA 3.43Å; A354-Q362 HydrophobicContact CB-CG 3.78Å
363	I	91.5	Very high	91.9	Very high	52 Å²	52	79.7 Å²	79.7	27%	0.267	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-89.5	120.8	173.8	-54.8	178.3	0	0	0	109.1	P263 E350 K361 V367 Y368	P263-I363 HydrophobicContact CB-CD1 3.51Å; P263-I363 HydrophobicContact CB-CG2 4.5Å; E350-I363 HydrophobicContact CG-CB 4.06Å; E350-I363 HydrophobicContact CG-CG1 4.47Å; E350-I363 PolarHBondContact OE1-N 3.29Å; E350-I363 WeakPolarHBondContact OE2-CD1 3.36Å; K361-I363 PolarHBondContact O-N 3.42Å; I363-V367 HydrophobicContact CG2-CB 3.92Å; I363-V367 HydrophobicContact CG2-CG1 4.01Å; I363-V367 HydrophobicContact CG2-CG2 4.33Å; I363-Y368 HydrophobicContact CB-CE2 4.08Å; I363-Y368 HydrophobicContact CG2-CD2 4.21Å; I363-Y368 HydrophobicContact CG2-CE2 3.64Å
364	S	90.2	Very high	91.9	Very high	56 Å²	56	80.5 Å²	80.5	39%	0.392	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-70.8	151.3	-177.6	75.9	0	0	0	0	113.2	M366 V367	S364-M366 PolarHBondContact O-N 3.48Å; S364-M366 VanDerWaalsContact O-N 3.14Å; S364-V367 WeakPolarHBondContact O-CB 3.31Å; S364-V367 PolarHBondContact O-N 3.21Å
365	Q	90.4	Very high	92	Very high	95 Å²	95	83.1 Å²	83.1	44%	0.444	44%	0.438	S	S	.	.	H	α-helix	trans	-53.3	-33.2	173.1	-177.1	63.6	47.8	0	0	113.2	V367 Y368 N369	Q365-V367 VanDerWaalsContact C-N 3.26Å; Q365-V367 PolarHBondContact O-N 3.37Å; Q365-Y368 PolarHBondContact O-N 2.86Å; Q365-N369 PolarHBondContact NE2-OD1 3.01Å; Q365-N369 PolarHBondContact O-N 3.06Å
366	M	92	Very high	92.2	Very high	146 Å²	146	85.6 Å²	85.6	72%	0.719	45%	0.449	S	S	*	.	H	α-helix	trans	-61.9	-34.9	179.2	-71.6	-175.2	-83.1	0	0	112	S364 N369 M370	S364-M366 PolarHBondContact O-N 3.48Å; S364-M366 VanDerWaalsContact O-N 3.14Å; M366-N369 PolarHBondContact O-N 3.13Å; M366-M370 WeakPolarHBondContact O-CB 3.46Å; M366-M370 PolarHBondContact O-N 3.47Å
367	V	93.9	Very high	92.3	Very high	39 Å²	39	90.3 Å²	90.3	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-64.6	-46.3	176.7	177.6	0	0	0	0	110.5	P263 I363 S364 Q365 N369 M370 M371	P263-V367 HydrophobicContact CG-CG1 4.39Å; I363-V367 HydrophobicContact CG2-CB 3.92Å; I363-V367 HydrophobicContact CG2-CG1 4.01Å; I363-V367 HydrophobicContact CG2-CG2 4.33Å; S364-V367 WeakPolarHBondContact O-CB 3.31Å; S364-V367 PolarHBondContact O-N 3.21Å; Q365-V367 VanDerWaalsContact C-N 3.26Å; Q365-V367 PolarHBondContact O-N 3.37Å; V367-N369 PolarHBondContact O-N 3.49Å; V367-M370 PolarHBondContact O-N 3.38Å; V367-M371 HydrophobicContact CG1-CE 3.67Å; V367-M371 HydrophobicContact CG1-CG 4.49Å; V367-M371 HydrophobicContact CG1-SD 3.99Å; V367-M371 WeakPolarHBondContact O-CB 3.22Å; V367-M371 WeakPolarHBondContact O-CG 3.33Å; V367-M371 PolarHBondContact O-N 3.42Å
368	Y	95.1	Very high	92.6	Very high	3 Å²	3	87.2 Å²	87.2	1%	0.012	45%	0.448	C	S	.	.	H	α-helix	trans	-60.6	-44.6	176.8	-72.8	-81.3	0	0	0	112.1	Y262 P263 M343 A346 Q347 E350 I363 Q365 M370 M371 K372	Y262-Y368 HydrophobicContact CD1-CD1 4.21Å; P263-Y368 PolarHBondContact O-OH 3.45Å; M343-Y368 HydrophobicContact CG-CD1 3.98Å; M343-Y368 HydrophobicContact CG-CG 4.45Å; A346-Y368 HydrophobicContact CB-CE1 4.01Å; Q347-Y368 HydrophobicContact CG-CD1 3.75Å; Q347-Y368 HydrophobicContact CG-CD2 3.84Å; Q347-Y368 HydrophobicContact CG-CE1 3.76Å; Q347-Y368 HydrophobicContact CG-CE2 3.84Å; Q347-Y368 HydrophobicContact CG-CG 3.79Å; E350-Y368 VanDerWaalsContact CB-OH 3.32Å; E350-Y368 WeakPolarHBondContact CB-OH 3.47Å; E350-Y368 HydrophobicContact CG-CE2 4.49Å; I363-Y368 HydrophobicContact CB-CE2 4.08Å; I363-Y368 HydrophobicContact CG2-CD2 4.21Å; I363-Y368 HydrophobicContact CG2-CE2 3.64Å; Q365-Y368 PolarHBondContact O-N 2.86Å; Y368-M370 PolarHBondContact O-N 3.47Å; Y368-M371 PolarHBondContact O-N 2.91Å; Y368-K372 WeakPolarHBondContact O-CB 3.25Å; Y368-K372 PolarHBondContact O-N 3.16Å
