G4V910_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)

AlphaFold DB , UniProt , Accession G4V910, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 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	44.5	Very low	46.3	Very low	224 Å²	224	137.8 Å²	137.8	100%	1.103	72%	0.715	S	S	*	*				0	-21.8	0	-126.9	174.2	-157.7	0	0	114	S3	M1-S3 PolarHBondContact O-N 3.42Å
2	F	48	Very low	45.8	Very low	199 Å²	199	137.5 Å²	137.5	87%	0.873	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-6.3	-177	-90.2	-86.9	0	0	0	116.7
3	S	49.4	Very low	45.3	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-8.9	-176.9	-156.1	0	0	0	0	115.2	M1	M1-S3 PolarHBondContact O-N 3.42Å
4	Y	49	Very low	44.9	Very low	201 Å²	201	137.5 Å²	137.5	79%	0.788	73%	0.727	S	S	*	*	S	Bend	trans	-95.8	-16	-178.7	-88.9	-84.1	0	0	0	114
5	L	50.2	Low	44.5	Very low	145 Å²	145	135.2 Å²	135.2	76%	0.759	72%	0.721	S	S	*	*	H	α-helix	trans	-80.2	-23.8	-179.6	-119	86.4	0	0	0	113.6
6	L	48.3	Very low	44.3	Very low	131 Å²	131	132.1 Å²	132.1	69%	0.686	71%	0.713	S	S	*	*	H	α-helix	trans	-80.5	-20.7	-179.4	-117.3	112.1	0	0	0	113.6	S9	L6-S9 PolarHBondContact O-OG 3.04Å
7	L	46.6	Very low	44.1	Very low	118 Å²	118	132.5 Å²	132.5	62%	0.618	73%	0.726	S	S	*	*	H	α-helix	trans	-78.3	-26.2	176.2	-119.4	93.7	0	0	0	112.4	I11	L7-I11 WeakPolarHBondContact O-CG1 3.19Å
8	L	46.7	Very low	44	Very low	126 Å²	126	134.2 Å²	134.2	66%	0.66	73%	0.728	S	S	*	*	H	α-helix	trans	-78.2	-25.3	-177.9	-128.6	80.5	0	0	0	113.1
9	S	45.2	Very low	44.1	Very low	77 Å²	77	136.7 Å²	136.7	54%	0.538	74%	0.735	S	S	.	*	H	α-helix	trans	-80.4	-22.9	175.6	62	0	0	0	0	113.4	L6	L6-S9 PolarHBondContact O-OG 3.04Å
10	C	39.5	Very low	44.1	Very low	81 Å²	81	139.7 Å²	139.7	55%	0.547	74%	0.741	S	S	.	*	H	α-helix	trans	-84.6	-21.1	177.4	-69.2	0	0	0	0	113.6	L12	C10-L12 VanDerWaalsContact C-N 3.34Å
11	I	42.3	Very low	44.5	Very low	112 Å²	112	141.8 Å²	141.8	57%	0.574	74%	0.744	S	S	*	*	H	α-helix	trans	-77.7	-21.3	177.5	-65.9	169.6	0	0	0	111.8	L7 C13	L7-I11 WeakPolarHBondContact O-CG1 3.19Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.75Å
12	L	40	Very low	45.7	Very low	134 Å²	134	137.4 Å²	137.4	70%	0.702	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	0.4	177.7	-96.2	133.2	0	0	0	115.1	C10	C10-L12 VanDerWaalsContact C-N 3.34Å
13	C	39.4	Very low	47.1	Very low	117 Å²	117	135.1 Å²	135.1	79%	0.791	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	4.1	175.4	-88.4	0	0	0	0	114.4	I11	I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.75Å
14	L	38.9	Very low	48.8	Very low	158 Å²	158	133.1 Å²	133.1	83%	0.827	69%	0.694	S	S	*	*	S	Bend	trans	-105.7	5.1	176.3	-77.4	163.9	0	0	0	113.7	S16	L14-S16 PolarHBondContact O-N 2.99Å
15	T	39.3	Very low	50.6	Low	103 Å²	103	125.5 Å²	125.5	63%	0.632	68%	0.677	S	S	*	*	S	Bend	trans	-82.4	113	165.7	45.3	0	0	0	0	109.5
16	S	41.6	Very low	52.6	Low	85 Å²	85	120.1 Å²	120.1	59%	0.594	65%	0.65	S	S	*	*			trans	63.6	72.8	161.7	70	0	0	0	0	117.5	L14 E18	L14-S16 PolarHBondContact O-N 2.99Å; S16-E18 VanDerWaalsContact CA-N 3.32Å; S16-E18 PolarHBondContact O-N 3.09Å
17	C	41.5	Very low	54.9	Low	139 Å²	139	114.2 Å²	114.2	94%	0.939	62%	0.619	S	S	*	*				-75.9	68.3	122.3	-85	0	0	0	0	106.8	E19	C17-E19 VanDerWaalsContact C-N 3.26Å; C17-E19 PolarHBondContact O-N 3.34Å; C17-E19 VanDerWaalsContact O-N 3.07Å
18	E	41.5	Very low	57.3	Low	164 Å²	164	108.6 Å²	108.6	77%	0.766	59%	0.59	S	S	*	*			trans	-64.5	105.4	152.4	-80.7	177.9	156.3	0	0	103	S16 K20	S16-E18 VanDerWaalsContact CA-N 3.32Å; S16-E18 PolarHBondContact O-N 3.09Å; E18-K20 PolarHBondContact O-N 3.41Å
19	E	45.7	Very low	59.8	Low	181 Å²	181	102.6 Å²	102.6	85%	0.846	56%	0.559	S	S	*	*			trans	-44.3	115.5	156.4	-77.6	-179.4	160.3	0	0	104.9	C17 K21	C17-E19 VanDerWaalsContact C-N 3.26Å; C17-E19 PolarHBondContact O-N 3.34Å; C17-E19 VanDerWaalsContact O-N 3.07Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.32Å
20	K	43.6	Very low	62.4	Low	197 Å²	197	98.9 Å²	98.9	86%	0.857	53%	0.533	S	S	*	.			trans	-52.1	107.5	174.6	-79.3	-178.7	175	-179.2	0	105.1	E18 E22	E18-K20 PolarHBondContact O-N 3.41Å; K20-E22 PolarHBondContact O-N 2.64Å
21	K	54.2	Low	65.2	Low	184 Å²	184	96 Å²	96	80%	0.8	51%	0.512	S	S	*	.			trans	-54.2	115	169.8	-83.2	-175.3	173.6	-177.9	0	105.2	E19 D23	E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.32Å; K21-D23 PolarHBondContact O-N 3.03Å; K21-D23 VanDerWaalsContact O-N 3.08Å
22	E	68.9	Low	67.8	Low	132 Å²	132	91 Å²	91	62%	0.617	49%	0.486	S	S	*	.			trans	-60.4	116.3	174.1	-71.6	-170.2	169.8	0	0	106.7	K20 Y24	K20-E22 PolarHBondContact O-N 2.64Å; E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 HydrophobicContact CB-CD1 4.24Å; E22-Y24 HydrophobicContact CB-CE1 3.71Å; E22-Y24 HydrophobicContact CB-CE2 4Å; E22-Y24 VanDerWaalsContact O-CD2 3.32Å; E22-Y24 WeakPolarHBondContact O-CD2 3.5Å; E22-Y24 PolarHBondContact O-N 3.17Å; E22-Y24 WeakPolarHBondContact OE2-CE1 3.5Å; E22-Y24 PolarHBondContact OE2-OH 2.98Å; E22-Y24 VanDerWaalsContact OE2-OH 3.08Å
23	D	78.2	Confident	70.4	Confident	151 Å²	151	85.1 Å²	85.1	81%	0.807	46%	0.458	S	S	*	.			trans	-78.1	88.1	175.4	-176.3	7.6	0	0	0	108	K21 G25	K21-D23 PolarHBondContact O-N 3.03Å; K21-D23 VanDerWaalsContact O-N 3.08Å; D23-G25 PolarHBondContact O-N 3.5Å; D23-G25 PolarHBondContact OD1-N 2.85Å; D23-G25 VanDerWaalsContact OD1-N 3.13Å
24	Y	83.6	Confident	73	Confident	59 Å²	59	80 Å²	80	23%	0.231	42%	0.423	C	S	.	.			trans	-69.7	-9.3	177.4	-57.7	-67.1	0	0	0	112.6	E22 H163 L192 I400	E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 HydrophobicContact CB-CD1 4.24Å; E22-Y24 HydrophobicContact CB-CE1 3.71Å; E22-Y24 HydrophobicContact CB-CE2 4Å; E22-Y24 VanDerWaalsContact O-CD2 3.32Å; E22-Y24 WeakPolarHBondContact O-CD2 3.5Å; E22-Y24 PolarHBondContact O-N 3.17Å; E22-Y24 WeakPolarHBondContact OE2-CE1 3.5Å; E22-Y24 PolarHBondContact OE2-OH 2.98Å; E22-Y24 VanDerWaalsContact OE2-OH 3.08Å; Y24-H163 AromaticContact CD1-NE2 3.99Å; Y24-H163 PolarHBondContact O-CE1 3.49Å; Y24-H163 PolarHBondContact O-ND1 2.94Å; Y24-L192 HydrophobicContact CD1-CD1 3.88Å; Y24-L192 HydrophobicContact CD1-CD2 3.83Å; Y24-L192 HydrophobicContact CD2-CD1 4.05Å; Y24-L192 HydrophobicContact CE1-CD1 4.28Å; Y24-L192 HydrophobicContact CE1-CD2 3.7Å; Y24-L192 HydrophobicContact CE2-CD1 4.44Å; Y24-L192 HydrophobicContact CG-CD1 3.74Å; Y24-I400 HydrophobicContact CD2-CG2 4.38Å; Y24-I400 HydrophobicContact CE2-CG2 4.1Å
25	G	86.4	Confident	75.7	Confident	41 Å²	41	73 Å²	73	42%	0.423	39%	0.387	S	S	.	.			trans	63.2	-145.3	-166.8	0	0	0	0	0	111.8	D23 V27	D23-G25 PolarHBondContact O-N 3.5Å; D23-G25 PolarHBondContact OD1-N 2.85Å; D23-G25 VanDerWaalsContact OD1-N 3.13Å; G25-V27 PolarHBondContact O-N 3.38Å
26	T	92.6	Very high	78.4	Confident	32 Å²	32	70.4 Å²	70.4	20%	0.196	37%	0.366	C	S	.	.			trans	-76.6	123.5	-178.9	-64.5	0	0	0	0	111.6	I28 V41 L157 K159	T26-I28 HydrophobicContact CG2-CG2 4.33Å; T26-V41 HydrophobicContact CG2-CG2 3.6Å; T26-L157 HydrophobicContact CG2-CD1 3.66Å; T26-K159 WeakPolarHBondContact OG1-CE 3.49Å; T26-K159 PolarHBondContact OG1-NZ 2.6Å
27	V	96.5	Very high	81.1	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118	174.1	-172.3	0	0	0	0	108.9	G25 H163 V165 L192	G25-V27 PolarHBondContact O-N 3.38Å; V27-H163 HydrophobicContact CB-CB 4.48Å; V27-H163 HydrophobicContact CG1-CB 4.4Å; V27-H163 HydrophobicContact CG2-CB 4Å; V27-V165 HydrophobicContact CG1-CG2 4.04Å; V27-L192 HydrophobicContact CG1-CD1 4.08Å; V27-L192 HydrophobicContact CG2-CD1 3.74Å
28	I	98.3	Very high	83.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	149.8	176.6	59.8	171.6	0	0	0	111.2	T26 I30 V39 G40 V41 A153 V161 H163 A164 V165	T26-I28 HydrophobicContact CG2-CG2 4.33Å; I28-I30 HydrophobicContact CD1-CD1 3.71Å; I28-I30 HydrophobicContact CD1-CG1 3.93Å; I28-I30 HydrophobicContact CG1-CD1 4.24Å; I28-I30 HydrophobicContact CG1-CG1 4.19Å; I28-V39 HydrophobicContact CB-CG2 4.25Å; I28-V39 HydrophobicContact CD1-CG2 4Å; I28-G40 WeakPolarHBondContact CA-O 3.44Å; I28-V41 HydrophobicContact CG2-CB 4.36Å; I28-V41 HydrophobicContact CG2-CG2 4.43Å; I28-A153 HydrophobicContact CD1-CB 4.04Å; I28-A153 HydrophobicContact CG2-CB 3.9Å; I28-V161 HydrophobicContact CB-CG1 4.46Å; I28-V161 HydrophobicContact CD1-CG1 3.8Å; I28-V161 HydrophobicContact CG1-CG1 3.82Å; I28-V161 HydrophobicContact CG2-CG1 3.87Å; I28-V161 HydrophobicContact CG2-CG2 4.42Å; I28-H163 PolarHBondContact N-O 2.82Å; I28-A164 HydrophobicContact CG1-CB 3.88Å; I28-A164 CarbonylContact O-C 3.57Å; I28-A164 VanDerWaalsContact O-CA 3.22Å; I28-A164 WeakPolarHBondContact O-CA 3.36Å; I28-V165 PolarHBondContact O-N 3.16Å
29	G	98.5	Very high	86.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.4	169	0	0	0	0	0	110.3	V39 G40 V165	G29-V39 CarbonylContact O-C 3.38Å; G29-V39 WeakPolarHBondContact O-CA 3.29Å; G29-G40 PolarHBondContact N-O 3.07Å; G29-G40 PolarHBondContact O-N 2.79Å; G29-V165 CarbonylContact C-O 3.57Å; G29-V165 WeakPolarHBondContact CA-O 3.47Å
30	I	98.7	Very high	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.2	179.3	-55.6	171.6	0	0	0	109.5	I28 C38 V39 L146 M149 A164 V165 V166 T167 L189	I28-I30 HydrophobicContact CD1-CD1 3.71Å; I28-I30 HydrophobicContact CD1-CG1 3.93Å; I28-I30 HydrophobicContact CG1-CD1 4.24Å; I28-I30 HydrophobicContact CG1-CG1 4.19Å; I30-C38 WeakPolarHBondContact CA-O 3.37Å; I30-V39 HydrophobicContact CG1-CB 4.4Å; I30-V39 HydrophobicContact CG1-CG2 4.05Å; I30-L146 HydrophobicContact CB-CD2 4.47Å; I30-L146 HydrophobicContact CD1-CD2 4.01Å; I30-L146 HydrophobicContact CG2-CD2 3.84Å; I30-M149 HydrophobicContact CD1-CB 4.09Å; I30-M149 HydrophobicContact CG1-CB 4.36Å; I30-M149 HydrophobicContact CG2-CB 4.25Å; I30-M149 HydrophobicContact CG2-CG 3.95Å; I30-A164 HydrophobicContact CD1-CB 4.16Å; I30-V165 PolarHBondContact N-O 3.32Å; I30-V166 HydrophobicContact CB-CG2 4.35Å; I30-V166 WeakPolarHBondContact O-CA 3.47Å; I30-T167 PolarHBondContact O-N 2.94Å; I30-L189 HydrophobicContact CD1-CD1 3.84Å
31	D	98.3	Very high	91.6	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.112	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105.5	158.3	-178.6	20	0	0	0	109.4	G33 S37 C38 T167 V389 A390	D31-G33 PolarHBondContact O-N 3.41Å; D31-S37 CarbonylContact O-C 3.53Å; D31-S37 WeakPolarHBondContact O-CA 3.29Å; D31-S37 WeakPolarHBondContact O-CB 3.44Å; D31-C38 HydrophobicContact CB-CB 4.28Å; D31-C38 PolarHBondContact N-O 3.36Å; D31-C38 PolarHBondContact O-N 3.4Å; D31-T167 VanDerWaalsContact CA-OG1 3.32Å; D31-T167 WeakPolarHBondContact CA-OG1 3.46Å; D31-T167 PolarHBondContact OD1-OG1 2.88Å; D31-T167 VanDerWaalsContact OD1-OG1 3.05Å; D31-V389 HydrophobicContact CB-CB 4.19Å; D31-V389 HydrophobicContact CB-CG1 3.79Å; D31-A390 HydrophobicContact CB-CB 3.88Å
32	L	96.9	Very high	93.6	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	14%	0.143	C	C	.	.			trans	-88.3	78.7	173.9	178.6	64.5	0	0	0	108.1	K93 V145 L146 V166 T180	L32-K93 WeakPolarHBondContact O-CD 3.03Å; L32-K93 WeakPolarHBondContact O-CE 3.31Å; L32-K93 PolarHBondContact O-NZ 2.8Å; L32-V145 HydrophobicContact CD1-CB 4.13Å; L32-V145 HydrophobicContact CD1-CG1 3.9Å; L32-L146 HydrophobicContact CB-CD2 4.2Å; L32-L146 HydrophobicContact CD1-CD2 4.1Å; L32-L146 HydrophobicContact CD1-CG 4.18Å; L32-L146 HydrophobicContact CD2-CD1 4.28Å; L32-L146 HydrophobicContact CD2-CD2 4.2Å; L32-L146 HydrophobicContact CD2-CG 4.22Å; L32-L146 HydrophobicContact CG-CD2 4.39Å; L32-V166 HydrophobicContact CB-CG1 4.13Å; L32-T180 HydrophobicContact CD2-CG2 4.34Å
33	G	94.9	Very high	94.6	Very high	10 Å²	10	24.6 Å²	24.6	10%	0.103	14%	0.135	C	C	.	.			trans	-82.1	163.5	-176.4	0	0	0	0	0	114.1	D31 Y36 S37 S61	D31-G33 PolarHBondContact O-N 3.41Å; G33-Y36 CarbonylContact C-O 3.56Å; G33-Y36 WeakPolarHBondContact CA-O 3.19Å; G33-Y36 PolarHBondContact N-O 3.49Å; G33-S37 PolarHBondContact N-OG 2.87Å; G33-S61 WeakPolarHBondContact O-CB 3.38Å; G33-S61 PolarHBondContact O-OG 2.78Å
34	T	94.5	Very high	94.9	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	14%	0.135	C	C	.	.	S	Bend	trans	-62.8	-47	179.4	-53.9	0	0	0	0	112.2	S61 D91 R94	T34-S61 WeakPolarHBondContact O-CB 3.38Å; T34-D91 HydrophobicContact CG2-CB 4.13Å; T34-R94 HydrophobicContact CG2-CG 4.14Å