369	N	94.1	Very high	93.3	Very high	82 Å²	82	83.6 Å²	83.6	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-43.9	178.6	-67.3	-8.9	0	0	0	111.9	Q365 M366 V367 K372 S373	Q365-N369 PolarHBondContact NE2-OD1 3.01Å; Q365-N369 PolarHBondContact O-N 3.06Å; M366-N369 PolarHBondContact O-N 3.13Å; V367-N369 PolarHBondContact O-N 3.49Å; N369-K372 PolarHBondContact O-N 2.98Å; N369-S373 PolarHBondContact O-N 3.35Å; N369-S373 PolarHBondContact O-OG 3.32Å
370	M	94.8	Very high	93.7	Very high	94 Å²	94	84.1 Å²	84.1	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176.5	-173.5	-154.4	-39.1	0	0	111.8	M366 V367 Y368 S373 K374	M366-M370 WeakPolarHBondContact O-CB 3.46Å; M366-M370 PolarHBondContact O-N 3.47Å; V367-M370 PolarHBondContact O-N 3.38Å; Y368-M370 PolarHBondContact O-N 3.47Å; M370-S373 PolarHBondContact O-N 3.08Å; M370-S373 PolarHBondContact O-OG 2.77Å; M370-K374 WeakPolarHBondContact O-CG 3.12Å; M370-K374 PolarHBondContact O-N 3.26Å; M370-K374 VanDerWaalsContact O-N 3.08Å
371	M	94.3	Very high	94.1	Very high	34 Å²	34	90.7 Å²	90.7	17%	0.167	45%	0.445	C	S	.	.	H	α-helix	trans	-68.3	-37.2	179.3	-73.7	-178	177.4	0	0	111.9	Y262 P263 T313 M315 V367 Y368 S373 K374 Y375	Y262-M371 HydrophobicContact CD1-CB 4.29Å; Y262-M371 HydrophobicContact CE1-CB 4.27Å; P263-M371 WeakPolarHBondContact CD-SD 3.27Å; P263-M371 HydrophobicContact CG-CE 3.68Å; P263-M371 HydrophobicContact CG-SD 3.36Å; P263-M371 WeakPolarHBondContact CG-SD 3.24Å; T313-M371 HydrophobicContact CG2-CE 3.84Å; T313-M371 HydrophobicContact CG2-SD 4.03Å; M315-M371 HydrophobicContact CE-CB 4.18Å; M315-M371 HydrophobicContact CG-CB 4.09Å; M315-M371 HydrophobicContact CG-CG 4.19Å; V367-M371 HydrophobicContact CG1-CE 3.67Å; V367-M371 HydrophobicContact CG1-CG 4.49Å; V367-M371 HydrophobicContact CG1-SD 3.99Å; V367-M371 WeakPolarHBondContact O-CB 3.22Å; V367-M371 WeakPolarHBondContact O-CG 3.33Å; V367-M371 PolarHBondContact O-N 3.42Å; Y368-M371 PolarHBondContact O-N 2.91Å; M371-S373 VanDerWaalsContact C-N 3.35Å; M371-K374 PolarHBondContact O-N 2.94Å; M371-Y375 PolarHBondContact O-N 3.34Å
372	K	94.7	Very high	94.7	Very high	106 Å²	106	83.1 Å²	83.1	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-42	172.9	-178.1	176.7	179.7	175.6	0	111.9	Y262 M343 Y368 N369 K374 Y375	Y262-K372 HydrophobicContact CE1-CB 4.32Å; M343-K372 HydrophobicContact CE-CD 4.37Å; M343-K372 HydrophobicContact SD-CB 4.17Å; M343-K372 HydrophobicContact SD-CD 3.8Å; Y368-K372 WeakPolarHBondContact O-CB 3.25Å; Y368-K372 PolarHBondContact O-N 3.16Å; N369-K372 PolarHBondContact O-N 2.98Å; K372-K374 VanDerWaalsContact C-N 3.3Å; K372-K374 PolarHBondContact O-N 3.2Å; K372-Y375 PolarHBondContact O-N 3.12Å
373	S	95	Very high	95.1	Very high	100 Å²	100	79.4 Å²	79.4	70%	0.699	41%	0.407	S	S	*	.	H	α-helix	trans	-69.7	-27.6	177.7	57.3	0	0	0	0	113.6	N369 M370 M371	N369-S373 PolarHBondContact O-N 3.35Å; N369-S373 PolarHBondContact O-OG 3.32Å; M370-S373 PolarHBondContact O-N 3.08Å; M370-S373 PolarHBondContact O-OG 2.77Å; M371-S373 VanDerWaalsContact C-N 3.35Å
374	K	94.6	Very high	95.4	Very high	105 Å²	105	77.3 Å²	77.3	46%	0.457	40%	0.396	S	S	.	.	H	α-helix	trans	-87.4	-8.9	177.6	-72.9	-173.5	173.3	-163.5	0	113.9	M370 M371 K372 E376	M370-K374 WeakPolarHBondContact O-CG 3.12Å; M370-K374 PolarHBondContact O-N 3.26Å; M370-K374 VanDerWaalsContact O-N 3.08Å; M371-K374 PolarHBondContact O-N 2.94Å; K372-K374 VanDerWaalsContact C-N 3.3Å; K372-K374 PolarHBondContact O-N 3.2Å; K374-E376 PolarHBondContact O-N 3.49Å
375	Y	96.8	Very high	95.7	Very high	83 Å²	83	80.4 Å²	80.4	33%	0.325	40%	0.404	S	S	.	.			trans	-68	118.6	-172.9	-178.7	-110.8	0	0	0	111.1	V260 M315 M371 K372 K377	V260-Y375 HydrophobicContact CG1-CE2 3.94Å; M315-Y375 HydrophobicContact CE-CD2 3.46Å; M315-Y375 VanDerWaalsContact CE-CD2 3.46Å; M315-Y375 HydrophobicContact CE-CE2 4.41Å; M315-Y375 HydrophobicContact CE-CG 3.92Å; M315-Y375 WeakPolarHBondContact O-CA 3.42Å; M315-Y375 HydrophobicContact SD-CD2 4.26Å; M371-Y375 PolarHBondContact O-N 3.34Å; K372-Y375 PolarHBondContact O-N 3.12Å; Y375-K377 HydrophobicContact CE1-CB 4.27Å