35	T	95.6	Very high	95.1	Very high	11 Å²	11	20.1 Å²	20.1	7%	0.067	14%	0.142	C	C	.	.	S	Bend	trans	-104.9	-33.8	-176.4	-38.9	0	0	0	0	112.2	P60 S61 G223 E252	T35-P60 CarbonylContact O-C 3.53Å; T35-P60 WeakPolarHBondContact O-CA 3.46Å; T35-S61 PolarHBondContact O-N 2.75Å; T35-G223 WeakPolarHBondContact OG1-CA 3.35Å; T35-E252 WeakPolarHBondContact CG2-OE1 3.39Å
36	Y	97.3	Very high	95.3	Very high	48 Å²	48	25.7 Å²	25.7	19%	0.188	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.3	179.7	-71.8	-93	0	0	0	110	G33 I58 T59 P60 S61 K78 R293	G33-Y36 CarbonylContact C-O 3.56Å; G33-Y36 WeakPolarHBondContact CA-O 3.19Å; G33-Y36 PolarHBondContact N-O 3.49Å; Y36-I58 HydrophobicContact CD1-CB 4.19Å; Y36-I58 HydrophobicContact CD1-CD1 3.91Å; Y36-I58 HydrophobicContact CD1-CG1 4.01Å; Y36-I58 HydrophobicContact CE1-CD1 4.3Å; Y36-I58 HydrophobicContact CG-CD1 4.27Å; Y36-T59 CarbonylContact C-O 3.54Å; Y36-T59 VanDerWaalsContact CA-O 3.25Å; Y36-T59 WeakPolarHBondContact CA-O 3.23Å; Y36-P60 HydrophobicContact CD1-CG 4.28Å; Y36-P60 HydrophobicContact CE1-CB 4.25Å; Y36-P60 HydrophobicContact CE1-CG 3.75Å; Y36-S61 VanDerWaalsContact C-OG 3.28Å; Y36-S61 PolarHBondContact N-OG 2.88Å; Y36-K78 PolarHBondContact OH-NZ 3.34Å; Y36-R293 PolarHBondContact OH-NH2 2.93Å
37	S	98.3	Very high	95.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.4	172.7	-61.8	0	0	0	0	110.3	D31 G33 T59 S61 V145	D31-S37 CarbonylContact O-C 3.53Å; D31-S37 WeakPolarHBondContact O-CA 3.29Å; D31-S37 WeakPolarHBondContact O-CB 3.44Å; G33-S37 PolarHBondContact N-OG 2.87Å; S37-T59 PolarHBondContact N-O 3.14Å; S37-T59 PolarHBondContact O-N 3.44Å; S37-S61 PolarHBondContact N-OG 3.04Å; S37-S61 PolarHBondContact OG-OG 2.83Å; S37-V145 WeakPolarHBondContact OG-CG1 3.41Å
38	C	98.4	Very high	95.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.1	-177.4	-177	0	0	0	0	109.4	I30 D31 R57 I58 A390	I30-C38 WeakPolarHBondContact CA-O 3.37Å; D31-C38 HydrophobicContact CB-CB 4.28Å; D31-C38 PolarHBondContact N-O 3.36Å; D31-C38 PolarHBondContact O-N 3.4Å; C38-R57 PolarHBondContact SG-O 3.36Å; C38-R57 VanDerWaalsContact SG-O 3.36Å; C38-I58 HydrophobicContact CB-CG2 4.29Å; C38-A390 HydrophobicContact CB-CB 3.67Å; C38-A390 WeakPolarHBondContact SG-CB 3.36Å
39	V	98.6	Very high	95.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.3	179.4	53.8	0	0	0	0	110.6	I28 G29 I30 I50 M149 A153	I28-V39 HydrophobicContact CB-CG2 4.25Å; I28-V39 HydrophobicContact CD1-CG2 4Å; G29-V39 CarbonylContact O-C 3.38Å; G29-V39 WeakPolarHBondContact O-CA 3.29Å; I30-V39 HydrophobicContact CG1-CB 4.4Å; I30-V39 HydrophobicContact CG1-CG2 4.05Å; V39-I50 HydrophobicContact CG1-CB 4.07Å; V39-I50 PolarHBondContact O-N 3.49Å; V39-M149 HydrophobicContact CB-CB 4.09Å; V39-M149 HydrophobicContact CB-CG 4.48Å; V39-M149 HydrophobicContact CB-SD 4.17Å; V39-M149 HydrophobicContact CG1-CB 4.27Å; V39-M149 HydrophobicContact CG1-SD 3.91Å; V39-A153 HydrophobicContact CG2-CB 4.29Å
40	G	98.2	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.7	176.1	0	0	0	0	0	112.7	I28 G29 E48	I28-G40 WeakPolarHBondContact CA-O 3.44Å; G29-G40 PolarHBondContact N-O 3.07Å; G29-G40 PolarHBondContact O-N 2.79Å; G40-E48 CarbonylContact C-O 3.46Å; G40-E48 WeakPolarHBondContact CA-O 3.29Å
41	V	97.3	Very high	95.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.5	177.1	64.1	0	0	0	0	109.9	T26 I28 V47 E48 I50 Y156 L157	T26-V41 HydrophobicContact CG2-CG2 3.6Å; I28-V41 HydrophobicContact CG2-CB 4.36Å; I28-V41 HydrophobicContact CG2-CG2 4.43Å; V41-V47 WeakPolarHBondContact O-CA 3.22Å; V41-E48 HydrophobicContact CG1-CB 4.2Å; V41-E48 PolarHBondContact N-O 3.31Å; V41-E48 PolarHBondContact O-N 3.36Å; V41-I50 HydrophobicContact CB-CD1 4.35Å; V41-I50 HydrophobicContact CG1-CD1 3.97Å; V41-I50 HydrophobicContact CG1-CG1 4.37Å; V41-Y156 HydrophobicContact CG1-CE1 4.23Å; V41-L157 HydrophobicContact CG1-CD2 4.31Å; V41-L157 HydrophobicContact CG2-CD2 4.47Å
42	F	95	Very high	95.2	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.066	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.4	171.9	-167.6	-83.9	0	0	0	109.6	R46 V47 A394 V395 V403 T406	F42-R46 WeakPolarHBondContact CA-O 3.16Å; F42-V47 HydrophobicContact CD2-CG2 3.74Å; F42-V47 HydrophobicContact CE2-CG2 4.44Å; F42-A394 WeakPolarHBondContact CB-O 3.33Å; F42-V395 HydrophobicContact CD2-CG2 4.35Å; F42-V403 HydrophobicContact CD1-CB 4.2Å; F42-V403 HydrophobicContact CD1-CG1 3.81Å; F42-V403 HydrophobicContact CE1-CG1 4.1Å; F42-T406 HydrophobicContact CD1-CG2 3.89Å; F42-T406 HydrophobicContact CE1-CG2 3.6Å; F42-T406 HydrophobicContact CG-CG2 4.47Å; F42-T406 HydrophobicContact CZ-CG2 3.96Å
43	Q	89.8	Confident	95	Very high	98 Å²	98	33.4 Å²	33.4	46%	0.458	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.7	179.6	-172.3	178.2	11.4	0	0	110.4	G45 R46	Q43-G45 PolarHBondContact O-N 3.04Å; Q43-R46 PolarHBondContact N-O 2.89Å; Q43-R46 PolarHBondContact O-N 2.98Å
44	G	86	Confident	94.9	Very high	77 Å²	77	39.1 Å²	39.1	79%	0.794	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	26.8	177.4	0	0	0	0	0	113.8	R46	G44-R46 VanDerWaalsContact C-N 3.31Å; G44-R46 PolarHBondContact O-N 3.33Å
45	G	86.3	Confident	94.9	Very high	38 Å²	38	41.3 Å²	41.3	39%	0.392	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	10.8	-179.9	0	0	0	0	0	114.9	Q43	Q43-G45 PolarHBondContact O-N 3.04Å
46	R	91.3	Very high	94.9	Very high	158 Å²	158	44.5 Å²	44.5	60%	0.596	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	167.9	175.6	67.8	-174.2	-171.6	-171.2	4.4	111.2	F42 Q43 G44 E48	F42-R46 WeakPolarHBondContact CA-O 3.16Å; Q43-R46 PolarHBondContact N-O 2.89Å; Q43-R46 PolarHBondContact O-N 2.98Å; G44-R46 VanDerWaalsContact C-N 3.31Å; G44-R46 PolarHBondContact O-N 3.33Å; R46-E48 IonicContact CZ-OE1 2.82Å; R46-E48 IonicContact NE-OE1 3.08Å; R46-E48 PolarHBondContact NE-OE1 3.46Å; R46-E48 IonicContact NH2-OE1 3.4Å; R46-E48 PolarHBondContact NH2-OE1 3.49Å
47	V	94.9	Very high	94.9	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.7	170.9	175.8	0	0	0	0	109.7	V41 F42 I49 Y391 A394 V395	V41-V47 WeakPolarHBondContact O-CA 3.22Å; F42-V47 HydrophobicContact CD2-CG2 3.74Å; F42-V47 HydrophobicContact CE2-CG2 4.44Å; V47-I49 HydrophobicContact CG1-CD1 4.03Å; V47-Y391 HydrophobicContact CB-CD1 4.27Å; V47-Y391 HydrophobicContact CB-CD2 3.71Å; V47-Y391 HydrophobicContact CB-CE1 4.02Å; V47-Y391 HydrophobicContact CB-CE2 3.44Å; V47-Y391 VanDerWaalsContact CB-CE2 3.44Å; V47-Y391 HydrophobicContact CB-CG 4.11Å; V47-Y391 HydrophobicContact CG1-CD1 4.46Å; V47-Y391 HydrophobicContact CG1-CD2 3.61Å; V47-Y391 HydrophobicContact CG1-CE2 3.9Å; V47-Y391 HydrophobicContact CG1-CG 3.92Å; V47-Y391 HydrophobicContact CG2-CD1 3.87Å; V47-Y391 HydrophobicContact CG2-CD2 4.23Å; V47-Y391 HydrophobicContact CG2-CE1 3.59Å; V47-Y391 HydrophobicContact CG2-CE2 4Å; V47-Y391 HydrophobicContact CG2-CG 4.17Å; V47-A394 HydrophobicContact CG1-CB 3.75Å; V47-A394 HydrophobicContact CG2-CB 4.27Å; V47-V395 HydrophobicContact CG2-CG2 3.44Å; V47-V395 VanDerWaalsContact CG2-CG2 3.44Å
48	E	96.5	Very high	94.9	Very high	45 Å²	45	50 Å²	50	21%	0.21	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.3	166.4	-63.9	-64.9	172.5	0	0	109.2	G40 V41 R46	G40-E48 CarbonylContact C-O 3.46Å; G40-E48 WeakPolarHBondContact CA-O 3.29Å; V41-E48 HydrophobicContact CG1-CB 4.2Å; V41-E48 PolarHBondContact N-O 3.31Å; V41-E48 PolarHBondContact O-N 3.36Å; R46-E48 IonicContact CZ-OE1 2.82Å; R46-E48 IonicContact NE-OE1 3.08Å; R46-E48 PolarHBondContact NE-OE1 3.46Å; R46-E48 IonicContact NH2-OE1 3.4Å; R46-E48 PolarHBondContact NH2-OE1 3.49Å
49	I	98.1	Very high	94.9	Very high	20 Å²	20	50 Å²	50	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.3	170	-59.4	-59.8	0	0	0	108.2	V47 R57 E387 A390 Y391	V47-I49 HydrophobicContact CG1-CD1 4.03Å; I49-R57 HydrophobicContact CG2-CB 3.86Å; I49-R57 HydrophobicContact CG2-CG 4.04Å; I49-E387 HydrophobicContact CG1-CB 4.39Å; I49-E387 HydrophobicContact CG2-CG 4.39Å; I49-A390 HydrophobicContact CD1-CB 4.38Å; I49-Y391 HydrophobicContact CD1-CD2 4.4Å
50	I	98.3	Very high	94.8	Very high	5 Å²	5	50 Å²	50	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.1	-170.1	-56	177.8	0	0	0	109	V39 V41 F152 A153 Y156	V39-I50 HydrophobicContact CG1-CB 4.07Å; V39-I50 PolarHBondContact O-N 3.49Å; V41-I50 HydrophobicContact CB-CD1 4.35Å; V41-I50 HydrophobicContact CG1-CD1 3.97Å; V41-I50 HydrophobicContact CG1-CG1 4.37Å; I50-F152 HydrophobicContact CG2-CB 4.23Å; I50-A153 HydrophobicContact CD1-CB 3.78Å; I50-Y156 HydrophobicContact CD1-CD1 3.9Å; I50-Y156 HydrophobicContact CD1-CG 4.33Å; I50-Y156 HydrophobicContact CG1-CD1 4.03Å; I50-Y156 HydrophobicContact CG1-CG 4.27Å; I50-Y156 HydrophobicContact CG2-CG 4.11Å
51	A	97.6	Very high	94.8	Very high	44 Å²	44	50.3 Å²	50.3	36%	0.364	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-75.7	149.6	175.9	0	0	0	0	0	111.4	N56	A51-N56 CarbonylContact C-O 3.56Å; A51-N56 WeakPolarHBondContact CA-O 3.45Å
52	N	96.4	Very high	94.9	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.059	29%	0.285	C	S	.	.			trans	-77	-179.5	172.9	75	9.1	0	0	0	112.2	Q54 G55 N56 T59 D75 F152	N52-Q54 PolarHBondContact O-N 2.72Å; N52-Q54 VanDerWaalsContact O-N 3.1Å; N52-Q54 WeakPolarHBondContact OD1-CA 3.29Å; N52-Q54 WeakPolarHBondContact OD1-CB 3.18Å; N52-Q54 PolarHBondContact OD1-N 2.83Å; N52-G55 PolarHBondContact O-N 3.28Å; N52-G55 PolarHBondContact OD1-N 2.93Å; N52-N56 VanDerWaalsContact CG-O 3.28Å; N52-N56 PolarHBondContact N-O 3.19Å; N52-N56 PolarHBondContact OD1-N 2.92Å; N52-N56 PolarHBondContact OD1-O 2.9Å; N52-T59 WeakPolarHBondContact CB-OG1 3.45Å; N52-T59 PolarHBondContact ND2-OG1 2.91Å; N52-D75 PolarHBondContact ND2-OD2 2.99Å; N52-F152 HydrophobicContact CB-CD1 4.5Å; N52-F152 HydrophobicContact CB-CD2 3.91Å; N52-F152 HydrophobicContact CB-CE1 4.07Å; N52-F152 HydrophobicContact CB-CE2 3.41Å; N52-F152 VanDerWaalsContact CB-CE2 3.41Å; N52-F152 HydrophobicContact CB-CG 4.43Å; N52-F152 HydrophobicContact CB-CZ 3.51Å
53	D	91.6	Very high	95.1	Very high	93 Å²	93	49.8 Å²	49.8	50%	0.497	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.6	-179.3	57.7	28.4	0	0	0	115	K148 F152	D53-K148 IonicContact OD2-NZ 3.99Å; D53-F152 HydrophobicContact CB-CE1 4.06Å
54	Q	92.1	Very high	95.5	Very high	130 Å²	130	45.1 Å²	45.1	61%	0.607	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	2.6	172.3	-56.5	-51.8	-68.4	0	0	113.2	N52 N56 D75	N52-Q54 PolarHBondContact O-N 2.72Å; N52-Q54 VanDerWaalsContact O-N 3.1Å; N52-Q54 WeakPolarHBondContact OD1-CA 3.29Å; N52-Q54 WeakPolarHBondContact OD1-CB 3.18Å; N52-Q54 PolarHBondContact OD1-N 2.83Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-D75 HydrophobicContact CG-CB 4.14Å
55	G	94.9	Very high	96	Very high	56 Å²	56	41.4 Å²	41.4	58%	0.577	22%	0.223	S	C	*	.	S	Bend	trans	79.9	8.4	-176.5	0	0	0	0	0	114.7	N52	N52-G55 PolarHBondContact O-N 3.28Å; N52-G55 PolarHBondContact OD1-N 2.93Å
56	N	96.9	Very high	96.3	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	21%	0.207	S	C	.	.			trans	-87.7	138.4	176.2	-60.9	-50.6	0	0	0	110.7	A51 N52 Q54 I58	A51-N56 CarbonylContact C-O 3.56Å; A51-N56 WeakPolarHBondContact CA-O 3.45Å; N52-N56 VanDerWaalsContact CG-O 3.28Å; N52-N56 PolarHBondContact N-O 3.19Å; N52-N56 PolarHBondContact OD1-N 2.92Å; N52-N56 PolarHBondContact OD1-O 2.9Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; N56-I58 VanDerWaalsContact C-N 3.33Å
57	R	97.3	Very high	96.2	Very high	131 Å²	131	36.8 Å²	36.8	49%	0.494	21%	0.206	S	C	.	.	S	Bend	trans	-77.8	-17.4	177.7	-71.7	-180	177.6	-174.5	-1.8	114.6	C38 I49 E387	C38-R57 PolarHBondContact SG-O 3.36Å; C38-R57 VanDerWaalsContact SG-O 3.36Å; I49-R57 HydrophobicContact CG2-CB 3.86Å; I49-R57 HydrophobicContact CG2-CG 4.04Å; R57-E387 WeakPolarHBondContact CD-OE1 3.28Å; R57-E387 IonicContact NH1-OE1 2.78Å; R57-E387 IonicContact NH1-OE2 2.91Å; R57-E387 PolarHBondContact NH1-OE2 3Å
58	I	97.2	Very high	95.8	Very high	34 Å²	34	42.1 Å²	42.1	17%	0.174	23%	0.23	C	C	.	.	S	Bend	trans	-117.6	139.7	174	59.8	174.3	0	0	0	108.8	Y36 C38 N56 D386	Y36-I58 HydrophobicContact CD1-CB 4.19Å; Y36-I58 HydrophobicContact CD1-CD1 3.91Å; Y36-I58 HydrophobicContact CD1-CG1 4.01Å; Y36-I58 HydrophobicContact CE1-CD1 4.3Å; Y36-I58 HydrophobicContact CG-CD1 4.27Å; C38-I58 HydrophobicContact CB-CG2 4.29Å; N56-I58 VanDerWaalsContact C-N 3.33Å; I58-D386 HydrophobicContact CG2-CB 4.22Å
59	T	98.3	Very high	95.4	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.7	-177.6	-61.2	0	0	0	0	109.5	Y36 S37 N52 S61 M149 F152	Y36-T59 CarbonylContact C-O 3.54Å; Y36-T59 VanDerWaalsContact CA-O 3.25Å; Y36-T59 WeakPolarHBondContact CA-O 3.23Å; S37-T59 PolarHBondContact N-O 3.14Å; S37-T59 PolarHBondContact O-N 3.44Å; N52-T59 WeakPolarHBondContact CB-OG1 3.45Å; N52-T59 PolarHBondContact ND2-OG1 2.91Å; T59-S61 PolarHBondContact O-N 2.81Å; T59-M149 HydrophobicContact CG2-CE 3.83Å; T59-F152 HydrophobicContact CG2-CE2 4.16Å
60	P	98	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	134.8	174	-24.9	32.7	0	0	0	112.2	T35 Y36 Y62 G74 D75 K78	T35-P60 CarbonylContact O-C 3.53Å; T35-P60 WeakPolarHBondContact O-CA 3.46Å; Y36-P60 HydrophobicContact CD1-CG 4.28Å; Y36-P60 HydrophobicContact CE1-CB 4.25Å; Y36-P60 HydrophobicContact CE1-CG 3.75Å; P60-Y62 HydrophobicContact CB-CD2 3.55Å; P60-Y62 HydrophobicContact CB-CE2 4.22Å; P60-Y62 HydrophobicContact CB-CG 4.26Å; P60-Y62 PolarHBondContact O-N 2.77Å; P60-G74 VanDerWaalsContact O-CA 3.31Å; P60-G74 WeakPolarHBondContact O-CA 3.39Å; P60-D75 WeakPolarHBondContact CD-OD1 3.31Å; P60-D75 WeakPolarHBondContact CG-OD1 3.42Å; P60-K78 HydrophobicContact CB-CB 4.09Å; P60-K78 HydrophobicContact CB-CD 3.91Å; P60-K78 HydrophobicContact CG-CB 4.19Å; P60-K78 HydrophobicContact CG-CD 3.81Å
61	S	98.1	Very high	94.8	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.049	24%	0.244	C	C	.	.			trans	-79.2	53.3	175.1	-59.3	0	0	0	0	111.3	G33 T34 T35 Y36 S37 T59	G33-S61 WeakPolarHBondContact O-CB 3.38Å; G33-S61 PolarHBondContact O-OG 2.78Å; T34-S61 WeakPolarHBondContact O-CB 3.38Å; T35-S61 PolarHBondContact O-N 2.75Å; Y36-S61 VanDerWaalsContact C-OG 3.28Å; Y36-S61 PolarHBondContact N-OG 2.88Å; S37-S61 PolarHBondContact N-OG 3.04Å; S37-S61 PolarHBondContact OG-OG 2.83Å; T59-S61 PolarHBondContact O-N 2.81Å
62	Y	98.4	Very high	94.7	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.027	24%	0.237	C	C	.	.			trans	-112.3	139	-176.1	-77.2	-115.5	0	0	0	110	P60 I73 G74 A77 K78 L81 T88 V89 F90	P60-Y62 HydrophobicContact CB-CD2 3.55Å; P60-Y62 HydrophobicContact CB-CE2 4.22Å; P60-Y62 HydrophobicContact CB-CG 4.26Å; P60-Y62 PolarHBondContact O-N 2.77Å; Y62-I73 CarbonylContact O-C 3.57Å; Y62-I73 WeakPolarHBondContact O-CA 3.42Å; Y62-G74 PolarHBondContact O-N 3.04Å; Y62-A77 WeakPolarHBondContact O-CB 3.18Å; Y62-K78 HydrophobicContact CD1-CB 4.09Å; Y62-K78 HydrophobicContact CD1-CG 4.36Å; Y62-K78 HydrophobicContact CD2-CB 4.35Å; Y62-K78 HydrophobicContact CD2-CD 4.49Å; Y62-K78 HydrophobicContact CE1-CG 4.29Å; Y62-K78 HydrophobicContact CE2-CD 4.21Å; Y62-K78 HydrophobicContact CE2-CG 4.49Å; Y62-K78 HydrophobicContact CG-CB 4.02Å; Y62-L81 HydrophobicContact CE1-CD1 4.45Å; Y62-L81 HydrophobicContact CE1-CD2 4.13Å; Y62-T88 HydrophobicContact CD1-CG2 3.86Å; Y62-V89 WeakPolarHBondContact CA-O 3.27Å; Y62-F90 HydrophobicContact CD1-CB 3.62Å; Y62-F90 HydrophobicContact CD1-CD1 4.34Å; Y62-F90 HydrophobicContact CD1-CG 4.29Å; Y62-F90 HydrophobicContact CD2-CB 4.01Å; Y62-F90 HydrophobicContact CE1-CB 3.37Å; Y62-F90 AromaticContact CE1-CD1 3.76Å; Y62-F90 HydrophobicContact CE1-CD1 3.76Å; Y62-F90 HydrophobicContact CE1-CD2 4.49Å; Y62-F90 AromaticContact CE1-CG 3.63Å; Y62-F90 HydrophobicContact CE1-CG 3.63Å; Y62-F90 HydrophobicContact CE2-CB 3.81Å; Y62-F90 HydrophobicContact CG-CB 3.92Å; Y62-F90 VanDerWaalsContact CZ-CB 3.47Å; Y62-F90 AromaticContact CZ-CG 3.81Å
63	V	98.4	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.5	172.4	178.7	0	0	0	0	107.9	F65 R71 L72 I73 V89 I141 M144 V145	V63-F65 HydrophobicContact CG1-CE2 3.95Å; V63-F65 HydrophobicContact CG1-CZ 3.93Å; V63-R71 HydrophobicContact CG1-CG 4.44Å; V63-L72 CarbonylContact C-O 3.57Å; V63-L72 WeakPolarHBondContact CA-O 3.39Å; V63-I73 HydrophobicContact CG2-CG1 4.41Å; V63-I73 HydrophobicContact CG2-CG2 4.43Å; V63-V89 PolarHBondContact N-O 2.61Å; V63-V89 WeakPolarHBondContact O-CA 3.09Å; V63-V89 PolarHBondContact O-N 2.89Å; V63-I141 HydrophobicContact CB-CG2 3.93Å; V63-I141 HydrophobicContact CG2-CG2 3.71Å; V63-M144 HydrophobicContact CG1-CB 4.47Å; V63-M144 HydrophobicContact CG1-SD 3.62Å; V63-M144 HydrophobicContact CG2-CB 4.03Å; V63-V145 HydrophobicContact CG2-CG2 3.83Å
64	A	98.1	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.9	-179.1	0	0	0	0	0	112.1	L72 A77 Q80 N87 T88	A64-L72 PolarHBondContact N-O 2.78Å; A64-L72 PolarHBondContact O-N 2.82Å; A64-A77 HydrophobicContact CB-CB 3.74Å; A64-Q80 HydrophobicContact CB-CG 3.99Å; A64-N87 CarbonylContact C-O 3.56Å; A64-N87 WeakPolarHBondContact CA-O 3.37Å; A64-T88 HydrophobicContact CB-CG2 4Å; A64-T88 WeakPolarHBondContact CB-OG1 3.36Å
65	F	96.9	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.1	-179.1	-58.3	-86.9	0	0	0	109.3	V63 E70 R71 N84 N87 V127 H128 V129 F136 I141 M144 F543	V63-F65 HydrophobicContact CG1-CE2 3.95Å; V63-F65 HydrophobicContact CG1-CZ 3.93Å; F65-E70 CarbonylContact C-O 3.16Å; F65-E70 WeakPolarHBondContact CA-O 3.45Å; F65-R71 HydrophobicContact CD1-CB 4.41Å; F65-R71 HydrophobicContact CD1-CG 4.45Å; F65-R71 HydrophobicContact CE1-CB 4.42Å; F65-R71 HydrophobicContact CE1-CG 4.11Å; F65-N84 PolarHBondContact O-ND2 2.88Å; F65-N87 PolarHBondContact N-O 3.08Å; F65-N87 WeakPolarHBondContact O-CB 3.44Å; F65-V127 HydrophobicContact CD2-CB 4.2Å; F65-V127 HydrophobicContact CD2-CG1 4.46Å; F65-V127 HydrophobicContact CD2-CG2 3.59Å; F65-V127 HydrophobicContact CE2-CG2 3.8Å; F65-V127 HydrophobicContact CG-CG2 4.28Å; F65-H128 WeakPolarHBondContact CB-O 3.49Å; F65-V129 HydrophobicContact CB-CG2 4.13Å; F65-V129 HydrophobicContact CD1-CG1 4.29Å; F65-V129 HydrophobicContact CD1-CG2 3.63Å; F65-V129 HydrophobicContact CE1-CG2 4.14Å; F65-V129 HydrophobicContact CG-CG2 3.86Å; F65-F136 HydrophobicContact CE1-CE2 4.01Å; F65-F136 AromaticContact CE1-CZ 3.96Å; F65-F136 HydrophobicContact CE1-CZ 3.96Å; F65-F136 HydrophobicContact CE2-CD2 4.15Å; F65-F136 AromaticContact CE2-CE2 3.87Å; F65-F136 HydrophobicContact CE2-CE2 3.87Å; F65-F136 HydrophobicContact CZ-CD2 4.03Å; F65-F136 AromaticContact CZ-CE2 3.54Å; F65-F136 HydrophobicContact CZ-CE2 3.54Å; F65-F136 AromaticContact CZ-CZ 3.81Å; F65-F136 HydrophobicContact CZ-CZ 3.81Å; F65-I141 HydrophobicContact CE2-CD1 4.2Å; F65-I141 HydrophobicContact CZ-CD1 4.28Å; F65-M144 HydrophobicContact CE1-SD 4.41Å; F65-M144 HydrophobicContact CZ-CE 4.04Å; F65-M144 HydrophobicContact CZ-SD 3.89Å; F65-F543 HydrophobicContact CE1-CE1 4.5Å
66	T	92.8	Very high	95.3	Very high	10 Å²	10	34.6 Å²	34.6	6%	0.061	19%	0.185	C	C	.	.			trans	-78.5	159.9	-177.5	76.7	0	0	0	0	111.3	E68 G69 E70 L72 G130	T66-E68 VanDerWaalsContact CB-OE2 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.39Å; T66-E68 PolarHBondContact O-N 2.73Å; T66-E68 VanDerWaalsContact O-N 3.14Å; T66-E68 PolarHBondContact OG1-N 3.03Å; T66-E68 PolarHBondContact OG1-OE2 2.89Å; T66-E68 VanDerWaalsContact OG1-OE2 3.07Å; T66-G69 PolarHBondContact O-N 2.86Å; T66-E70 HydrophobicContact CG2-CB 4.02Å; T66-E70 PolarHBondContact N-O 3.46Å; T66-E70 WeakPolarHBondContact OG1-CB 3.33Å; T66-E70 PolarHBondContact OG1-N 3.09Å; T66-L72 HydrophobicContact CG2-CD1 4.07Å; T66-L72 HydrophobicContact CG2-CD2 4.45Å; T66-L72 HydrophobicContact CG2-CG 3.97Å; T66-G130 PolarHBondContact O-N 2.82Å
67	P	89.5	Confident	95.3	Very high	88 Å²	88	31 Å²	31	57%	0.571	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.1	172	-24.2	35.4	0	0	0	114.4	G69 G130	P67-G69 VanDerWaalsContact C-N 3.32Å; P67-G130 VanDerWaalsContact O-CA 3.3Å; P67-G130 WeakPolarHBondContact O-CA 3.47Å
68	E	87.3	Confident	95.3	Very high	123 Å²	123	25.9 Å²	25.9	58%	0.575	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.5	175.9	-59.1	70	-146.8	0	0	112.4	T66 E70	T66-E68 VanDerWaalsContact CB-OE2 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.39Å; T66-E68 PolarHBondContact O-N 2.73Å; T66-E68 VanDerWaalsContact O-N 3.14Å; T66-E68 PolarHBondContact OG1-N 3.03Å; T66-E68 PolarHBondContact OG1-OE2 2.89Å; T66-E68 VanDerWaalsContact OG1-OE2 3.07Å; E68-E70 HydrophobicContact CB-CG 4.4Å
69	G	87.5	Confident	95.2	Very high	28 Å²	28	30.1 Å²	30.1	29%	0.289	17%	0.17	S	C	.	.	S	Bend	trans	87.4	10.9	-177.9	0	0	0	0	0	114.3	T66 P67	T66-G69 PolarHBondContact O-N 2.86Å; P67-G69 VanDerWaalsContact C-N 3.32Å
70	E	90.2	Very high	95.1	Very high	49 Å²	49	31.1 Å²	31.1	23%	0.229	18%	0.175	C	C	.	.			trans	-79.1	145.2	176.2	-55.5	-178.4	168.4	0	0	110.6	F65 T66 E68 L550 R553	F65-E70 CarbonylContact C-O 3.16Å; F65-E70 WeakPolarHBondContact CA-O 3.45Å; T66-E70 HydrophobicContact CG2-CB 4.02Å; T66-E70 PolarHBondContact N-O 3.46Å; T66-E70 WeakPolarHBondContact OG1-CB 3.33Å; T66-E70 PolarHBondContact OG1-N 3.09Å; E68-E70 HydrophobicContact CB-CG 4.4Å; E70-L550 HydrophobicContact CB-CD2 4.08Å; E70-L550 HydrophobicContact CG-CD2 3.92Å; E70-L550 VanDerWaalsContact OE1-CD1 3.3Å; E70-L550 WeakPolarHBondContact OE1-CD1 3.35Å; E70-R553 IonicContact OE1-NH2 3.87Å; E70-R553 PolarHBondContact OE1-NH2 3.44Å
71	R	93.7	Very high	94.9	Very high	30 Å²	30	31.3 Å²	31.3	11%	0.113	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.9	175.9	-179.6	176.9	64	-179.9	5.6	109.8	V63 F65 I73 M144 D547	V63-R71 HydrophobicContact CG1-CG 4.44Å; F65-R71 HydrophobicContact CD1-CB 4.41Å; F65-R71 HydrophobicContact CD1-CG 4.45Å; F65-R71 HydrophobicContact CE1-CB 4.42Å; F65-R71 HydrophobicContact CE1-CG 4.11Å; R71-I73 HydrophobicContact CG-CD1 4.39Å; R71-I73 HydrophobicContact CG-CG1 4.19Å; R71-M144 VanDerWaalsContact CD-SD 3.56Å; R71-D547 IonicContact CZ-OD2 3.97Å; R71-D547 VanDerWaalsContact CZ-OD2 3.3Å; R71-D547 IonicContact NE-OD2 3.93Å; R71-D547 PolarHBondContact NE-OD2 2.81Å; R71-D547 VanDerWaalsContact NE-OD2 3.16Å; R71-D547 IonicContact NH2-OD2 3.55Å; R71-D547 PolarHBondContact NH2-OD2 2.8Å
72	L	95.6	Very high	94.8	Very high	42 Å²	42	31.9 Å²	31.9	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.2	172.3	-51.4	-169	0	0	0	109.7	V63 A64 T66 A76 A77 Q80	V63-L72 CarbonylContact C-O 3.57Å; V63-L72 WeakPolarHBondContact CA-O 3.39Å; A64-L72 PolarHBondContact N-O 2.78Å; A64-L72 PolarHBondContact O-N 2.82Å; T66-L72 HydrophobicContact CG2-CD1 4.07Å; T66-L72 HydrophobicContact CG2-CD2 4.45Å; T66-L72 HydrophobicContact CG2-CG 3.97Å; L72-A76 HydrophobicContact CB-CB 4.08Å; L72-A76 HydrophobicContact CD1-CB 4.26Å; L72-A77 HydrophobicContact CB-CB 4.2Å; L72-Q80 HydrophobicContact CD1-CG 4.3Å
73	I	97.1	Very high	94.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.108	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146	178.7	-54.8	166.8	0	0	0	108.2	Y62 V63 R71 M144 V145 K148	Y62-I73 CarbonylContact O-C 3.57Å; Y62-I73 WeakPolarHBondContact O-CA 3.42Å; V63-I73 HydrophobicContact CG2-CG1 4.41Å; V63-I73 HydrophobicContact CG2-CG2 4.43Å; R71-I73 HydrophobicContact CG-CD1 4.39Å; R71-I73 HydrophobicContact CG-CG1 4.19Å; I73-M144 HydrophobicContact CD1-CB 3.94Å; I73-V145 HydrophobicContact CG2-CG2 4.49Å; I73-K148 HydrophobicContact CB-CB 4.33Å; I73-K148 HydrophobicContact CB-CG 4.17Å; I73-K148 HydrophobicContact CD1-CB 4.28Å; I73-K148 HydrophobicContact CG2-CB 3.73Å; I73-K148 HydrophobicContact CG2-CG 3.88Å
74	G	97.6	Very high	94.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-138.4	175.6	0	0	0	0	0	113.7	P60 Y62 A76 A77 K78	P60-G74 VanDerWaalsContact O-CA 3.31Å; P60-G74 WeakPolarHBondContact O-CA 3.39Å; Y62-G74 PolarHBondContact O-N 3.04Å; G74-A76 VanDerWaalsContact C-N 3.27Å; G74-A76 PolarHBondContact O-N 3.3Å; G74-A77 PolarHBondContact O-N 3.31Å; G74-A77 VanDerWaalsContact O-N 3.14Å; G74-K78 PolarHBondContact O-N 2.94Å