376	E	97.6	Very high	96	Very high	95 Å²	95	80 Å²	80	44%	0.444	40%	0.402	S	S	.	.			trans	-115.1	119.9	169.8	-66.2	175.6	-95.4	0	0	107.8	M315 L317 R320 K374 P378	M315-E376 PolarHBondContact O-N 3.06Å; L317-E376 PolarHBondContact N-OE1 2.8Å; R320-E376 PolarHBondContact NH1-O 3.31Å; R320-E376 PolarHBondContact NH2-O 3.02Å; K374-E376 PolarHBondContact O-N 3.49Å; E376-P378 WeakPolarHBondContact O-CD 3.33Å
377	K	96.8	Very high	96.3	Very high	154 Å²	154	75.4 Å²	75.4	67%	0.67	38%	0.38	S	S	*	.			trans	-59.9	124.6	-178.9	-178.9	178.1	174.3	179.7	0	109.5	Y375	Y375-K377 HydrophobicContact CE1-CB 4.27Å
378	P	98.1	Very high	96.4	Very high	4 Å²	4	74.7 Å²	74.7	3%	0.026	38%	0.375	C	S	.	.			trans	-56.8	138.1	177.1	-26.2	34.5	0	0	0	112.9	V260 I338 E376 E382 Y384 I387	V260-P378 HydrophobicContact CB-CG 4.46Å; V260-P378 HydrophobicContact CG1-CG 4.21Å; V260-P378 HydrophobicContact CG2-CG 4.03Å; I338-P378 HydrophobicContact CD1-CB 4.15Å; I338-P378 HydrophobicContact CD1-CG 3.83Å; I338-P378 HydrophobicContact CG1-CG 4.1Å; E376-P378 WeakPolarHBondContact O-CD 3.33Å; P378-E382 VanDerWaalsContact CA-OE1 3.28Å; P378-E382 WeakPolarHBondContact CA-OE1 3.45Å; P378-Y384 HydrophobicContact CB-CE2 4.04Å; P378-I387 HydrophobicContact CB-CD1 4.25Å
379	T	98	Very high	96.5	Very high	58 Å²	58	78 Å²	78	36%	0.356	40%	0.395	S	S	.	.			trans	-126.6	155.5	176.7	69.9	0	0	0	0	111.7	E381 E382 Y384	T379-E381 PolarHBondContact O-N 3.36Å; T379-E382 PolarHBondContact N-OE1 3.18Å; T379-E382 WeakPolarHBondContact O-CB 3.29Å; T379-E382 WeakPolarHBondContact O-CG 3.5Å; T379-E382 PolarHBondContact O-N 3.22Å; T379-E382 VanDerWaalsContact O-N 3.12Å; T379-Y384 VanDerWaalsContact O-CD2 3.3Å; T379-Y384 WeakPolarHBondContact O-CD2 3.39Å
380	M	97.7	Very high	96.7	Very high	103 Å²	103	74.1 Å²	74.1	51%	0.507	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-59.8	-27.3	177.8	-65.9	-61.7	-69.9	0	0	112.5	E382 G383 Y384 Q385 I387	M380-E382 PolarHBondContact O-N 2.71Å; M380-G383 PolarHBondContact O-N 3.13Å; M380-Y384 WeakPolarHBondContact CE-O 3.49Å; M380-Q385 WeakPolarHBondContact CE-O 3.48Å; M380-I387 HydrophobicContact CG-CD1 4.36Å; M380-I387 HydrophobicContact SD-CD1 3.98Å; M380-I387 HydrophobicContact SD-CG1 3.83Å
381	E	97.2	Very high	96.8	Very high	183 Å²	183	70.3 Å²	70.3	86%	0.855	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.8	177.8	-63.6	166.6	178.7	0	0	113.2	T379 G383	T379-E381 PolarHBondContact O-N 3.36Å; E381-G383 PolarHBondContact O-N 2.8Å
382	E	97.6	Very high	96.8	Very high	30 Å²	30	70.7 Å²	70.7	14%	0.14	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-65.9	-22.4	173.4	-61.7	-174.9	-148.3	0	0	112.2	L317 R320 I324 P378 T379 M380 Y384	L317-E382 HydrophobicContact CD1-CB 4.43Å; L317-E382 VanDerWaalsContact CD1-CD 3.46Å; L317-E382 HydrophobicContact CD1-CG 3.54Å; R320-E382 IonicContact CZ-OE1 2.71Å; R320-E382 IonicContact CZ-OE2 2.72Å; R320-E382 IonicContact NE-OE1 3.86Å; R320-E382 PolarHBondContact NE-OE1 3.18Å; R320-E382 IonicContact NE-OE2 3.89Å; R320-E382 PolarHBondContact NE-OE2 2.91Å; R320-E382 IonicContact NH2-OE1 3.95Å; R320-E382 PolarHBondContact NH2-OE1 3.25Å; R320-E382 IonicContact NH2-OE2 3.72Å; I324-E382 HydrophobicContact CD1-CB 3.84Å; I324-E382 WeakPolarHBondContact CG2-O 3.23Å; P378-E382 VanDerWaalsContact CA-OE1 3.28Å; P378-E382 WeakPolarHBondContact CA-OE1 3.45Å; T379-E382 PolarHBondContact N-OE1 3.18Å; T379-E382 WeakPolarHBondContact O-CB 3.29Å; T379-E382 WeakPolarHBondContact O-CG 3.5Å; T379-E382 PolarHBondContact O-N 3.22Å; T379-E382 VanDerWaalsContact O-N 3.12Å; M380-E382 PolarHBondContact O-N 2.71Å; E382-Y384 HydrophobicContact CB-CD2 4.02Å; E382-Y384 HydrophobicContact CB-CE2 3.6Å; E382-Y384 HydrophobicContact CG-CE2 4.1Å; E382-Y384 VanDerWaalsContact OE2-CE2 3.32Å; E382-Y384 WeakPolarHBondContact OE2-CE2 3.5Å; E382-Y384 PolarHBondContact OE2-OH 3.46Å
383	G	96.9	Very high	96.7	Very high	45 Å²	45	69.4 Å²	69.4	46%	0.464	36%	0.355	S	S	.	.	S	Bend	trans	113.9	15.8	-179.5	0	0	0	0	0	114.9	V334 M380 E381	V334-G383 WeakPolarHBondContact CG1-O 3.15Å; M380-G383 PolarHBondContact O-N 3.13Å; E381-G383 PolarHBondContact O-N 2.8Å