75	D	97.2	Very high	94.4	Very high	30 Å²	30	36.4 Å²	36.4	16%	0.16	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-39.9	-179.9	-70.5	-61.2	0	0	0	111.9	N52 Q54 P60 A77 K78 N79	N52-D75 PolarHBondContact ND2-OD2 2.99Å; Q54-D75 HydrophobicContact CG-CB 4.14Å; P60-D75 WeakPolarHBondContact CD-OD1 3.31Å; P60-D75 WeakPolarHBondContact CG-OD1 3.42Å; D75-A77 VanDerWaalsContact C-N 3.33Å; D75-A77 PolarHBondContact O-N 3.11Å; D75-K78 PolarHBondContact O-N 2.91Å; D75-N79 WeakPolarHBondContact O-CB 3.12Å; D75-N79 PolarHBondContact O-N 3.36Å; D75-N79 PolarHBondContact O-ND2 3.4Å
76	A	95.4	Very high	94.4	Very high	46 Å²	46	40 Å²	40	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-42.6	176.6	0	0	0	0	0	112.2	L72 G74	L72-A76 HydrophobicContact CB-CB 4.08Å; L72-A76 HydrophobicContact CD1-CB 4.26Å; G74-A76 VanDerWaalsContact C-N 3.27Å; G74-A76 PolarHBondContact O-N 3.3Å
77	A	97.7	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-46.1	175.6	0	0	0	0	0	111.8	Y62 A64 L72 G74 D75 N79 Q80	Y62-A77 WeakPolarHBondContact O-CB 3.18Å; A64-A77 HydrophobicContact CB-CB 3.74Å; L72-A77 HydrophobicContact CB-CB 4.2Å; G74-A77 PolarHBondContact O-N 3.31Å; G74-A77 VanDerWaalsContact O-N 3.14Å; D75-A77 VanDerWaalsContact C-N 3.33Å; D75-A77 PolarHBondContact O-N 3.11Å; A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 3.43Å; A77-Q80 VanDerWaalsContact O-CG 3.31Å; A77-Q80 WeakPolarHBondContact O-CG 3.31Å; A77-Q80 PolarHBondContact O-N 3.07Å
78	K	97	Very high	95.1	Very high	25 Å²	25	36.2 Å²	36.2	11%	0.109	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-37.2	178.9	-174.4	168.8	178.1	164.5	0	112.1	Y36 P60 Y62 G74 D75 Q80 L81 E289	Y36-K78 PolarHBondContact OH-NZ 3.34Å; P60-K78 HydrophobicContact CB-CB 4.09Å; P60-K78 HydrophobicContact CB-CD 3.91Å; P60-K78 HydrophobicContact CG-CB 4.19Å; P60-K78 HydrophobicContact CG-CD 3.81Å; Y62-K78 HydrophobicContact CD1-CB 4.09Å; Y62-K78 HydrophobicContact CD1-CG 4.36Å; Y62-K78 HydrophobicContact CD2-CB 4.35Å; Y62-K78 HydrophobicContact CD2-CD 4.49Å; Y62-K78 HydrophobicContact CE1-CG 4.29Å; Y62-K78 HydrophobicContact CE2-CD 4.21Å; Y62-K78 HydrophobicContact CE2-CG 4.49Å; Y62-K78 HydrophobicContact CG-CB 4.02Å; G74-K78 PolarHBondContact O-N 2.94Å; D75-K78 PolarHBondContact O-N 2.91Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; K78-Q80 PolarHBondContact O-N 3.43Å; K78-L81 VanDerWaalsContact O-CB 3.27Å; K78-L81 WeakPolarHBondContact O-CB 3.27Å; K78-L81 PolarHBondContact O-N 2.87Å; K78-E289 IonicContact NZ-OE1 3.36Å; K78-E289 IonicContact NZ-OE2 2.66Å; K78-E289 PolarHBondContact NZ-OE2 2.91Å
79	N	95.2	Very high	95.6	Very high	122 Å²	122	30.4 Å²	30.4	65%	0.652	18%	0.175	S	C	*	.	H	α-helix	trans	-63.7	-35.4	-179.4	-74.1	-21.8	0	0	0	113.2	D75 A77	D75-N79 WeakPolarHBondContact O-CB 3.12Å; D75-N79 PolarHBondContact O-N 3.36Å; D75-N79 PolarHBondContact O-ND2 3.4Å; A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 3.43Å
80	Q	94.4	Very high	96.1	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-86.7	-2.4	179.7	69.3	162.7	-37	0	0	114.8	A64 L72 A77 K78 T82 S83 N84	A64-Q80 HydrophobicContact CB-CG 3.99Å; L72-Q80 HydrophobicContact CD1-CG 4.3Å; A77-Q80 VanDerWaalsContact O-CG 3.31Å; A77-Q80 WeakPolarHBondContact O-CG 3.31Å; A77-Q80 PolarHBondContact O-N 3.07Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; K78-Q80 PolarHBondContact O-N 3.43Å; Q80-T82 PolarHBondContact O-N 2.77Å; Q80-S83 PolarHBondContact O-N 2.8Å; Q80-S83 PolarHBondContact O-OG 2.89Å; Q80-N84 PolarHBondContact O-N 2.83Å; Q80-N84 PolarHBondContact OE1-ND2 3.16Å
81	L	95.6	Very high	96.4	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-39.3	-176.6	176.5	67	0	0	0	113	Y62 K78 P85 T88 F90 Q282	Y62-L81 HydrophobicContact CE1-CD1 4.45Å; Y62-L81 HydrophobicContact CE1-CD2 4.13Å; K78-L81 VanDerWaalsContact O-CB 3.27Å; K78-L81 WeakPolarHBondContact O-CB 3.27Å; K78-L81 PolarHBondContact O-N 2.87Å; L81-P85 WeakPolarHBondContact O-CA 3.47Å; L81-P85 VanDerWaalsContact O-CB 3.25Å; L81-P85 WeakPolarHBondContact O-CB 3.14Å; L81-T88 HydrophobicContact CB-CG2 4.04Å; L81-T88 HydrophobicContact CD1-CG2 3.6Å; L81-T88 HydrophobicContact CG-CG2 4.42Å; L81-F90 HydrophobicContact CD1-CD1 4.09Å; L81-F90 HydrophobicContact CD1-CE1 3.91Å; L81-Q282 HydrophobicContact CD1-CG 4Å; L81-Q282 HydrophobicContact CD2-CB 4.32Å; L81-Q282 HydrophobicContact CG-CB 4Å; L81-Q282 HydrophobicContact CG-CG 4.01Å
82	T	94.3	Very high	96.5	Very high	19 Å²	19	26 Å²	26	12%	0.117	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.3	-177.2	66.4	0	0	0	0	114.4	Q80 R279 Q282 K283	Q80-T82 PolarHBondContact O-N 2.77Å; T82-R279 WeakPolarHBondContact O-CD 3.47Å; T82-R279 WeakPolarHBondContact O-CG 3.38Å; T82-R279 PolarHBondContact O-NE 3.43Å; T82-Q282 HydrophobicContact CG2-CB 4.43Å; T82-K283 HydrophobicContact CG2-CB 4.47Å; T82-K283 HydrophobicContact CG2-CG 3.95Å
83	S	94.7	Very high	96.5	Very high	84 Å²	84	24.5 Å²	24.5	59%	0.587	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-25.5	177.1	46	0	0	0	0	112.5	Q80	Q80-S83 PolarHBondContact O-N 2.8Å; Q80-S83 PolarHBondContact O-OG 2.89Å
84	N	96.2	Very high	96.4	Very high	14 Å²	14	24.3 Å²	24.3	8%	0.075	14%	0.138	C	C	.	.	S	Bend	trans	-137.3	56.9	-175.7	-171.4	21.5	0	0	0	111.7	F65 Q80 E86 N87 T88	F65-N84 PolarHBondContact O-ND2 2.88Å; Q80-N84 PolarHBondContact O-N 2.83Å; Q80-N84 PolarHBondContact OE1-ND2 3.16Å; N84-E86 PolarHBondContact O-N 2.88Å; N84-N87 PolarHBondContact O-N 2.91Å; N84-N87 WeakPolarHBondContact OD1-CB 3.37Å; N84-N87 PolarHBondContact OD1-ND2 2.66Å; N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.28Å; N84-T88 PolarHBondContact O-OG1 2.89Å
85	P	96.8	Very high	96.3	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.026	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-67.8	-36.5	-169.4	24.5	-30.2	0	0	0	113.2	L81 N87 T88 P113 K278 R279 Q282	L81-P85 WeakPolarHBondContact O-CA 3.47Å; L81-P85 VanDerWaalsContact O-CB 3.25Å; L81-P85 WeakPolarHBondContact O-CB 3.14Å; P85-N87 PolarHBondContact O-N 3.38Å; P85-T88 PolarHBondContact O-N 3Å; P85-P113 HydrophobicContact CB-CB 3.86Å; P85-P113 HydrophobicContact CB-CG 4.39Å; P85-P113 WeakPolarHBondContact O-CB 3.42Å; P85-P113 VanDerWaalsContact O-CG 3.25Å; P85-P113 WeakPolarHBondContact O-CG 3.23Å; P85-K278 HydrophobicContact CB-CB 4.45Å; P85-K278 HydrophobicContact CG-CB 4.18Å; P85-R279 HydrophobicContact CG-CB 4.46Å; P85-Q282 HydrophobicContact CB-CB 4.43Å; P85-Q282 HydrophobicContact CB-CG 3.55Å
86	E	97.2	Very high	96.1	Very high	76 Å²	76	22.9 Å²	22.9	36%	0.355	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-68.8	-21	-178.5	-63.6	78.9	-173.4	0	0	113.6	N84 F114 K278	N84-E86 PolarHBondContact O-N 2.88Å; E86-F114 WeakPolarHBondContact O-CB 3.22Å; E86-K278 HydrophobicContact CG-CD 3.79Å; E86-K278 WeakPolarHBondContact OE1-CD 3.18Å
87	N	97.9	Very high	95.8	Very high	19 Å²	19	21.6 Å²	21.6	10%	0.102	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-115.2	15.8	-179.4	-49	-61.6	0	0	0	112.4	A64 F65 N84 P85 V127 H128	A64-N87 CarbonylContact C-O 3.56Å; A64-N87 WeakPolarHBondContact CA-O 3.37Å; F65-N87 PolarHBondContact N-O 3.08Å; F65-N87 WeakPolarHBondContact O-CB 3.44Å; N84-N87 PolarHBondContact O-N 2.91Å; N84-N87 WeakPolarHBondContact OD1-CB 3.37Å; N84-N87 PolarHBondContact OD1-ND2 2.66Å; P85-N87 PolarHBondContact O-N 3.38Å; N87-V127 HydrophobicContact CB-CB 4.41Å; N87-H128 PolarHBondContact OD1-N 3.41Å
88	T	98.3	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.1	173.6	-59.5	0	0	0	0	109.2	Y62 A64 L81 N84 P85 F114	Y62-T88 HydrophobicContact CD1-CG2 3.86Å; A64-T88 HydrophobicContact CB-CG2 4Å; A64-T88 WeakPolarHBondContact CB-OG1 3.36Å; L81-T88 HydrophobicContact CB-CG2 4.04Å; L81-T88 HydrophobicContact CD1-CG2 3.6Å; L81-T88 HydrophobicContact CG-CG2 4.42Å; N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.28Å; N84-T88 PolarHBondContact O-OG1 2.89Å; P85-T88 PolarHBondContact O-N 3Å; T88-F114 WeakPolarHBondContact O-CD1 3.41Å
89	V	98.4	Very high	95.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.6	-177.1	-168.6	0	0	0	0	110.1	Y62 V63 V92 F114 V125 V127 I141	Y62-V89 WeakPolarHBondContact CA-O 3.27Å; V63-V89 PolarHBondContact N-O 2.61Å; V63-V89 WeakPolarHBondContact O-CA 3.09Å; V63-V89 PolarHBondContact O-N 2.89Å; V89-V92 HydrophobicContact CG1-CB 4.29Å; V89-V92 HydrophobicContact CG1-CG2 4.48Å; V89-F114 HydrophobicContact CB-CE1 4.42Å; V89-F114 HydrophobicContact CG1-CE1 4.14Å; V89-F114 HydrophobicContact CG1-CE2 4.19Å; V89-F114 HydrophobicContact CG1-CZ 3.93Å; V89-V125 HydrophobicContact CG1-CG1 4.07Å; V89-V125 HydrophobicContact CG1-CG2 4.22Å; V89-V125 HydrophobicContact CG2-CG1 3.61Å; V89-V127 HydrophobicContact CG2-CG1 3.94Å; V89-I141 HydrophobicContact CB-CG2 4.33Å; V89-I141 HydrophobicContact CG1-CG1 4.45Å; V89-I141 HydrophobicContact CG1-CG2 3.98Å
90	F	97.7	Very high	95.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.107	C	C	.	.			trans	-146.4	170.2	175.5	61.7	-87	0	0	0	109.3	Y62 L81 V92 F112 P113 F114	Y62-F90 HydrophobicContact CD1-CB 3.62Å; Y62-F90 HydrophobicContact CD1-CD1 4.34Å; Y62-F90 HydrophobicContact CD1-CG 4.29Å; Y62-F90 HydrophobicContact CD2-CB 4.01Å; Y62-F90 HydrophobicContact CE1-CB 3.37Å; Y62-F90 AromaticContact CE1-CD1 3.76Å; Y62-F90 HydrophobicContact CE1-CD1 3.76Å; Y62-F90 HydrophobicContact CE1-CD2 4.49Å; Y62-F90 AromaticContact CE1-CG 3.63Å; Y62-F90 HydrophobicContact CE1-CG 3.63Å; Y62-F90 HydrophobicContact CE2-CB 3.81Å; Y62-F90 HydrophobicContact CG-CB 3.92Å; Y62-F90 VanDerWaalsContact CZ-CB 3.47Å; Y62-F90 AromaticContact CZ-CG 3.81Å; L81-F90 HydrophobicContact CD1-CD1 4.09Å; L81-F90 HydrophobicContact CD1-CE1 3.91Å; F90-V92 PolarHBondContact O-N 2.8Å; F90-F112 HydrophobicContact CE2-CD1 4.46Å; F90-P113 HydrophobicContact CE1-CG 3.73Å; F90-P113 HydrophobicContact CZ-CG 4.32Å; F90-F114 HydrophobicContact CD1-CE1 4.03Å; F90-F114 HydrophobicContact CE1-CE1 4.09Å
91	D	96.1	Very high	95.2	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.032	13%	0.128	C	C	.	.			trans	53.4	21.8	-177.1	-63.6	-21.6	0	0	0	114.5	T34 K93 R94 F112 E252	T34-D91 HydrophobicContact CG2-CB 4.13Å; D91-K93 PolarHBondContact O-N 3Å; D91-R94 HydrophobicContact CB-CG 4.46Å; D91-R94 WeakPolarHBondContact O-CB 3.37Å; D91-R94 PolarHBondContact O-N 2.88Å; D91-F112 HydrophobicContact CB-CE1 3.98Å; D91-F112 HydrophobicContact CB-CZ 4.4Å; D91-E252 WeakPolarHBondContact OD2-CG 3.23Å
92	V	96.7	Very high	94.9	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.4	-175.7	74.2	0	0	0	0	112.6	V89 F90 R94 L95 I96 P138 I141	V89-V92 HydrophobicContact CG1-CB 4.29Å; V89-V92 HydrophobicContact CG1-CG2 4.48Å; F90-V92 PolarHBondContact O-N 2.8Å; V92-R94 PolarHBondContact O-N 2.7Å; V92-L95 WeakPolarHBondContact O-CB 3.25Å; V92-L95 PolarHBondContact O-N 3.23Å; V92-I96 PolarHBondContact O-N 3.2Å; V92-P138 HydrophobicContact CG2-CB 3.86Å; V92-I141 HydrophobicContact CB-CB 4.37Å; V92-I141 HydrophobicContact CB-CG2 4.01Å; V92-I141 HydrophobicContact CG1-CB 4.15Å; V92-I141 HydrophobicContact CG1-CG2 3.72Å; V92-I141 HydrophobicContact CG2-CB 3.88Å; V92-I141 HydrophobicContact CG2-CG1 4.32Å; V92-I141 HydrophobicContact CG2-CG2 4.06Å
93	K	95.1	Very high	94.8	Very high	10 Å²	10	28.1 Å²	28.1	4%	0.043	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.2	-24.6	173.3	-165.8	178	-175.8	-175.8	0	112.4	L32 D91 L95 I96 F172 E197	L32-K93 WeakPolarHBondContact O-CD 3.03Å; L32-K93 WeakPolarHBondContact O-CE 3.31Å; L32-K93 PolarHBondContact O-NZ 2.8Å; D91-K93 PolarHBondContact O-N 3Å; K93-L95 PolarHBondContact O-N 3.04Å; K93-I96 HydrophobicContact CG-CG2 4.34Å; K93-I96 VanDerWaalsContact O-CG2 3.27Å; K93-I96 WeakPolarHBondContact O-CG2 3.41Å; K93-F172 HydrophobicContact CG-CZ 4.08Å; K93-E197 IonicContact NZ-OE1 3.07Å; K93-E197 PolarHBondContact NZ-OE1 3.23Å
94	R	94.3	Very high	94.6	Very high	16 Å²	16	26.1 Å²	26.1	6%	0.06	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-66.8	-24.8	172.4	-67	-175.9	173.3	-106.6	-0.5	112.9	T34 D91 V92 R98 D108 G224 D253	T34-R94 HydrophobicContact CG2-CG 4.14Å; D91-R94 HydrophobicContact CB-CG 4.46Å; D91-R94 WeakPolarHBondContact O-CB 3.37Å; D91-R94 PolarHBondContact O-N 2.88Å; V92-R94 PolarHBondContact O-N 2.7Å; R94-R98 WeakPolarHBondContact O-CG 3.45Å; R94-D108 IonicContact NH1-OD1 2.71Å; R94-D108 PolarHBondContact NH1-OD1 2.86Å; R94-G224 VanDerWaalsContact NH2-CA 3.26Å; R94-D253 IonicContact CZ-OD2 3.02Å; R94-D253 IonicContact NH1-OD1 2.67Å; R94-D253 IonicContact NH2-OD1 2.68Å; R94-D253 PolarHBondContact NH2-OD1 2.96Å; R94-D253 IonicContact NH2-OD2 3.66Å; R94-D253 PolarHBondContact NH2-OD2 2.89Å
95	L	95.4	Very high	94.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-16.3	-178.1	-56.2	-179.2	0	0	0	113.5	V92 K93 G97 R98 V105 F112 V116 P123 V125 P138	V92-L95 WeakPolarHBondContact O-CB 3.25Å; V92-L95 PolarHBondContact O-N 3.23Å; K93-L95 PolarHBondContact O-N 3.04Å; L95-G97 PolarHBondContact O-N 3.09Å; L95-R98 WeakPolarHBondContact O-CB 3.4Å; L95-R98 PolarHBondContact O-N 3.43Å; L95-V105 HydrophobicContact CD2-CG1 3.84Å; L95-V105 HydrophobicContact CD2-CG2 4.38Å; L95-F112 HydrophobicContact CD1-CE2 4.18Å; L95-F112 HydrophobicContact CD2-CE2 4.23Å; L95-F112 HydrophobicContact CG-CE2 4.38Å; L95-V116 HydrophobicContact CD1-CG2 4.31Å; L95-P123 HydrophobicContact CB-CG 4.23Å; L95-V125 HydrophobicContact CD1-CG2 4.24Å; L95-P138 HydrophobicContact CB-CB 4.03Å; L95-P138 HydrophobicContact CB-CG 3.64Å
96	I	93.3	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	128.7	-173.3	-156.4	172.9	0	0	0	111.2	V92 K93 R98 P138 E139 F172 Q176 A179	V92-I96 PolarHBondContact O-N 3.2Å; K93-I96 HydrophobicContact CG-CG2 4.34Å; K93-I96 VanDerWaalsContact O-CG2 3.27Å; K93-I96 WeakPolarHBondContact O-CG2 3.41Å; I96-R98 PolarHBondContact O-N 3.35Å; I96-P138 HydrophobicContact CB-CB 4.34Å; I96-E139 HydrophobicContact CG1-CG 4.21Å; I96-F172 HydrophobicContact CG2-CE2 3.89Å; I96-F172 HydrophobicContact CG2-CZ 4.01Å; I96-Q176 WeakPolarHBondContact O-CG 3.41Å; I96-A179 HydrophobicContact CD1-CB 4.26Å; I96-A179 HydrophobicContact CG1-CB 3.63Å
97	G	90.8	Very high	94.4	Very high	19 Å²	19	29.8 Å²	29.8	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	11.8	-178.8	0	0	0	0	0	115.9	L95	L95-G97 PolarHBondContact O-N 3.09Å
98	R	91.6	Very high	94.2	Very high	30 Å²	30	29.5 Å²	29.5	11%	0.113	16%	0.16	C	C	.	.			trans	-97.9	159.8	-179.5	-62.8	-67.3	-172.1	169.4	-5.3	112.8	R94 L95 I96 E102 V105 P123 T247	R94-R98 WeakPolarHBondContact O-CG 3.45Å; L95-R98 WeakPolarHBondContact O-CB 3.4Å; L95-R98 PolarHBondContact O-N 3.43Å; I96-R98 PolarHBondContact O-N 3.35Å; R98-E102 VanDerWaalsContact CD-OE2 3.29Å; R98-E102 WeakPolarHBondContact CD-OE2 3.46Å; R98-E102 IonicContact CZ-OE2 2.62Å; R98-E102 IonicContact NE-OE2 3.86Å; R98-E102 IonicContact NH1-OE2 3.06Å; R98-E102 PolarHBondContact NH1-OE2 2.7Å; R98-V105 HydrophobicContact CB-CG2 3.57Å; R98-V105 HydrophobicContact CG-CG2 4.06Å; R98-P123 WeakPolarHBondContact O-CD 3.23Å; R98-T247 PolarHBondContact NH2-OG1 3.07Å
99	K	90.8	Very high	94.1	Very high	40 Å²	40	31.3 Å²	31.3	17%	0.174	17%	0.169	C	C	.	.			trans	-91.3	146	171.5	-58.6	174.8	-174	178.6	0	111.2	D101 E102 V105 N121 H526	K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 WeakPolarHBondContact CB-OD1 3.46Å; K99-D101 PolarHBondContact O-N 2.92Å; K99-E102 HydrophobicContact CB-CG 4.12Å; K99-E102 PolarHBondContact N-OE1 3.03Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.72Å; K99-V105 WeakPolarHBondContact O-CG2 3.49Å; K99-N121 CarbonylContact C-O 3.53Å; K99-N121 WeakPolarHBondContact CA-O 3.39Å; K99-H526 WeakPolarHBondContact CE-NE2 3.28Å
100	F	94.3	Very high	93.9	Very high	38 Å²	38	36.1 Å²	36.1	17%	0.167	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.1	-178.6	-179.2	-90.1	0	0	0	111.6	E102 Q106 I109 V116 N118 N121 P123	F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 3.4Å; F100-Q106 PolarHBondContact O-NE2 3.5Å; F100-I109 HydrophobicContact CD2-CD1 4.48Å; F100-I109 HydrophobicContact CE2-CD1 4.04Å; F100-V116 HydrophobicContact CD2-CG1 4.42Å; F100-V116 HydrophobicContact CE2-CG1 4.23Å; F100-N118 HydrophobicContact CB-CB 4.32Å; F100-N118 HydrophobicContact CD1-CB 3.64Å; F100-N118 WeakPolarHBondContact CD1-ND2 3.3Å; F100-N118 HydrophobicContact CD2-CB 3.8Å; F100-N118 HydrophobicContact CE1-CB 3.8Å; F100-N118 HydrophobicContact CE2-CB 3.95Å; F100-N118 HydrophobicContact CG-CB 3.63Å; F100-N118 HydrophobicContact CZ-CB 3.95Å; F100-N121 PolarHBondContact N-O 3.18Å; F100-P123 HydrophobicContact CD2-CB 4.13Å
101	D	93.5	Very high	93.6	Very high	102 Å²	102	39.4 Å²	39.4	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.7	-177.3	63.8	-13.5	0	0	0	115.1	K99 S103 N121	K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 WeakPolarHBondContact CB-OD1 3.46Å; K99-D101 PolarHBondContact O-N 2.92Å; D101-S103 PolarHBondContact O-N 2.88Å; D101-N121 VanDerWaalsContact CG-OD1 3.25Å; D101-N121 PolarHBondContact N-OD1 3.26Å; D101-N121 PolarHBondContact OD1-ND2 2.66Å; D101-N121 PolarHBondContact OD1-OD1 3.27Å; D101-N121 PolarHBondContact OD2-ND2 3.27Å
102	E	90.7	Very high	93.7	Very high	35 Å²	35	40.1 Å²	40.1	16%	0.164	22%	0.217	C	C	.	.			trans	-62.5	133.9	173.9	-80.2	175.3	-126.5	0	0	111.1	R98 K99 F100 T104 V105 Q106	R98-E102 VanDerWaalsContact CD-OE2 3.29Å; R98-E102 WeakPolarHBondContact CD-OE2 3.46Å; R98-E102 IonicContact CZ-OE2 2.62Å; R98-E102 IonicContact NE-OE2 3.86Å; R98-E102 IonicContact NH1-OE2 3.06Å; R98-E102 PolarHBondContact NH1-OE2 2.7Å; K99-E102 HydrophobicContact CB-CG 4.12Å; K99-E102 PolarHBondContact N-OE1 3.03Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.72Å; F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 3.4Å; E102-T104 PolarHBondContact O-N 3.43Å; E102-V105 HydrophobicContact CB-CB 4.28Å; E102-V105 HydrophobicContact CB-CG2 4.07Å; E102-V105 PolarHBondContact O-N 3.44Å; E102-V105 VanDerWaalsContact O-N 3.13Å; E102-Q106 PolarHBondContact O-N 3.31Å
103	S	91.7	Very high	93.6	Very high	87 Å²	87	39.8 Å²	39.8	61%	0.608	22%	0.215	S	C	*	.	H	α-helix	trans	-59.1	-33.3	-177.6	60.4	0	0	0	0	113.6	D101 N107	D101-S103 PolarHBondContact O-N 2.88Å; S103-N107 PolarHBondContact O-N 3.38Å; S103-N107 PolarHBondContact O-ND2 2.82Å
104	T	90.1	Very high	93.8	Very high	41 Å²	41	39.7 Å²	39.7	25%	0.252	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-43.9	177.7	51.3	0	0	0	0	111.4	E102 Q106 N107 D108 H248	E102-T104 PolarHBondContact O-N 3.43Å; T104-Q106 VanDerWaalsContact C-N 3.34Å; T104-Q106 PolarHBondContact O-N 3.48Å; T104-N107 WeakPolarHBondContact O-CB 3.3Å; T104-N107 PolarHBondContact O-N 2.87Å; T104-D108 PolarHBondContact O-N 2.88Å; T104-H248 WeakPolarHBondContact CB-NE2 3.26Å
105	V	93.8	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-45.1	173.8	171.8	0	0	0	0	110.9	L95 R98 K99 E102 N107 D108 I109 P123	L95-V105 HydrophobicContact CD2-CG1 3.84Å; L95-V105 HydrophobicContact CD2-CG2 4.38Å; R98-V105 HydrophobicContact CB-CG2 3.57Å; R98-V105 HydrophobicContact CG-CG2 4.06Å; K99-V105 WeakPolarHBondContact O-CG2 3.49Å; E102-V105 HydrophobicContact CB-CB 4.28Å; E102-V105 HydrophobicContact CB-CG2 4.07Å; E102-V105 PolarHBondContact O-N 3.44Å; E102-V105 VanDerWaalsContact O-N 3.13Å; V105-N107 VanDerWaalsContact C-N 3.3Å; V105-N107 PolarHBondContact O-N 3.48Å; V105-D108 PolarHBondContact O-N 3.4Å; V105-I109 HydrophobicContact CG1-CD1 3.83Å; V105-I109 HydrophobicContact CG1-CG1 4.39Å; V105-I109 WeakPolarHBondContact O-CG1 3.11Å; V105-I109 PolarHBondContact O-N 2.98Å; V105-P123 HydrophobicContact CG1-CB 4.37Å
106	Q	97	Very high	94	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-38.3	177.2	-69.7	-61.5	-58.3	0	0	112.4	F100 E102 T104 T110	F100-Q106 PolarHBondContact O-NE2 3.5Å; E102-Q106 PolarHBondContact O-N 3.31Å; T104-Q106 VanDerWaalsContact C-N 3.34Å; T104-Q106 PolarHBondContact O-N 3.48Å; Q106-T110 WeakPolarHBondContact O-CG2 3.32Å
107	N	94.4	Very high	94.2	Very high	99 Å²	99	43.6 Å²	43.6	53%	0.529	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-47	175.3	-67.8	-24.9	0	0	0	111.5	S103 T104 V105 I109 T110 H111	S103-N107 PolarHBondContact O-N 3.38Å; S103-N107 PolarHBondContact O-ND2 2.82Å; T104-N107 WeakPolarHBondContact O-CB 3.3Å; T104-N107 PolarHBondContact O-N 2.87Å; V105-N107 VanDerWaalsContact C-N 3.3Å; V105-N107 PolarHBondContact O-N 3.48Å; N107-I109 VanDerWaalsContact C-N 3.31Å; N107-I109 PolarHBondContact O-N 2.89Å; N107-T110 WeakPolarHBondContact O-CB 3.29Å; N107-T110 PolarHBondContact O-N 3.35Å; N107-T110 VanDerWaalsContact O-N 3.11Å; N107-T110 PolarHBondContact O-OG1 2.85Å; N107-H111 PolarHBondContact O-CD2 3.04Å
108	D	94.7	Very high	94.5	Very high	14 Å²	14	46.5 Å²	46.5	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-41.8	178.5	-72.3	-27.4	0	0	0	111.6	R94 T104 V105 T110 H111 F112 H248	R94-D108 IonicContact NH1-OD1 2.71Å; R94-D108 PolarHBondContact NH1-OD1 2.86Å; T104-D108 PolarHBondContact O-N 2.88Å; V105-D108 PolarHBondContact O-N 3.4Å; D108-T110 PolarHBondContact O-N 3.47Å; D108-T110 VanDerWaalsContact O-N 3.13Å; D108-H111 PolarHBondContact O-N 2.83Å; D108-F112 HydrophobicContact CB-CE2 3.89Å; D108-F112 HydrophobicContact CB-CZ 3.8Å; D108-H248 IonicContact OD1-CD2 2.72Å; D108-H248 IonicContact OD2-CD2 3.47Å; D108-H248 IonicContact OD2-NE2 2.7Å
109	I	96.2	Very high	94.6	Very high	37 Å²	37	49.2 Å²	49.2	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-33.5	177.4	-70.8	167.3	0	0	0	112.1	F100 V105 N107 H111 F112 V116	F100-I109 HydrophobicContact CD2-CD1 4.48Å; F100-I109 HydrophobicContact CE2-CD1 4.04Å; V105-I109 HydrophobicContact CG1-CD1 3.83Å; V105-I109 HydrophobicContact CG1-CG1 4.39Å; V105-I109 WeakPolarHBondContact O-CG1 3.11Å; V105-I109 PolarHBondContact O-N 2.98Å; N107-I109 VanDerWaalsContact C-N 3.31Å; N107-I109 PolarHBondContact O-N 2.89Å; I109-H111 PolarHBondContact O-N 2.86Å; I109-F112 PolarHBondContact O-N 2.85Å; I109-V116 HydrophobicContact CD1-CB 3.92Å; I109-V116 HydrophobicContact CD1-CG1 3.8Å; I109-V116 HydrophobicContact CG1-CB 3.84Å; I109-V116 HydrophobicContact CG1-CG1 4.07Å; I109-V116 HydrophobicContact CG1-CG2 4.02Å; I109-V116 HydrophobicContact CG2-CB 4.49Å
110	T	93.6	Very high	94.5	Very high	103 Å²	103	55.4 Å²	55.4	63%	0.632	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.9	179.3	73.1	0	0	0	0	113.9	Q106 N107 D108	Q106-T110 WeakPolarHBondContact O-CG2 3.32Å; N107-T110 WeakPolarHBondContact O-CB 3.29Å; N107-T110 PolarHBondContact O-N 3.35Å; N107-T110 VanDerWaalsContact O-N 3.11Å; N107-T110 PolarHBondContact O-OG1 2.85Å; D108-T110 PolarHBondContact O-N 3.47Å; D108-T110 VanDerWaalsContact O-N 3.13Å
111	H	92.3	Very high	94.3	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.319	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-10.1	-177.3	-60.4	-54.1	0	0	0	113.6	N107 D108 I109 Q256	N107-H111 PolarHBondContact O-CD2 3.04Å; D108-H111 PolarHBondContact O-N 2.83Å; I109-H111 PolarHBondContact O-N 2.86Å; H111-Q256 VanDerWaalsContact ND1-CD 3.33Å; H111-Q256 PolarHBondContact ND1-NE2 2.93Å
112	F	96.5	Very high	94.3	Very high	21 Å²	21	51.2 Å²	51.2	9%	0.092	27%	0.271	C	S	.	.			trans	-83.5	139.8	-179.4	-61.2	-35.3	0	0	0	112.8	F90 D91 L95 D108 I109 F114 V116	F90-F112 HydrophobicContact CE2-CD1 4.46Å; D91-F112 HydrophobicContact CB-CE1 3.98Å; D91-F112 HydrophobicContact CB-CZ 4.4Å; L95-F112 HydrophobicContact CD1-CE2 4.18Å; L95-F112 HydrophobicContact CD2-CE2 4.23Å; L95-F112 HydrophobicContact CG-CE2 4.38Å; D108-F112 HydrophobicContact CB-CE2 3.89Å; D108-F112 HydrophobicContact CB-CZ 3.8Å; I109-F112 PolarHBondContact O-N 2.85Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F112-F114 HydrophobicContact CB-CD1 4.26Å; F112-F114 HydrophobicContact CB-CD2 4.1Å; F112-F114 HydrophobicContact CB-CE1 3.96Å; F112-F114 HydrophobicContact CB-CE2 3.8Å; F112-F114 HydrophobicContact CB-CG 4.32Å; F112-F114 HydrophobicContact CB-CZ 3.72Å; F112-F114 HydrophobicContact CD1-CE1 4.12Å; F112-F114 HydrophobicContact CD1-CE2 4.37Å; F112-F114 AromaticContact CD1-CZ 3.67Å; F112-F114 HydrophobicContact CD1-CZ 3.67Å; F112-F114 AromaticContact CD2-CE2 3.66Å; F112-F114 HydrophobicContact CD2-CE2 3.66Å; F112-F114 AromaticContact CD2-CZ 3.78Å; F112-F114 HydrophobicContact CD2-CZ 3.78Å; F112-F114 HydrophobicContact CE1-CZ 4.22Å; F112-F114 HydrophobicContact CE2-CE2 4.34Å; F112-F114 HydrophobicContact CE2-CZ 4.32Å; F112-F114 HydrophobicContact CG-CD2 4.48Å; F112-F114 HydrophobicContact CG-CE1 4.05Å; F112-F114 AromaticContact CG-CE2 3.7Å; F112-F114 HydrophobicContact CG-CE2 3.7Å; F112-F114 AromaticContact CG-CZ 3.44Å; F112-F114 HydrophobicContact CG-CZ 3.44Å; F112-F114 VanDerWaalsContact CG-CZ 3.44Å; F112-V116 HydrophobicContact CD2-CG2 4.13Å