384	Y	97.7	Very high	96.6	Very high	9 Å²	9	65.6 Å²	65.6	4%	0.035	33%	0.327	C	S	.	.			trans	-71.8	141.7	175	-58.3	-67.3	0	0	0	111.8	L258 R320 I324 V334 C336 P378 T379 M380 E382 I387	L258-Y384 HydrophobicContact CD1-CE1 4.03Å; L258-Y384 HydrophobicContact CG-CE1 4.49Å; R320-Y384 WeakPolarHBondContact CB-OH 3.49Å; R320-Y384 WeakPolarHBondContact CD-OH 3.22Å; I324-Y384 HydrophobicContact CD1-CE1 4.05Å; I324-Y384 HydrophobicContact CD1-CE2 4.39Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.3Å; I324-Y384 HydrophobicContact CG1-CE1 4.13Å; V334-Y384 HydrophobicContact CG1-CD1 4.17Å; V334-Y384 HydrophobicContact CG2-CD1 4.05Å; V334-Y384 HydrophobicContact CG2-CE1 4.12Å; V334-Y384 CarbonylContact O-C 3.55Å; V334-Y384 WeakPolarHBondContact O-CA 3.5Å; C336-Y384 HydrophobicContact CB-CD1 3.69Å; C336-Y384 HydrophobicContact CB-CD2 4.09Å; C336-Y384 HydrophobicContact CB-CE1 3.64Å; C336-Y384 HydrophobicContact CB-CE2 4.05Å; C336-Y384 HydrophobicContact CB-CG 3.93Å; P378-Y384 HydrophobicContact CB-CE2 4.04Å; T379-Y384 VanDerWaalsContact O-CD2 3.3Å; T379-Y384 WeakPolarHBondContact O-CD2 3.39Å; M380-Y384 WeakPolarHBondContact CE-O 3.49Å; E382-Y384 HydrophobicContact CB-CD2 4.02Å; E382-Y384 HydrophobicContact CB-CE2 3.6Å; E382-Y384 HydrophobicContact CG-CE2 4.1Å; E382-Y384 VanDerWaalsContact OE2-CE2 3.32Å; E382-Y384 WeakPolarHBondContact OE2-CE2 3.5Å; E382-Y384 PolarHBondContact OE2-OH 3.46Å; Y384-I387 HydrophobicContact CD2-CD1 3.95Å; Y384-I387 HydrophobicContact CD2-CG1 3.99Å; Y384-I387 HydrophobicContact CG-CG1 4.21Å
385	Q	96.5	Very high	96.4	Very high	121 Å²	121	63.8 Å²	63.8	57%	0.565	32%	0.322	S	S	*	.	S	Bend	trans	-73.4	-34.1	164.8	-173.4	-177.4	25.7	0	0	111.2	P333 V334 M380	P333-Q385 HydrophobicContact CB-CB 4.39Å; V334-Q385 PolarHBondContact O-N 3.15Å; M380-Q385 WeakPolarHBondContact CE-O 3.48Å
386	E	96.5	Very high	96.1	Very high	85 Å²	85	65.3 Å²	65.3	40%	0.397	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.3	-177.3	-166	178.8	-172.5	0	0	110.9	K335 C336 I388	K335-E386 CarbonylContact C-O 3.27Å; K335-E386 WeakPolarHBondContact CA-O 3.36Å; K335-E386 HydrophobicContact CG-CB 4.16Å; C336-E386 PolarHBondContact N-O 3.43Å; E386-I388 VanDerWaalsContact CD-CD1 3.49Å; E386-I388 HydrophobicContact CG-CD1 4.21Å; E386-I388 HydrophobicContact CG-CG1 3.73Å; E386-I388 WeakPolarHBondContact OE1-CD1 3.37Å
387	I	98	Very high	95.8	Very high	51 Å²	51	67.9 Å²	67.9	26%	0.262	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.5	170.6	-57.6	178	0	0	0	107.7	C336 I338 P378 M380 Y384	C336-I387 HydrophobicContact CB-CG1 4.08Å; C336-I387 HydrophobicContact CB-CG2 4.33Å; C336-I387 CarbonylContact O-C 3.57Å; C336-I387 WeakPolarHBondContact O-CA 3.38Å; I338-I387 HydrophobicContact CD1-CG2 3.48Å; I338-I387 VanDerWaalsContact CD1-CG2 3.48Å; I338-I387 HydrophobicContact CG1-CG2 4.08Å; P378-I387 HydrophobicContact CB-CD1 4.25Å; M380-I387 HydrophobicContact CG-CD1 4.36Å; M380-I387 HydrophobicContact SD-CD1 3.98Å; M380-I387 HydrophobicContact SD-CG1 3.83Å; Y384-I387 HydrophobicContact CD2-CD1 3.95Å; Y384-I387 HydrophobicContact CD2-CG1 3.99Å; Y384-I387 HydrophobicContact CG-CG1 4.21Å
388	I	97.3	Very high	95.5	Very high	24 Å²	24	62.6 Å²	62.6	12%	0.123	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.6	-178.1	-52.5	-172.6	0	0	0	108.9	P246 C336 F337 I338 E386 I390	P246-I388 HydrophobicContact CB-CG2 3.9Å; P246-I388 HydrophobicContact CG-CG2 3.7Å; C336-I388 PolarHBondContact O-N 2.92Å; F337-I388 CarbonylContact C-O 3.57Å; F337-I388 WeakPolarHBondContact CA-O 3.13Å; F337-I388 HydrophobicContact CD1-CB 3.89Å; F337-I388 HydrophobicContact CD1-CD1 4.27Å; F337-I388 HydrophobicContact CD1-CG1 4.19Å; F337-I388 HydrophobicContact CE1-CB 3.99Å; F337-I388 HydrophobicContact CE1-CD1 3.47Å; F337-I388 VanDerWaalsContact CE1-CD1 3.47Å; F337-I388 HydrophobicContact CE1-CG1 3.86Å; F337-I388 HydrophobicContact CZ-CD1 3.88Å; I338-I388 PolarHBondContact N-O 3.1Å; E386-I388 VanDerWaalsContact CD-CD1 3.49Å; E386-I388 HydrophobicContact CG-CD1 4.21Å; E386-I388 HydrophobicContact CG-CG1 3.73Å; E386-I388 WeakPolarHBondContact OE1-CD1 3.37Å; I388-I390 HydrophobicContact CG2-CD1 4.07Å