113	P	96.4	Very high	94.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.013	26%	0.263	C	S	.	.	S	Bend	trans	-77.4	-21	171.7	30.3	-33.1	0	0	0	113.2	P85 F90 K278 Q282	P85-P113 HydrophobicContact CB-CB 3.86Å; P85-P113 HydrophobicContact CB-CG 4.39Å; P85-P113 WeakPolarHBondContact O-CB 3.42Å; P85-P113 VanDerWaalsContact O-CG 3.25Å; P85-P113 WeakPolarHBondContact O-CG 3.23Å; F90-P113 HydrophobicContact CE1-CG 3.73Å; F90-P113 HydrophobicContact CZ-CG 4.32Å; P113-K278 HydrophobicContact CB-CB 4.43Å; P113-K278 HydrophobicContact CB-CD 4.48Å; P113-K278 WeakPolarHBondContact O-CD 3.26Å; P113-K278 WeakPolarHBondContact O-CE 3.21Å; P113-K278 PolarHBondContact O-NZ 2.93Å; P113-Q282 HydrophobicContact CB-CG 4.29Å; P113-Q282 HydrophobicContact CG-CG 4.31Å
114	F	97.3	Very high	94.8	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	-92.2	161.3	179.3	50.6	-95.3	0	0	0	111.9	E86 T88 V89 F90 F112 V116 V125	E86-F114 WeakPolarHBondContact O-CB 3.22Å; T88-F114 WeakPolarHBondContact O-CD1 3.41Å; V89-F114 HydrophobicContact CB-CE1 4.42Å; V89-F114 HydrophobicContact CG1-CE1 4.14Å; V89-F114 HydrophobicContact CG1-CE2 4.19Å; V89-F114 HydrophobicContact CG1-CZ 3.93Å; F90-F114 HydrophobicContact CD1-CE1 4.03Å; F90-F114 HydrophobicContact CE1-CE1 4.09Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F112-F114 HydrophobicContact CB-CD1 4.26Å; F112-F114 HydrophobicContact CB-CD2 4.1Å; F112-F114 HydrophobicContact CB-CE1 3.96Å; F112-F114 HydrophobicContact CB-CE2 3.8Å; F112-F114 HydrophobicContact CB-CG 4.32Å; F112-F114 HydrophobicContact CB-CZ 3.72Å; F112-F114 HydrophobicContact CD1-CE1 4.12Å; F112-F114 HydrophobicContact CD1-CE2 4.37Å; F112-F114 AromaticContact CD1-CZ 3.67Å; F112-F114 HydrophobicContact CD1-CZ 3.67Å; F112-F114 AromaticContact CD2-CE2 3.66Å; F112-F114 HydrophobicContact CD2-CE2 3.66Å; F112-F114 AromaticContact CD2-CZ 3.78Å; F112-F114 HydrophobicContact CD2-CZ 3.78Å; F112-F114 HydrophobicContact CE1-CZ 4.22Å; F112-F114 HydrophobicContact CE2-CE2 4.34Å; F112-F114 HydrophobicContact CE2-CZ 4.32Å; F112-F114 HydrophobicContact CG-CD2 4.48Å; F112-F114 HydrophobicContact CG-CE1 4.05Å; F112-F114 AromaticContact CG-CE2 3.7Å; F112-F114 HydrophobicContact CG-CE2 3.7Å; F112-F114 AromaticContact CG-CZ 3.44Å; F112-F114 HydrophobicContact CG-CZ 3.44Å; F112-F114 VanDerWaalsContact CG-CZ 3.44Å; F114-V116 HydrophobicContact CD2-CG2 4.06Å; F114-V116 HydrophobicContact CE2-CG2 3.97Å; F114-V125 HydrophobicContact CD2-CG1 3.7Å; F114-V125 HydrophobicContact CD2-CG2 4.38Å; F114-V125 HydrophobicContact CE2-CG1 4.21Å; F114-V125 HydrophobicContact CE2-CG2 4.15Å; F114-V125 HydrophobicContact CG-CG1 4.27Å
115	S	97.3	Very high	95.2	Very high	49 Å²	49	44.3 Å²	44.3	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.1	179.9	-178.8	0	0	0	0	110.5	E126	S115-E126 PolarHBondContact O-N 2.94Å; S115-E126 PolarHBondContact OG-OE1 3.19Å
116	V	98.1	Very high	95.4	Very high	15 Å²	15	47.6 Å²	47.6	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.2	171.2	-177.3	0	0	0	0	108.4	L95 F100 I109 F112 F114 P123 Y124	L95-V116 HydrophobicContact CD1-CG2 4.31Å; F100-V116 HydrophobicContact CD2-CG1 4.42Å; F100-V116 HydrophobicContact CE2-CG1 4.23Å; I109-V116 HydrophobicContact CD1-CB 3.92Å; I109-V116 HydrophobicContact CD1-CG1 3.8Å; I109-V116 HydrophobicContact CG1-CB 3.84Å; I109-V116 HydrophobicContact CG1-CG1 4.07Å; I109-V116 HydrophobicContact CG1-CG2 4.02Å; I109-V116 HydrophobicContact CG2-CB 4.49Å; F112-V116 HydrophobicContact CD2-CG2 4.13Å; F114-V116 HydrophobicContact CD2-CG2 4.06Å; F114-V116 HydrophobicContact CE2-CG2 3.97Å; V116-P123 HydrophobicContact CG1-CB 3.66Å; V116-Y124 CarbonylContact C-O 3.56Å; V116-Y124 VanDerWaalsContact CA-O 3.28Å; V116-Y124 WeakPolarHBondContact CA-O 3.4Å
117	V	97.3	Very high	95.4	Very high	35 Å²	35	44.3 Å²	44.3	21%	0.212	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.5	-175	-60.1	0	0	0	0	111.3	Y124 E126 T135	V117-Y124 PolarHBondContact N-O 2.93Å; V117-Y124 PolarHBondContact O-N 2.93Å; V117-E126 HydrophobicContact CG1-CB 4.09Å; V117-E126 HydrophobicContact CG2-CB 4.38Å; V117-T135 HydrophobicContact CG2-CG2 4.03Å
118	N	96.2	Very high	95.5	Very high	80 Å²	80	44 Å²	44	43%	0.428	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.4	178.4	-175.3	-16	0	0	0	110.8	F100 N121	F100-N118 HydrophobicContact CB-CB 4.32Å; F100-N118 HydrophobicContact CD1-CB 3.64Å; F100-N118 WeakPolarHBondContact CD1-ND2 3.3Å; F100-N118 HydrophobicContact CD2-CB 3.8Å; F100-N118 HydrophobicContact CE1-CB 3.8Å; F100-N118 HydrophobicContact CE2-CB 3.95Å; F100-N118 HydrophobicContact CG-CB 3.63Å; F100-N118 HydrophobicContact CZ-CB 3.95Å; N118-N121 WeakPolarHBondContact OD1-CA 3.37Å; N118-N121 PolarHBondContact OD1-N 2.65Å
119	K	93.5	Very high	95.3	Very high	88 Å²	88	44 Å²	44	38%	0.383	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.3	164.9	-66.2	-172.5	171.1	-175.2	0	109.6	N121 K122 Y124 T135	K119-N121 PolarHBondContact O-N 2.96Å; K119-K122 PolarHBondContact N-O 2.84Å; K119-K122 WeakPolarHBondContact O-CB 3.04Å; K119-K122 PolarHBondContact O-N 3.49Å; K119-Y124 HydrophobicContact CB-CD2 3.65Å; K119-Y124 HydrophobicContact CB-CE2 3.73Å; K119-Y124 HydrophobicContact CB-CG 4.37Å; K119-Y124 HydrophobicContact CD-CD1 3.99Å; K119-Y124 HydrophobicContact CD-CD2 3.95Å; K119-Y124 HydrophobicContact CD-CE1 4.23Å; K119-Y124 HydrophobicContact CD-CE2 4.17Å; K119-Y124 HydrophobicContact CD-CG 3.86Å; K119-Y124 HydrophobicContact CG-CD2 3.98Å; K119-Y124 HydrophobicContact CG-CE2 4.39Å; K119-Y124 HydrophobicContact CG-CG 4.22Å; K119-T135 PolarHBondContact NZ-OG1 3.49Å
120	K	89.2	Confident	95	Very high	169 Å²	169	43.2 Å²	43.2	74%	0.735	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.5	179.7	-54.7	174.6	-175.4	164.9	0	113	K122 E532	K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.71Å; K120-E532 IonicContact NZ-OE1 2.75Å; K120-E532 PolarHBondContact NZ-OE1 2.75Å
121	N	91	Very high	94.7	Very high	38 Å²	38	44.1 Å²	44.1	20%	0.203	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	20.1	-174.3	-155.4	34.1	0	0	0	115.8	K99 F100 D101 N118 K119	K99-N121 CarbonylContact C-O 3.53Å; K99-N121 WeakPolarHBondContact CA-O 3.39Å; F100-N121 PolarHBondContact N-O 3.18Å; D101-N121 VanDerWaalsContact CG-OD1 3.25Å; D101-N121 PolarHBondContact N-OD1 3.26Å; D101-N121 PolarHBondContact OD1-ND2 2.66Å; D101-N121 PolarHBondContact OD1-OD1 3.27Å; D101-N121 PolarHBondContact OD2-ND2 3.27Å; N118-N121 WeakPolarHBondContact OD1-CA 3.37Å; N118-N121 PolarHBondContact OD1-N 2.65Å; K119-N121 PolarHBondContact O-N 2.96Å
122	K	92.6	Very high	94.8	Very high	14 Å²	14	46.2 Å²	46.2	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.9	170.9	-175.1	173.6	-178.5	171.5	0	109.7	K119 K120 Y124 E139	K119-K122 PolarHBondContact N-O 2.84Å; K119-K122 WeakPolarHBondContact O-CB 3.04Å; K119-K122 PolarHBondContact O-N 3.49Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.71Å; K122-Y124 HydrophobicContact CB-CD2 4.41Å; K122-Y124 HydrophobicContact CB-CE2 4.01Å; K122-Y124 HydrophobicContact CD-CE2 3.86Å; K122-Y124 HydrophobicContact CG-CD2 4.31Å; K122-Y124 HydrophobicContact CG-CE2 3.89Å; K122-E139 WeakPolarHBondContact CE-OE1 3.36Å; K122-E139 WeakPolarHBondContact CE-OE2 3.36Å; K122-E139 IonicContact NZ-OE1 2.96Å; K122-E139 PolarHBondContact NZ-OE1 3.18Å; K122-E139 IonicContact NZ-OE2 2.68Å; K122-E139 PolarHBondContact NZ-OE2 2.9Å
123	P	96	Very high	94.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.7	175.9	30	-32.1	0	0	0	110	L95 R98 F100 V105 V116 P138	L95-P123 HydrophobicContact CB-CG 4.23Å; R98-P123 WeakPolarHBondContact O-CD 3.23Å; F100-P123 HydrophobicContact CD2-CB 4.13Å; V105-P123 HydrophobicContact CG1-CB 4.37Å; V116-P123 HydrophobicContact CG1-CB 3.66Å; P123-P138 HydrophobicContact CG-CG 4.38Å; P123-P138 WeakPolarHBondContact O-CD 3.26Å; P123-P138 WeakPolarHBondContact O-CG 3.5Å
124	Y	97.6	Very high	94.7	Very high	19 Å²	19	52.3 Å²	52.3	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.2	170.9	-82.8	-111.4	0	0	0	109	V116 V117 K119 K122 F136 A137	V116-Y124 CarbonylContact C-O 3.56Å; V116-Y124 VanDerWaalsContact CA-O 3.28Å; V116-Y124 WeakPolarHBondContact CA-O 3.4Å; V117-Y124 PolarHBondContact N-O 2.93Å; V117-Y124 PolarHBondContact O-N 2.93Å; K119-Y124 HydrophobicContact CB-CD2 3.65Å; K119-Y124 HydrophobicContact CB-CE2 3.73Å; K119-Y124 HydrophobicContact CB-CG 4.37Å; K119-Y124 HydrophobicContact CD-CD1 3.99Å; K119-Y124 HydrophobicContact CD-CD2 3.95Å; K119-Y124 HydrophobicContact CD-CE1 4.23Å; K119-Y124 HydrophobicContact CD-CE2 4.17Å; K119-Y124 HydrophobicContact CD-CG 3.86Å; K119-Y124 HydrophobicContact CG-CD2 3.98Å; K119-Y124 HydrophobicContact CG-CE2 4.39Å; K119-Y124 HydrophobicContact CG-CG 4.22Å; K122-Y124 HydrophobicContact CB-CD2 4.41Å; K122-Y124 HydrophobicContact CB-CE2 4.01Å; K122-Y124 HydrophobicContact CD-CE2 3.86Å; K122-Y124 HydrophobicContact CG-CD2 4.31Å; K122-Y124 HydrophobicContact CG-CE2 3.89Å; Y124-F136 CarbonylContact C-O 3.54Å; Y124-F136 WeakPolarHBondContact CA-O 3.45Å; Y124-F136 VanDerWaalsContact CD1-C 3.48Å; Y124-A137 HydrophobicContact CD1-CB 4.18Å; Y124-A137 HydrophobicContact CE1-CB 3.67Å
125	V	98.1	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.5	174.5	178.8	0	0	0	0	108.9	V89 L95 F114 V127 T135 F136	V89-V125 HydrophobicContact CG1-CG1 4.07Å; V89-V125 HydrophobicContact CG1-CG2 4.22Å; V89-V125 HydrophobicContact CG2-CG1 3.61Å; L95-V125 HydrophobicContact CD1-CG2 4.24Å; F114-V125 HydrophobicContact CD2-CG1 3.7Å; F114-V125 HydrophobicContact CD2-CG2 4.38Å; F114-V125 HydrophobicContact CE2-CG1 4.21Å; F114-V125 HydrophobicContact CE2-CG2 4.15Å; F114-V125 HydrophobicContact CG-CG1 4.27Å; V125-V127 HydrophobicContact CG1-CG1 3.97Å; V125-T135 CarbonylContact O-C 3.59Å; V125-T135 WeakPolarHBondContact O-CA 3.45Å; V125-F136 PolarHBondContact N-O 3.28Å; V125-F136 PolarHBondContact O-N 3.13Å
126	E	98	Very high	94.7	Very high	69 Å²	69	51.7 Å²	51.7	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.4	178	-179.4	-177.2	73.4	0	0	110.3	S115 V117 V133 K134 T135	S115-E126 PolarHBondContact O-N 2.94Å; S115-E126 PolarHBondContact OG-OE1 3.19Å; V117-E126 HydrophobicContact CG1-CB 4.09Å; V117-E126 HydrophobicContact CG2-CB 4.38Å; E126-V133 HydrophobicContact CG-CG1 3.48Å; E126-V133 VanDerWaalsContact CG-CG1 3.48Å; E126-K134 WeakPolarHBondContact CA-O 3.45Å; E126-T135 HydrophobicContact CB-CG2 4.17Å; E126-T135 HydrophobicContact CG-CG2 4.22Å
127	V	97.6	Very high	94.6	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.7	-175.8	-65.2	0	0	0	0	110.8	F65 N87 V89 V125 V129 K134 F136	F65-V127 HydrophobicContact CD2-CB 4.2Å; F65-V127 HydrophobicContact CD2-CG1 4.46Å; F65-V127 HydrophobicContact CD2-CG2 3.59Å; F65-V127 HydrophobicContact CE2-CG2 3.8Å; F65-V127 HydrophobicContact CG-CG2 4.28Å; N87-V127 HydrophobicContact CB-CB 4.41Å; V89-V127 HydrophobicContact CG2-CG1 3.94Å; V125-V127 HydrophobicContact CG1-CG1 3.97Å; V127-V129 HydrophobicContact CG2-CG2 4.28Å; V127-K134 PolarHBondContact N-O 3.41Å; V127-K134 PolarHBondContact O-N 3.14Å; V127-K134 VanDerWaalsContact O-O 3.12Å; V127-F136 HydrophobicContact CG2-CD2 3.71Å; V127-F136 HydrophobicContact CG2-CE2 3.52Å
128	H	96.3	Very high	94.6	Very high	94 Å²	94	49.3 Å²	49.3	44%	0.435	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.5	168.2	-68.7	-96	0	0	0	110.3	F65 N87 E132 V133	F65-H128 WeakPolarHBondContact CB-O 3.49Å; N87-H128 PolarHBondContact OD1-N 3.41Å; H128-E132 CarbonylContact C-O 3.54Å; H128-E132 WeakPolarHBondContact CA-O 3.38Å; H128-V133 VanDerWaalsContact CE1-CG2 3.4Å; H128-V133 WeakPolarHBondContact CE1-CG2 3.14Å