389	T	97.2	Very high	95.2	Very high	71 Å²	71	69.9 Å²	69.9	44%	0.436	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	169.4	62.1	0	0	0	0	110.8	I338 E340	I338-T389 HydrophobicContact CB-CG2 4.5Å; I338-T389 CarbonylContact O-C 3.6Å; I338-T389 VanDerWaalsContact O-CA 3.32Å; I338-T389 WeakPolarHBondContact O-CA 3.5Å; E340-T389 WeakPolarHBondContact OE1-CB 3.46Å; E340-T389 PolarHBondContact OE1-OG1 2.85Å
390	I	97.6	Very high	95.1	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.8	-179	-51.7	-56.3	0	0	0	108	L245 P246 F270 F337 I338 M339 E340 I388	L245-I390 HydrophobicContact CD2-CG2 4.12Å; P246-I390 HydrophobicContact CG-CD1 3.64Å; F270-I390 HydrophobicContact CD2-CG2 3.73Å; F270-I390 HydrophobicContact CE1-CD1 4.35Å; F270-I390 HydrophobicContact CE1-CG1 4.43Å; F270-I390 HydrophobicContact CE2-CD1 4.3Å; F270-I390 HydrophobicContact CE2-CG2 3.69Å; F270-I390 HydrophobicContact CG-CG2 4.21Å; F270-I390 HydrophobicContact CZ-CD1 3.81Å; F270-I390 HydrophobicContact CZ-CG1 4.25Å; F270-I390 HydrophobicContact CZ-CG2 4.14Å; F337-I390 HydrophobicContact CB-CD1 4.38Å; F337-I390 HydrophobicContact CB-CG1 4.03Å; F337-I390 HydrophobicContact CD2-CD1 3.79Å; F337-I390 HydrophobicContact CD2-CG1 4.19Å; F337-I390 HydrophobicContact CE2-CD1 4.3Å; F337-I390 HydrophobicContact CG-CD1 4.15Å; F337-I390 HydrophobicContact CG-CG1 4.34Å; I338-I390 PolarHBondContact O-N 3.48Å; M339-I390 HydrophobicContact CE-CB 4.39Å; M339-I390 HydrophobicContact CE-CG2 4.05Å; M339-I390 HydrophobicContact SD-CB 3.82Å; M339-I390 HydrophobicContact SD-CG1 4.35Å; M339-I390 HydrophobicContact SD-CG2 3.93Å; E340-I390 PolarHBondContact N-O 3.27Å; I388-I390 HydrophobicContact CG2-CD1 4.07Å
391	P	96	Very high	94.9	Very high	14 Å²	14	67.5 Å²	67.5	9%	0.091	35%	0.346	C	S	.	.			trans	-67.7	154.1	178.7	28.3	-34	0	0	0	110.7	K244 L245 E340	K244-P391 WeakPolarHBondContact O-CG 3.13Å; L245-P391 HydrophobicContact CD2-CG 4.48Å; E340-P391 WeakPolarHBondContact OE2-CA 3.37Å; E340-P391 WeakPolarHBondContact OE2-CB 3.18Å
392	F	94.8	Very high	94.8	Very high	42 Å²	42	63.2 Å²	63.2	18%	0.184	34%	0.336	C	S	.	.			trans	-76.3	125.5	167.2	-179.1	-87	0	0	0	109.4	L234 H345 L394 Y404	L234-F392 HydrophobicContact CD1-CE1 4.09Å; L234-F392 HydrophobicContact CD2-CD1 4.34Å; L234-F392 HydrophobicContact CD2-CE1 4.46Å; H345-F392 AromaticContact CE1-CD1 3.29Å; H345-F392 WeakPolarHBondContact CE1-CD1 3.46Å; H345-F392 AromaticContact CE1-CD2 3.65Å; H345-F392 AromaticContact CE1-CE1 3.61Å; H345-F392 AromaticContact CE1-CE2 3.96Å; H345-F392 AromaticContact CE1-CG 3.29Å; H345-F392 WeakPolarHBondContact CE1-CG 3.3Å; H345-F392 AromaticContact CE1-CZ 3.95Å; H345-F392 AromaticContact NE2-CD1 3.85Å; H345-F392 AromaticContact NE2-CD2 3.91Å; H345-F392 AromaticContact NE2-CE1 3.69Å; H345-F392 AromaticContact NE2-CE2 3.76Å; H345-F392 AromaticContact NE2-CG 3.95Å; H345-F392 AromaticContact NE2-CZ 3.66Å; F392-L394 HydrophobicContact CE1-CB 4.12Å; F392-L394 HydrophobicContact CE1-CD1 4.49Å; F392-Y404 HydrophobicContact CZ-CE1 4.29Å; F392-Y404 AromaticContact CZ-CZ 3.92Å; F392-Y404 WeakPolarHBondContact CZ-OH 3.07Å
393	I	92.5	Very high	94.7	Very high	79 Å²	79	63.5 Å²	63.5	41%	0.405	34%	0.338	S	S	.	.			trans	-115.4	123.3	172.9	-56.6	-168.6	0	0	0	108.9	L245 D395	L245-I393 HydrophobicContact CB-CD1 4.47Å; L245-I393 HydrophobicContact CD2-CD1 3.84Å; L245-I393 HydrophobicContact CD2-CG1 4.25Å; L245-I393 HydrophobicContact CG-CD1 3.6Å; L245-I393 HydrophobicContact CG-CG1 4.5Å; I393-D395 PolarHBondContact O-N 3.39Å
394	L	92.9	Very high	94.7	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.11	32%	0.317	C	S	.	.			trans	-72	122	174.9	-179.8	62.7	0	0	0	109.9	L234 L235 F392 K396 M398 L401 Y404	L234-L394 HydrophobicContact CB-CD2 3.86Å; L234-L394 HydrophobicContact CD1-CD1 4.5Å; L234-L394 HydrophobicContact CD1-CD2 4.49Å; L235-L394 HydrophobicContact CD2-CD2 3.74Å; L235-L394 HydrophobicContact CG-CD2 4.46Å; F392-L394 HydrophobicContact CE1-CB 4.12Å; F392-L394 HydrophobicContact CE1-CD1 4.49Å; L394-K396 PolarHBondContact O-N 2.94Å; L394-K396 VanDerWaalsContact O-N 3.15Å; L394-M398 HydrophobicContact CD1-SD 3.81Å; L394-L401 HydrophobicContact CD1-CD1 4.02Å; L394-L401 HydrophobicContact CD2-CD1 3.96Å; L394-L401 HydrophobicContact CG-CD1 4.21Å; L394-Y404 HydrophobicContact CD1-CD1 3.75Å; L394-Y404 HydrophobicContact CD1-CE1 3.7Å
395	D	90.3	Very high	94.6	Very high	66 Å²	66	62 Å²	62	35%	0.353	32%	0.321	S	S	.	.			trans	-74.6	100.5	167	-175.9	-4.1	0	0	0	109	I393 N397 M398	I393-D395 PolarHBondContact O-N 3.39Å; D395-N397 PolarHBondContact O-N 3.38Å; D395-N397 VanDerWaalsContact O-N 3.12Å; D395-N397 WeakPolarHBondContact OD1-CB 3.25Å; D395-N397 PolarHBondContact OD1-N 3.46Å; D395-M398 HydrophobicContact CB-CB 4.3Å; D395-M398 VanDerWaalsContact O-CB 3.31Å; D395-M398 WeakPolarHBondContact O-CB 3.49Å; D395-M398 WeakPolarHBondContact O-CG 3.34Å; D395-M398 PolarHBondContact O-N 3.02Å
396	K	90.3	Very high	94.6	Very high	115 Å²	115	58.5 Å²	58.5	50%	0.5	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11	-179.7	-65.4	-175.3	177.4	-175.6	0	113.3	L394	L394-K396 PolarHBondContact O-N 2.94Å; L394-K396 VanDerWaalsContact O-N 3.15Å
397	N	91.9	Very high	94.7	Very high	150 Å²	150	54.9 Å²	54.9	80%	0.802	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.6	175.7	-57.5	-48.4	0	0	0	112.5	D395	D395-N397 PolarHBondContact O-N 3.38Å; D395-N397 VanDerWaalsContact O-N 3.12Å; D395-N397 WeakPolarHBondContact OD1-CB 3.25Å; D395-N397 PolarHBondContact OD1-N 3.46Å
398	M	90.7	Very high	94.7	Very high	42 Å²	42	52.6 Å²	52.6	21%	0.207	28%	0.275	C	S	.	.			trans	-63.4	142.7	-179	71.9	-179	-79	0	0	111.9	F352 L394 D395 L401 Y404	F352-M398 HydrophobicContact CD1-CE 4.23Å; F352-M398 HydrophobicContact CE1-CE 3.36Å; F352-M398 HydrophobicContact CE2-CE 3.97Å; F352-M398 HydrophobicContact CZ-CE 3.2Å; L394-M398 HydrophobicContact CD1-SD 3.81Å; D395-M398 HydrophobicContact CB-CB 4.3Å; D395-M398 VanDerWaalsContact O-CB 3.31Å; D395-M398 WeakPolarHBondContact O-CB 3.49Å; D395-M398 WeakPolarHBondContact O-CG 3.34Å; D395-M398 PolarHBondContact O-N 3.02Å; M398-L401 HydrophobicContact CG-CB 4.05Å; M398-L401 HydrophobicContact CG-CD1 4.03Å; M398-L401 PolarHBondContact O-N 2.93Å; M398-L401 HydrophobicContact SD-CD1 4.23Å; M398-Y404 HydrophobicContact CE-CD2 3.74Å; M398-Y404 HydrophobicContact CE-CG 3.81Å; M398-Y404 HydrophobicContact SD-CD1 4.27Å; M398-Y404 HydrophobicContact SD-CD2 4.33Å; M398-Y404 HydrophobicContact SD-CG 3.99Å
399	E	92.6	Very high	94.6	Very high	158 Å²	158	53.9 Å²	53.9	74%	0.738	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	142.6	169	-156.4	-164.8	143.5	0	0	110.1	L401	E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3Å
400	N	94	Very high	94.3	Very high	67 Å²	67	52.9 Å²	52.9	36%	0.358	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	31.4	-179.9	-54.8	-72.2	0	0	0	114.1	F352 T356 S402 L403 Y404	F352-N400 HydrophobicContact CE2-CB 3.94Å; F352-N400 HydrophobicContact CZ-CB 3.99Å; T356-N400 HydrophobicContact CG2-CB 4.18Å; N400-S402 VanDerWaalsContact C-N 3.25Å; N400-S402 PolarHBondContact O-N 3.45Å; N400-L403 HydrophobicContact CB-CB 4.2Å; N400-L403 WeakPolarHBondContact O-CB 3.46Å; N400-L403 PolarHBondContact O-N 3.29Å; N400-Y404 PolarHBondContact O-N 3.4Å
401	L	95.1	Very high	93.7	Very high	43 Å²	43	60.7 Å²	60.7	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-50.9	-43.4	174.5	178.3	65	0	0	0	112.8	L394 M398 E399 L403 Y404 C405	L394-L401 HydrophobicContact CD1-CD1 4.02Å; L394-L401 HydrophobicContact CD2-CD1 3.96Å; L394-L401 HydrophobicContact CG-CD1 4.21Å; M398-L401 HydrophobicContact CG-CB 4.05Å; M398-L401 HydrophobicContact CG-CD1 4.03Å; M398-L401 PolarHBondContact O-N 2.93Å; M398-L401 HydrophobicContact SD-CD1 4.23Å; E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3Å; L401-L403 VanDerWaalsContact C-N 3.28Å; L401-L403 PolarHBondContact O-N 3.48Å; L401-Y404 WeakPolarHBondContact O-CB 3.45Å; L401-Y404 PolarHBondContact O-N 3.23Å; L401-Y404 VanDerWaalsContact O-N 3.1Å; L401-C405 PolarHBondContact O-N 2.93Å