129	V	91	Very high	94.6	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	98.2	168.4	-174.7	0	0	0	0	106.9	F65 V127 S131 E132 K134 F136 F543	F65-V129 HydrophobicContact CB-CG2 4.13Å; F65-V129 HydrophobicContact CD1-CG1 4.29Å; F65-V129 HydrophobicContact CD1-CG2 3.63Å; F65-V129 HydrophobicContact CE1-CG2 4.14Å; F65-V129 HydrophobicContact CG-CG2 3.86Å; V127-V129 HydrophobicContact CG2-CG2 4.28Å; V129-S131 PolarHBondContact O-N 3.1Å; V129-E132 PolarHBondContact N-O 3Å; V129-E132 PolarHBondContact O-N 3.49Å; V129-K134 HydrophobicContact CB-CD 4.12Å; V129-K134 HydrophobicContact CB-CG 4.41Å; V129-K134 HydrophobicContact CG2-CB 4.11Å; V129-K134 HydrophobicContact CG2-CD 3.98Å; V129-K134 HydrophobicContact CG2-CG 4.2Å; V129-F136 HydrophobicContact CG2-CE2 3.96Å; V129-F136 HydrophobicContact CG2-CZ 4.07Å; V129-F543 HydrophobicContact CG1-CE1 4.36Å
130	G	88.6	Confident	94.8	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-125	-168.3	0	0	0	0	0	111.1	T66 P67	T66-G130 PolarHBondContact O-N 2.82Å; P67-G130 VanDerWaalsContact O-CA 3.3Å; P67-G130 WeakPolarHBondContact O-CA 3.47Å
131	S	88.7	Confident	95.2	Very high	121 Å²	121	34.2 Å²	34.2	85%	0.846	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.1	175.3	56	0	0	0	0	114.1	V129	V129-S131 PolarHBondContact O-N 3.1Å
132	E	92.8	Very high	95.5	Very high	113 Å²	113	32.5 Å²	32.5	53%	0.528	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.8	-175.4	-64.8	-175.6	169.8	0	0	111.7	H128 V129 K134	H128-E132 CarbonylContact C-O 3.54Å; H128-E132 WeakPolarHBondContact CA-O 3.38Å; V129-E132 PolarHBondContact N-O 3Å; V129-E132 PolarHBondContact O-N 3.49Å; E132-K134 HydrophobicContact CB-CG 4.49Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 2.89Å
133	V	96.1	Very high	95.8	Very high	80 Å²	80	32 Å²	32	49%	0.485	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.9	167.2	180	0	0	0	0	108.2	E126 H128	E126-V133 HydrophobicContact CG-CG1 3.48Å; E126-V133 VanDerWaalsContact CG-CG1 3.48Å; H128-V133 VanDerWaalsContact CE1-CG2 3.4Å; H128-V133 WeakPolarHBondContact CE1-CG2 3.14Å
134	K	95.6	Very high	95.9	Very high	71 Å²	71	32.8 Å²	32.8	31%	0.309	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152	176.3	-64.7	-167.7	179.5	-176.9	0	110.4	E126 V127 V129 E132 F136	E126-K134 WeakPolarHBondContact CA-O 3.45Å; V127-K134 PolarHBondContact N-O 3.41Å; V127-K134 PolarHBondContact O-N 3.14Å; V127-K134 VanDerWaalsContact O-O 3.12Å; V129-K134 HydrophobicContact CB-CD 4.12Å; V129-K134 HydrophobicContact CB-CG 4.41Å; V129-K134 HydrophobicContact CG2-CB 4.11Å; V129-K134 HydrophobicContact CG2-CD 3.98Å; V129-K134 HydrophobicContact CG2-CG 4.2Å; E132-K134 HydrophobicContact CB-CG 4.49Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 2.89Å; K134-F136 HydrophobicContact CB-CE2 3.85Å; K134-F136 HydrophobicContact CB-CZ 3.97Å; K134-F136 HydrophobicContact CD-CZ 4.24Å
135	T	97	Very high	95.9	Very high	37 Å²	37	32 Å²	32	23%	0.227	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.8	175	60.3	0	0	0	0	109.2	V117 K119 V125 E126	V117-T135 HydrophobicContact CG2-CG2 4.03Å; K119-T135 PolarHBondContact NZ-OG1 3.49Å; V125-T135 CarbonylContact O-C 3.59Å; V125-T135 WeakPolarHBondContact O-CA 3.45Å; E126-T135 HydrophobicContact CB-CG2 4.17Å; E126-T135 HydrophobicContact CG-CG2 4.22Å
136	F	97.1	Very high	95.9	Very high	6 Å²	6	32 Å²	32	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	179.4	-62.7	-77.1	0	0	0	110.5	F65 Y124 V125 V127 V129 K134 E140 I141 M144 F543	F65-F136 HydrophobicContact CE1-CE2 4.01Å; F65-F136 AromaticContact CE1-CZ 3.96Å; F65-F136 HydrophobicContact CE1-CZ 3.96Å; F65-F136 HydrophobicContact CE2-CD2 4.15Å; F65-F136 AromaticContact CE2-CE2 3.87Å; F65-F136 HydrophobicContact CE2-CE2 3.87Å; F65-F136 HydrophobicContact CZ-CD2 4.03Å; F65-F136 AromaticContact CZ-CE2 3.54Å; F65-F136 HydrophobicContact CZ-CE2 3.54Å; F65-F136 AromaticContact CZ-CZ 3.81Å; F65-F136 HydrophobicContact CZ-CZ 3.81Å; Y124-F136 CarbonylContact C-O 3.54Å; Y124-F136 WeakPolarHBondContact CA-O 3.45Å; Y124-F136 VanDerWaalsContact CD1-C 3.48Å; V125-F136 PolarHBondContact N-O 3.28Å; V125-F136 PolarHBondContact O-N 3.13Å; V127-F136 HydrophobicContact CG2-CD2 3.71Å; V127-F136 HydrophobicContact CG2-CE2 3.52Å; V129-F136 HydrophobicContact CG2-CE2 3.96Å; V129-F136 HydrophobicContact CG2-CZ 4.07Å; K134-F136 HydrophobicContact CB-CE2 3.85Å; K134-F136 HydrophobicContact CB-CZ 3.97Å; K134-F136 HydrophobicContact CD-CZ 4.24Å; F136-E140 WeakPolarHBondContact CA-OE2 3.24Å; F136-E140 HydrophobicContact CB-CB 4.28Å; F136-E140 HydrophobicContact CD1-CB 4.3Å; F136-I141 HydrophobicContact CB-CD1 3.62Å; F136-I141 HydrophobicContact CB-CG1 3.92Å; F136-I141 HydrophobicContact CD2-CD1 4.13Å; F136-I141 HydrophobicContact CG-CD1 3.9Å; F136-M144 HydrophobicContact CD1-CE 3.9Å; F136-M144 HydrophobicContact CE1-CE 3.88Å; F136-F543 AromaticContact CE1-CE2 3.96Å; F136-F543 HydrophobicContact CE1-CE2 3.96Å; F136-F543 HydrophobicContact CE1-CZ 4.18Å; F136-F543 HydrophobicContact CZ-CE2 4.24Å; F136-F543 AromaticContact CZ-CZ 3.98Å; F136-F543 HydrophobicContact CZ-CZ 3.98Å
137	A	96.5	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.			trans	-67.7	153.1	167.6	0	0	0	0	0	110	Y124 E139 E140 I141 L528 M536	Y124-A137 HydrophobicContact CD1-CB 4.18Å; Y124-A137 HydrophobicContact CE1-CB 3.67Å; A137-E139 WeakPolarHBondContact CB-OE2 3.46Å; A137-E139 PolarHBondContact O-N 2.64Å; A137-E139 VanDerWaalsContact O-N 3.17Å; A137-E140 HydrophobicContact CB-CG 4.23Å; A137-E140 PolarHBondContact N-OE2 2.58Å; A137-E140 WeakPolarHBondContact O-CB 3.42Å; A137-E140 PolarHBondContact O-N 3.45Å; A137-I141 PolarHBondContact O-N 2.9Å; A137-L528 HydrophobicContact CB-CD2 4.3Å; A137-M536 HydrophobicContact CB-CE 4.1Å
138	P	97.1	Very high	95.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-33.2	174.1	-28.8	36.5	0	0	0	113	V92 L95 I96 P123 S142	V92-P138 HydrophobicContact CG2-CB 3.86Å; L95-P138 HydrophobicContact CB-CB 4.03Å; L95-P138 HydrophobicContact CB-CG 3.64Å; I96-P138 HydrophobicContact CB-CB 4.34Å; P123-P138 HydrophobicContact CG-CG 4.38Å; P123-P138 WeakPolarHBondContact O-CD 3.26Å; P123-P138 WeakPolarHBondContact O-CG 3.5Å; P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.34Å; P138-S142 PolarHBondContact O-N 2.82Å; P138-S142 PolarHBondContact O-OG 2.99Å
139	E	96.6	Very high	96	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-37	175.1	-61.4	88.2	158.8	0	0	112.3	I96 K122 A137 S142 A143 A179 A183 I186 L528	I96-E139 HydrophobicContact CG1-CG 4.21Å; K122-E139 WeakPolarHBondContact CE-OE1 3.36Å; K122-E139 WeakPolarHBondContact CE-OE2 3.36Å; K122-E139 IonicContact NZ-OE1 2.96Å; K122-E139 PolarHBondContact NZ-OE1 3.18Å; K122-E139 IonicContact NZ-OE2 2.68Å; K122-E139 PolarHBondContact NZ-OE2 2.9Å; A137-E139 WeakPolarHBondContact CB-OE2 3.46Å; A137-E139 PolarHBondContact O-N 2.64Å; A137-E139 VanDerWaalsContact O-N 3.17Å; E139-S142 PolarHBondContact O-N 3.48Å; E139-A143 WeakPolarHBondContact O-CB 3.2Å; E139-A143 PolarHBondContact O-N 2.92Å; E139-A179 HydrophobicContact CG-CB 3.79Å; E139-A179 WeakPolarHBondContact CG-O 3.28Å; E139-A179 WeakPolarHBondContact OE1-CB 3.41Å; E139-A183 HydrophobicContact CB-CB 4.2Å; E139-A183 WeakPolarHBondContact O-CB 3.44Å; E139-I186 HydrophobicContact CB-CD1 4.18Å; E139-L528 HydrophobicContact CB-CD1 4.11Å; E139-L528 HydrophobicContact CG-CD1 4.39Å
140	E	96.6	Very high	96.3	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-46.8	176.9	-66.8	176.9	84.7	0	0	110.9	F136 A137 S142 A143 M144 I186 M536	F136-E140 WeakPolarHBondContact CA-OE2 3.24Å; F136-E140 HydrophobicContact CB-CB 4.28Å; F136-E140 HydrophobicContact CD1-CB 4.3Å; A137-E140 HydrophobicContact CB-CG 4.23Å; A137-E140 PolarHBondContact N-OE2 2.58Å; A137-E140 WeakPolarHBondContact O-CB 3.42Å; A137-E140 PolarHBondContact O-N 3.45Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 2.89Å; E140-A143 WeakPolarHBondContact O-CB 3.16Å; E140-A143 PolarHBondContact O-N 2.9Å; E140-M144 VanDerWaalsContact O-CG 3.31Å; E140-M144 WeakPolarHBondContact O-CG 3.41Å; E140-M144 PolarHBondContact O-N 2.91Å; E140-I186 HydrophobicContact CG-CD1 4.45Å; E140-M536 VanDerWaalsContact CD-SD 3.58Å; E140-M536 HydrophobicContact CG-CB 4.19Å; E140-M536 HydrophobicContact CG-CE 3.92Å; E140-M536 HydrophobicContact CG-CG 3.65Å; E140-M536 HydrophobicContact CG-SD 3.36Å; E140-M536 WeakPolarHBondContact CG-SD 3.33Å; E140-M536 VanDerWaalsContact OE2-CE 3.22Å; E140-M536 WeakPolarHBondContact OE2-CE 3.47Å
141	I	98.1	Very high	96.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.8	-56.7	-60.6	0	0	0	110.4	V63 F65 V89 V92 F136 A137 A143 M144 V145	V63-I141 HydrophobicContact CB-CG2 3.93Å; V63-I141 HydrophobicContact CG2-CG2 3.71Å; F65-I141 HydrophobicContact CE2-CD1 4.2Å; F65-I141 HydrophobicContact CZ-CD1 4.28Å; V89-I141 HydrophobicContact CB-CG2 4.33Å; V89-I141 HydrophobicContact CG1-CG1 4.45Å; V89-I141 HydrophobicContact CG1-CG2 3.98Å; V92-I141 HydrophobicContact CB-CB 4.37Å; V92-I141 HydrophobicContact CB-CG2 4.01Å; V92-I141 HydrophobicContact CG1-CB 4.15Å; V92-I141 HydrophobicContact CG1-CG2 3.72Å; V92-I141 HydrophobicContact CG2-CB 3.88Å; V92-I141 HydrophobicContact CG2-CG1 4.32Å; V92-I141 HydrophobicContact CG2-CG2 4.06Å; F136-I141 HydrophobicContact CB-CD1 3.62Å; F136-I141 HydrophobicContact CB-CG1 3.92Å; F136-I141 HydrophobicContact CD2-CD1 4.13Å; F136-I141 HydrophobicContact CG-CD1 3.9Å; A137-I141 PolarHBondContact O-N 2.9Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.05Å; I141-M144 HydrophobicContact CD1-CE 4.34Å; I141-M144 HydrophobicContact CD1-SD 4.28Å; I141-M144 WeakPolarHBondContact O-CB 3.28Å; I141-M144 PolarHBondContact O-N 2.97Å; I141-V145 PolarHBondContact O-N 2.79Å
142	S	98.2	Very high	97.1	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-38.1	175.6	-59.2	0	0	0	0	111.8	P138 E139 E140 M144 V145 L146	P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.34Å; P138-S142 PolarHBondContact O-N 2.82Å; P138-S142 PolarHBondContact O-OG 2.99Å; E139-S142 PolarHBondContact O-N 3.48Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 2.89Å; S142-M144 VanDerWaalsContact C-N 3.29Å; S142-M144 PolarHBondContact O-N 2.84Å; S142-V145 PolarHBondContact O-N 3.48Å; S142-L146 WeakPolarHBondContact O-CG 3.28Å; S142-L146 PolarHBondContact O-N 3.28Å
143	A	97.7	Very high	97.3	Very high	5 Å²	5	19.3 Å²	19.3	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-33.5	175.3	0	0	0	0	0	112.2	E139 E140 I141 L146 G147 A183 I186 A187	E139-A143 WeakPolarHBondContact O-CB 3.2Å; E139-A143 PolarHBondContact O-N 2.92Å; E140-A143 WeakPolarHBondContact O-CB 3.16Å; E140-A143 PolarHBondContact O-N 2.9Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.05Å; A143-L146 PolarHBondContact O-N 2.96Å; A143-G147 PolarHBondContact O-N 3.48Å; A143-A183 HydrophobicContact CB-CB 4.41Å; A143-A183 WeakPolarHBondContact CB-O 3.44Å; A143-I186 HydrophobicContact CB-CB 3.6Å; A143-I186 HydrophobicContact CB-CG2 3.47Å; A143-I186 VanDerWaalsContact CB-CG2 3.47Å; A143-A187 HydrophobicContact CB-CB 4.24Å; A143-A187 WeakPolarHBondContact O-CB 3.42Å
144	M	97.9	Very high	97.4	Very high	15 Å²	15	18 Å²	18	7%	0.074	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-43.5	173.4	-62.9	175.1	-163.9	0	0	110.9	V63 F65 R71 I73 F136 E140 I141 S142 G147 K148	V63-M144 HydrophobicContact CG1-CB 4.47Å; V63-M144 HydrophobicContact CG1-SD 3.62Å; V63-M144 HydrophobicContact CG2-CB 4.03Å; F65-M144 HydrophobicContact CE1-SD 4.41Å; F65-M144 HydrophobicContact CZ-CE 4.04Å; F65-M144 HydrophobicContact CZ-SD 3.89Å; R71-M144 VanDerWaalsContact CD-SD 3.56Å; I73-M144 HydrophobicContact CD1-CB 3.94Å; F136-M144 HydrophobicContact CD1-CE 3.9Å; F136-M144 HydrophobicContact CE1-CE 3.88Å; E140-M144 VanDerWaalsContact O-CG 3.31Å; E140-M144 WeakPolarHBondContact O-CG 3.41Å; E140-M144 PolarHBondContact O-N 2.91Å; I141-M144 HydrophobicContact CD1-CE 4.34Å; I141-M144 HydrophobicContact CD1-SD 4.28Å; I141-M144 WeakPolarHBondContact O-CB 3.28Å; I141-M144 PolarHBondContact O-N 2.97Å; S142-M144 VanDerWaalsContact C-N 3.29Å; S142-M144 PolarHBondContact O-N 2.84Å; M144-G147 PolarHBondContact O-N 3.1Å; M144-K148 PolarHBondContact O-N 2.94Å