402	S	94	Very high	93.6	Very high	94 Å²	94	63.1 Å²	63.1	66%	0.657	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-36.1	179	60.9	0	0	0	0	112.6	N400	N400-S402 VanDerWaalsContact C-N 3.25Å; N400-S402 PolarHBondContact O-N 3.45Å
403	L	96.3	Very high	93.5	Very high	35 Å²	35	64.2 Å²	64.2	18%	0.183	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-44.7	172.6	174.9	63.7	0	0	0	110.7	L152 F352 L355 T356 N400 L401 C405 K406 L408	L152-L403 HydrophobicContact CD2-CD1 3.64Å; F352-L403 HydrophobicContact CD2-CD2 4.25Å; F352-L403 HydrophobicContact CD2-CG 4.25Å; F352-L403 HydrophobicContact CE2-CB 4.38Å; F352-L403 HydrophobicContact CE2-CD2 4.15Å; F352-L403 HydrophobicContact CE2-CG 4.26Å; L355-L403 HydrophobicContact CB-CD2 4.41Å; T356-L403 HydrophobicContact CG2-CD2 3.86Å; N400-L403 HydrophobicContact CB-CB 4.2Å; N400-L403 WeakPolarHBondContact O-CB 3.46Å; N400-L403 PolarHBondContact O-N 3.29Å; L401-L403 VanDerWaalsContact C-N 3.28Å; L401-L403 PolarHBondContact O-N 3.48Å; L403-C405 PolarHBondContact O-N 3.24Å; L403-K406 WeakPolarHBondContact O-CB 3.42Å; L403-K406 PolarHBondContact O-N 3Å; L403-K406 VanDerWaalsContact O-N 3.08Å; L403-L408 HydrophobicContact CD1-CD2 3.79Å; L403-L408 HydrophobicContact CG-CD2 4.31Å
404	Y	96.7	Very high	93.6	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-31.5	-179.4	-170.7	-91.6	0	0	0	112.6	L234 H345 H348 N349 F352 F392 L394 M398 N400 L401 K406	L234-Y404 HydrophobicContact CD1-CD1 4.29Å; L234-Y404 HydrophobicContact CD1-CE1 3.53Å; H345-Y404 PolarHBondContact NE2-OH 3.43Å; H348-Y404 AromaticContact CD2-CE2 3.83Å; H348-Y404 AromaticContact CD2-CZ 3.86Å; H348-Y404 PolarHBondContact CE1-O 2.91Å; H348-Y404 AromaticContact NE2-CE2 3.99Å; H348-Y404 PolarHBondContact NE2-O 3.48Å; N349-Y404 WeakPolarHBondContact OD1-CE2 3.31Å; N349-Y404 PolarHBondContact OD1-OH 3.01Å; F352-Y404 HydrophobicContact CB-CD2 3.95Å; F352-Y404 HydrophobicContact CB-CE2 4.29Å; F352-Y404 AromaticContact CD1-CD2 3.85Å; F352-Y404 HydrophobicContact CD1-CD2 3.85Å; F352-Y404 HydrophobicContact CD1-CE2 4.4Å; F352-Y404 AromaticContact CD2-CD2 3.68Å; F352-Y404 HydrophobicContact CD2-CD2 3.68Å; F352-Y404 HydrophobicContact CD2-CG 4.29Å; F352-Y404 HydrophobicContact CE1-CD2 4.25Å; F352-Y404 HydrophobicContact CE2-CD2 4.08Å; F352-Y404 HydrophobicContact CE2-CG 4.42Å; F352-Y404 AromaticContact CG-CD2 3.55Å; F352-Y404 HydrophobicContact CG-CD2 3.55Å; F352-Y404 HydrophobicContact CG-CE2 4.25Å; F352-Y404 HydrophobicContact CZ-CD2 4.35Å; F392-Y404 HydrophobicContact CZ-CE1 4.29Å; F392-Y404 AromaticContact CZ-CZ 3.92Å; F392-Y404 WeakPolarHBondContact CZ-OH 3.07Å; L394-Y404 HydrophobicContact CD1-CD1 3.75Å; L394-Y404 HydrophobicContact CD1-CE1 3.7Å; M398-Y404 HydrophobicContact CE-CD2 3.74Å; M398-Y404 HydrophobicContact CE-CG 3.81Å; M398-Y404 HydrophobicContact SD-CD1 4.27Å; M398-Y404 HydrophobicContact SD-CD2 4.33Å; M398-Y404 HydrophobicContact SD-CG 3.99Å; N400-Y404 PolarHBondContact O-N 3.4Å; L401-Y404 WeakPolarHBondContact O-CB 3.45Å; L401-Y404 PolarHBondContact O-N 3.23Å; L401-Y404 VanDerWaalsContact O-N 3.1Å; Y404-K406 VanDerWaalsContact C-N 3.33Å; Y404-K406 PolarHBondContact O-N 3.41Å
405	C	95.5	Very high	93.6	Very high	15 Å²	15	65.8 Å²	65.8	10%	0.101	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.4	178.6	-67.4	0	0	0	0	115	I232 L235 L401 L403	I232-C405 WeakPolarHBondContact CG1-O 3.46Å; L235-C405 HydrophobicContact CD1-CB 3.96Å; L235-C405 WeakPolarHBondContact CD1-SG 3.39Å; L401-C405 PolarHBondContact O-N 2.93Å; L403-C405 PolarHBondContact O-N 3.24Å
406	K	96.9	Very high	93.8	Very high	48 Å²	48	65.8 Å²	65.8	21%	0.209	33%	0.33	C	S	.	.	S	Bend	trans	-90.3	154.8	170.8	-71.6	177.5	179	-179.1	0	110.9	T153 N203 P231 H348 L403 Y404 L408	T153-K406 HydrophobicContact CG2-CD 4.27Å; T153-K406 PolarHBondContact OG1-NZ 3.05Å; N203-K406 HydrophobicContact CB-CB 4.48Å; N203-K406 HydrophobicContact CB-CD 4.46Å; N203-K406 HydrophobicContact CB-CG 4.33Å; N203-K406 WeakPolarHBondContact OD1-CA 3.39Å; N203-K406 WeakPolarHBondContact OD1-CB 3.33Å; P231-K406 VanDerWaalsContact CG-C 3.48Å; P231-K406 WeakPolarHBondContact CG-O 3.5Å; H348-K406 PolarHBondContact CE1-O 3.08Å; H348-K406 VanDerWaalsContact CE1-O 3.22Å; L403-K406 WeakPolarHBondContact O-CB 3.42Å; L403-K406 PolarHBondContact O-N 3Å; L403-K406 VanDerWaalsContact O-N 3.08Å; Y404-K406 VanDerWaalsContact C-N 3.33Å; Y404-K406 PolarHBondContact O-N 3.41Å; K406-L408 HydrophobicContact CB-CD2 4.36Å; K406-L408 WeakPolarHBondContact O-CG 3.47Å; K406-L408 PolarHBondContact O-N 3.49Å
407	Y	97.9	Very high	94.1	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.035	32%	0.319	C	S	.	.			trans	-62.7	122	164	-69.8	-82.4	0	0	0	110.1	P151 L199 Q202 N203 M226 P227 N230 P231	P151-Y407 WeakPolarHBondContact CG-O 3.46Å; L199-Y407 HydrophobicContact CB-CG 4.35Å; L199-Y407 HydrophobicContact CD1-CD1 4.39Å; L199-Y407 HydrophobicContact CD1-CG 4.39Å; L199-Y407 HydrophobicContact CD2-CD1 3.79Å; L199-Y407 HydrophobicContact CD2-CD2 3.71Å; L199-Y407 HydrophobicContact CD2-CE1 3.94Å; L199-Y407 HydrophobicContact CD2-CE2 3.86Å; L199-Y407 HydrophobicContact CD2-CG 3.66Å; L199-Y407 HydrophobicContact CG-CG 4.33Å; Q202-Y407 HydrophobicContact CG-CE2 4.31Å; N203-Y407 PolarHBondContact ND2-N 3.28Å; N203-Y407 PolarHBondContact ND2-O 3.28Å; N203-Y407 PolarHBondContact OD1-N 3.06Å; M226-Y407 HydrophobicContact CE-CE2 4.15Å; M226-Y407 WeakPolarHBondContact CE-OH 3.45Å; P227-Y407 HydrophobicContact CB-CD1 4.49Å; P227-Y407 HydrophobicContact CB-CE1 4.25Å; P227-Y407 HydrophobicContact CG-CD1 4.07Å; P227-Y407 HydrophobicContact CG-CE1 4.01Å; N230-Y407 PolarHBondContact OD1-OH 3.41Å; P231-Y407 HydrophobicContact CG-CD1 4.22Å; P231-Y407 HydrophobicContact CG-CE1 4.47Å; P231-Y407 HydrophobicContact CG-CG 4.31Å
408	L	97.3	Very high	94.2	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	28%	0.284	C	S	.	.			trans	-104.6	-13.8	-179.7	-54.5	-179.8	0	0	0	113.1	L152 H348 R351 F352 L355 L403 K406	L152-L408 HydrophobicContact CD2-CD2 3.82Å; L152-L408 HydrophobicContact CG-CD2 4.25Å; H348-L408 VanDerWaalsContact CE1-CG 3.47Å; H348-L408 WeakPolarHBondContact CE1-CG 3.48Å; R351-L408 HydrophobicContact CB-CB 4.2Å; R351-L408 HydrophobicContact CG-CB 3.64Å; F352-L408 HydrophobicContact CB-CD1 3.73Å; F352-L408 HydrophobicContact CD2-CD1 4.33Å; L355-L408 HydrophobicContact CD1-CD2 4.2Å; L403-L408 HydrophobicContact CD1-CD2 3.79Å; L403-L408 HydrophobicContact CG-CD2 4.31Å; K406-L408 HydrophobicContact CB-CD2 4.36Å; K406-L408 WeakPolarHBondContact O-CG 3.47Å; K406-L408 PolarHBondContact O-N 3.49Å
409	L	95.3	Very high	94.5	Very high	51 Å²	51	57.4 Å²	57.4	27%	0.267	29%	0.29	S	S	.	.	S	Bend	trans	-115.1	147.7	-176.6	-61.3	173.9	0	0	0	110.1	L199 Q347 H348 R351 K411	L199-L409 WeakPolarHBondContact CD1-O 3.45Å; Q347-L409 HydrophobicContact CB-CD1 3.74Å; H348-L409 HydrophobicContact CB-CD1 4.47Å; R351-L409 HydrophobicContact CB-CD2 3.92Å; R351-L409 HydrophobicContact CG-CD2 4.12Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.25Å
410	E	92.6	Very high	94.7	Very high	49 Å²	49	49 Å²	49	23%	0.229	25%	0.253	C	S	.	.			trans	-80.3	-7.3	-176.3	-60.7	173.7	-162.4	0	0	113.9	R149 C195 A196	R149-E410 IonicContact CZ-OE1 3.61Å; R149-E410 IonicContact NE-OE1 2.87Å; R149-E410 PolarHBondContact NE-OE1 2.81Å; R149-E410 IonicContact NH2-OE1 3.55Å; R149-E410 PolarHBondContact NH2-OE1 2.8Å; R149-E410 IonicContact NH2-OE2 3.4Å; C195-E410 PolarHBondContact N-O 3.23Å; A196-E410 HydrophobicContact CB-CB 4.15Å; A196-E410 HydrophobicContact CB-CG 3.92Å
411	K	84.3	Confident	94.7	Very high	166 Å²	166	47.4 Å²	47.4	72%	0.722	24%	0.243	S	C	*	.			trans	-152.8	0	-172.5	-61.1	-177.5	-170.2	-178.5	0	113.1	H193 P227 L409	H193-K411 WeakPolarHBondContact O-CE 3.41Å; H193-K411 PolarHBondContact O-NZ 2.92Å; P227-K411 WeakPolarHBondContact CA-OXT 3.41Å; P227-K411 WeakPolarHBondContact CB-OXT 3.34Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.25Å

Retrieved 411 of 411 residues in 90.2 ms (Link to these results)

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