145	V	98.4	Very high	97.4	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-46.8	175.4	-179	0	0	0	0	111.1	L32 S37 V63 I73 I141 S142 G147 K148 M149	L32-V145 HydrophobicContact CD1-CB 4.13Å; L32-V145 HydrophobicContact CD1-CG1 3.9Å; S37-V145 WeakPolarHBondContact OG-CG1 3.41Å; V63-V145 HydrophobicContact CG2-CG2 3.83Å; I73-V145 HydrophobicContact CG2-CG2 4.49Å; I141-V145 PolarHBondContact O-N 2.79Å; S142-V145 PolarHBondContact O-N 3.48Å; V145-G147 VanDerWaalsContact C-N 3.32Å; V145-G147 PolarHBondContact O-N 2.88Å; V145-K148 WeakPolarHBondContact O-CB 3.38Å; V145-K148 PolarHBondContact O-N 2.8Å; V145-K148 VanDerWaalsContact O-N 3.13Å; V145-M149 WeakPolarHBondContact O-CG 3.47Å; V145-M149 PolarHBondContact O-N 2.72Å
146	L	98.4	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-41.7	175.5	-70.8	174.6	0	0	0	112.2	I30 L32 S142 A143 K148 M149 K150 V166 A183 A187 L189	I30-L146 HydrophobicContact CB-CD2 4.47Å; I30-L146 HydrophobicContact CD1-CD2 4.01Å; I30-L146 HydrophobicContact CG2-CD2 3.84Å; L32-L146 HydrophobicContact CB-CD2 4.2Å; L32-L146 HydrophobicContact CD1-CD2 4.1Å; L32-L146 HydrophobicContact CD1-CG 4.18Å; L32-L146 HydrophobicContact CD2-CD1 4.28Å; L32-L146 HydrophobicContact CD2-CD2 4.2Å; L32-L146 HydrophobicContact CD2-CG 4.22Å; L32-L146 HydrophobicContact CG-CD2 4.39Å; S142-L146 WeakPolarHBondContact O-CG 3.28Å; S142-L146 PolarHBondContact O-N 3.28Å; A143-L146 PolarHBondContact O-N 2.96Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.16Å; L146-M149 WeakPolarHBondContact O-CB 3.43Å; L146-M149 PolarHBondContact O-N 3.45Å; L146-K150 WeakPolarHBondContact O-CB 3.18Å; L146-K150 PolarHBondContact O-N 3.28Å; L146-V166 HydrophobicContact CD2-CG1 4.5Å; L146-V166 HydrophobicContact CD2-CG2 4.3Å; L146-A183 HydrophobicContact CD1-CB 3.97Å; L146-A187 HydrophobicContact CB-CB 3.76Å; L146-L189 HydrophobicContact CB-CD1 4.43Å
147	G	96.8	Very high	97.3	Very high	25 Å²	25	22.8 Å²	22.8	26%	0.258	12%	0.124	S	C	.	.	H	α-helix	trans	-61.4	-37.6	175.4	0	0	0	0	0	111.9	A143 M144 V145 K150 E151	A143-G147 PolarHBondContact O-N 3.48Å; M144-G147 PolarHBondContact O-N 3.1Å; V145-G147 VanDerWaalsContact C-N 3.32Å; V145-G147 PolarHBondContact O-N 2.88Å; G147-K150 WeakPolarHBondContact O-CB 3.38Å; G147-K150 PolarHBondContact O-N 2.99Å; G147-E151 PolarHBondContact O-N 3.45Å
148	K	97.5	Very high	97.3	Very high	30 Å²	30	25.9 Å²	25.9	13%	0.13	16%	0.156	C	C	.	.	H	α-helix	trans	-69.7	-38.9	174.8	-166.4	61.3	174.5	173	0	112.5	D53 I73 M144 V145 L146 K150 E151 F152	D53-K148 IonicContact OD2-NZ 3.99Å; I73-K148 HydrophobicContact CB-CB 4.33Å; I73-K148 HydrophobicContact CB-CG 4.17Å; I73-K148 HydrophobicContact CD1-CB 4.28Å; I73-K148 HydrophobicContact CG2-CB 3.73Å; I73-K148 HydrophobicContact CG2-CG 3.88Å; M144-K148 PolarHBondContact O-N 2.94Å; V145-K148 WeakPolarHBondContact O-CB 3.38Å; V145-K148 PolarHBondContact O-N 2.8Å; V145-K148 VanDerWaalsContact O-N 3.13Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.16Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.87Å; K148-E151 VanDerWaalsContact CD-OE2 3.22Å; K148-E151 WeakPolarHBondContact CD-OE2 3.19Å; K148-E151 IonicContact NZ-OE1 3.54Å; K148-E151 IonicContact NZ-OE2 3.8Å; K148-E151 PolarHBondContact NZ-OE2 3.27Å; K148-E151 WeakPolarHBondContact O-CB 3.49Å; K148-E151 PolarHBondContact O-N 3.2Å; K148-F152 HydrophobicContact CD-CE1 4.11Å; K148-F152 HydrophobicContact CD-CE2 4.49Å; K148-F152 HydrophobicContact CD-CZ 3.92Å; K148-F152 VanDerWaalsContact CE-CE1 3.45Å; K148-F152 HydrophobicContact CG-CE1 4.26Å; K148-F152 HydrophobicContact CG-CE2 3.77Å; K148-F152 HydrophobicContact CG-CZ 3.62Å; K148-F152 WeakPolarHBondContact O-CD2 3.31Å; K148-F152 WeakPolarHBondContact O-CG 3.45Å; K148-F152 PolarHBondContact O-N 2.93Å
149	M	98.5	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-41.5	172.8	-65.3	-55.6	95	0	0	111.6	I30 V39 T59 V145 L146 F152 A153	I30-M149 HydrophobicContact CD1-CB 4.09Å; I30-M149 HydrophobicContact CG1-CB 4.36Å; I30-M149 HydrophobicContact CG2-CB 4.25Å; I30-M149 HydrophobicContact CG2-CG 3.95Å; V39-M149 HydrophobicContact CB-CB 4.09Å; V39-M149 HydrophobicContact CB-CG 4.48Å; V39-M149 HydrophobicContact CB-SD 4.17Å; V39-M149 HydrophobicContact CG1-CB 4.27Å; V39-M149 HydrophobicContact CG1-SD 3.91Å; T59-M149 HydrophobicContact CG2-CE 3.83Å; V145-M149 WeakPolarHBondContact O-CG 3.47Å; V145-M149 PolarHBondContact O-N 2.72Å; L146-M149 WeakPolarHBondContact O-CB 3.43Å; L146-M149 PolarHBondContact O-N 3.45Å; M149-F152 HydrophobicContact CE-CD2 3.61Å; M149-F152 HydrophobicContact CE-CE2 3.49Å; M149-F152 VanDerWaalsContact CE-CE2 3.49Å; M149-F152 PolarHBondContact O-N 2.84Å; M149-F152 HydrophobicContact SD-CD2 4.44Å; M149-A153 PolarHBondContact O-N 3.48Å
150	K	97.8	Very high	97.1	Very high	27 Å²	27	37.6 Å²	37.6	12%	0.117	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-46.5	172	170.3	-177.9	168.3	176.1	0	111.6	L146 G147 K148 F152 A153 E154 V161 A187 G188 L189	L146-K150 WeakPolarHBondContact O-CB 3.18Å; L146-K150 PolarHBondContact O-N 3.28Å; G147-K150 WeakPolarHBondContact O-CB 3.38Å; G147-K150 PolarHBondContact O-N 2.99Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.87Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 2.91Å; K150-A153 PolarHBondContact O-N 3.02Å; K150-A153 VanDerWaalsContact O-N 3.13Å; K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.2Å; K150-E154 WeakPolarHBondContact O-CG 3.32Å; K150-E154 PolarHBondContact O-N 2.88Å; K150-V161 WeakPolarHBondContact CE-O 3.45Å; K150-V161 HydrophobicContact CG-CB 4.46Å; K150-A187 PolarHBondContact NZ-O 2.81Å; K150-G188 PolarHBondContact NZ-O 3.32Å; K150-L189 HydrophobicContact CB-CD1 4.36Å; K150-L189 HydrophobicContact CB-CD2 4.32Å; K150-L189 HydrophobicContact CD-CD2 3.82Å; K150-L189 HydrophobicContact CD-CG 4.05Å; K150-L189 HydrophobicContact CG-CD2 4.21Å
151	E	96.3	Very high	97.1	Very high	69 Å²	69	37 Å²	37	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-57.3	-45.1	177.5	-171.7	-167.6	168.7	0	0	111.5	G147 K148 A153 E154 A155 K551	G147-E151 PolarHBondContact O-N 3.45Å; K148-E151 VanDerWaalsContact CD-OE2 3.22Å; K148-E151 WeakPolarHBondContact CD-OE2 3.19Å; K148-E151 IonicContact NZ-OE1 3.54Å; K148-E151 IonicContact NZ-OE2 3.8Å; K148-E151 PolarHBondContact NZ-OE2 3.27Å; K148-E151 WeakPolarHBondContact O-CB 3.49Å; K148-E151 PolarHBondContact O-N 3.2Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 2.93Å; E151-E154 PolarHBondContact O-N 2.87Å; E151-A155 WeakPolarHBondContact O-CB 3.41Å; E151-A155 PolarHBondContact O-N 2.63Å; E151-K551 IonicContact OE1-NZ 3.59Å
152	F	97.9	Very high	97	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.4	-60.7	-34.3	0	0	0	112	I50 N52 D53 T59 K148 M149 K150 Y156	I50-F152 HydrophobicContact CG2-CB 4.23Å; N52-F152 HydrophobicContact CB-CD1 4.5Å; N52-F152 HydrophobicContact CB-CD2 3.91Å; N52-F152 HydrophobicContact CB-CE1 4.07Å; N52-F152 HydrophobicContact CB-CE2 3.41Å; N52-F152 VanDerWaalsContact CB-CE2 3.41Å; N52-F152 HydrophobicContact CB-CG 4.43Å; N52-F152 HydrophobicContact CB-CZ 3.51Å; D53-F152 HydrophobicContact CB-CE1 4.06Å; T59-F152 HydrophobicContact CG2-CE2 4.16Å; K148-F152 HydrophobicContact CD-CE1 4.11Å; K148-F152 HydrophobicContact CD-CE2 4.49Å; K148-F152 HydrophobicContact CD-CZ 3.92Å; K148-F152 VanDerWaalsContact CE-CE1 3.45Å; K148-F152 HydrophobicContact CG-CE1 4.26Å; K148-F152 HydrophobicContact CG-CE2 3.77Å; K148-F152 HydrophobicContact CG-CZ 3.62Å; K148-F152 WeakPolarHBondContact O-CD2 3.31Å; K148-F152 WeakPolarHBondContact O-CG 3.45Å; K148-F152 PolarHBondContact O-N 2.93Å; M149-F152 HydrophobicContact CE-CD2 3.61Å; M149-F152 HydrophobicContact CE-CE2 3.49Å; M149-F152 VanDerWaalsContact CE-CE2 3.49Å; M149-F152 PolarHBondContact O-N 2.84Å; M149-F152 HydrophobicContact SD-CD2 4.44Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 2.91Å; F152-Y156 WeakPolarHBondContact O-CB 3.27Å; F152-Y156 PolarHBondContact O-N 3.41Å
153	A	98	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-43	176.2	0	0	0	0	0	112.8	I28 V39 I50 M149 K150 E151 Y156 L157 V161	I28-A153 HydrophobicContact CD1-CB 4.04Å; I28-A153 HydrophobicContact CG2-CB 3.9Å; V39-A153 HydrophobicContact CG2-CB 4.29Å; I50-A153 HydrophobicContact CD1-CB 3.78Å; M149-A153 PolarHBondContact O-N 3.48Å; K150-A153 PolarHBondContact O-N 3.02Å; K150-A153 VanDerWaalsContact O-N 3.13Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 2.93Å; A153-Y156 PolarHBondContact O-N 2.76Å; A153-L157 VanDerWaalsContact O-CB 3.25Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.12Å; A153-L157 PolarHBondContact O-N 2.85Å; A153-V161 HydrophobicContact CB-CG2 4.28Å
154	E	97.1	Very high	97	Very high	52 Å²	52	40.7 Å²	40.7	24%	0.243	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-42.4	177.4	-70.7	-178.6	154	0	0	111.6	K150 E151 L157 G158 K159 K160 V161	K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.2Å; K150-E154 WeakPolarHBondContact O-CG 3.32Å; K150-E154 PolarHBondContact O-N 2.88Å; E151-E154 PolarHBondContact O-N 2.87Å; E154-L157 PolarHBondContact O-N 2.82Å; E154-G158 PolarHBondContact O-N 3.43Å; E154-K159 WeakPolarHBondContact CA-O 3.36Å; E154-K159 WeakPolarHBondContact CG-O 3.04Å; E154-K159 PolarHBondContact O-N 2.79Å; E154-K160 WeakPolarHBondContact OE1-CA 3.36Å; E154-K160 WeakPolarHBondContact OE1-CG 3.4Å; E154-V161 HydrophobicContact CG-CB 3.86Å; E154-V161 HydrophobicContact CG-CG2 3.79Å; E154-V161 PolarHBondContact OE1-N 2.86Å
155	A	96.3	Very high	97	Very high	82 Å²	82	40 Å²	40	68%	0.678	22%	0.22	S	C	*	.	H	α-helix	trans	-63.7	-39.7	176.2	0	0	0	0	0	112.4	E151	E151-A155 WeakPolarHBondContact O-CB 3.41Å; E151-A155 PolarHBondContact O-N 2.63Å
156	Y	96.7	Very high	97	Very high	115 Å²	115	39.8 Å²	39.8	45%	0.451	22%	0.22	S	C	.	.	H	α-helix	trans	-70.3	-40.2	176.4	175.6	-99.7	0	0	0	112.8	V41 I50 F152 A153	V41-Y156 HydrophobicContact CG1-CE1 4.23Å; I50-Y156 HydrophobicContact CD1-CD1 3.9Å; I50-Y156 HydrophobicContact CD1-CG 4.33Å; I50-Y156 HydrophobicContact CG1-CD1 4.03Å; I50-Y156 HydrophobicContact CG1-CG 4.27Å; I50-Y156 HydrophobicContact CG2-CG 4.11Å; F152-Y156 WeakPolarHBondContact O-CB 3.27Å; F152-Y156 PolarHBondContact O-N 3.41Å; A153-Y156 PolarHBondContact O-N 2.76Å
157	L	95.8	Very high	97	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-86.8	-12.5	-174.3	-67.7	168.2	0	0	0	114.2	T26 V41 A153 E154 K159 V161	T26-L157 HydrophobicContact CG2-CD1 3.66Å; V41-L157 HydrophobicContact CG1-CD2 4.31Å; V41-L157 HydrophobicContact CG2-CD2 4.47Å; A153-L157 VanDerWaalsContact O-CB 3.25Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.12Å; A153-L157 PolarHBondContact O-N 2.85Å; E154-L157 PolarHBondContact O-N 2.82Å; L157-K159 HydrophobicContact CB-CG 4.03Å; L157-K159 PolarHBondContact O-N 3.05Å; L157-V161 HydrophobicContact CD1-CG2 3.69Å
158	G	95.4	Very high	96.9	Very high	65 Å²	65	38.6 Å²	38.6	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	9.1	-175.9	0	0	0	0	0	114.6	E154	E154-G158 PolarHBondContact O-N 3.43Å
159	K	95.2	Very high	96.7	Very high	91 Å²	91	37.2 Å²	37.2	40%	0.396	20%	0.201	S	C	.	.	S	Bend	trans	-147.8	160.8	-173.5	69.8	-171.7	-178.6	179.9	0	112.7	T26 E154 L157	T26-K159 WeakPolarHBondContact OG1-CE 3.49Å; T26-K159 PolarHBondContact OG1-NZ 2.6Å; E154-K159 WeakPolarHBondContact CA-O 3.36Å; E154-K159 WeakPolarHBondContact CG-O 3.04Å; E154-K159 PolarHBondContact O-N 2.79Å; L157-K159 HydrophobicContact CB-CG 4.03Å; L157-K159 PolarHBondContact O-N 3.05Å
160	K	94.4	Very high	96.2	Very high	160 Å²	160	37.2 Å²	37.2	70%	0.696	20%	0.201	S	C	*	.			trans	-65.1	137.8	178.7	-168.8	177.6	-177.8	177.1	0	111.7	E154 T162	E154-K160 WeakPolarHBondContact OE1-CA 3.36Å; E154-K160 WeakPolarHBondContact OE1-CG 3.4Å; K160-T162 HydrophobicContact CD-CG2 4.3Å; K160-T162 HydrophobicContact CG-CG2 4.28Å
161	V	96.3	Very high	95.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.204	C	C	.	.			trans	-113.6	123.6	176.6	177	0	0	0	0	109.4	I28 K150 A153 E154 L157 L189	I28-V161 HydrophobicContact CB-CG1 4.46Å; I28-V161 HydrophobicContact CD1-CG1 3.8Å; I28-V161 HydrophobicContact CG1-CG1 3.82Å; I28-V161 HydrophobicContact CG2-CG1 3.87Å; I28-V161 HydrophobicContact CG2-CG2 4.42Å; K150-V161 WeakPolarHBondContact CE-O 3.45Å; K150-V161 HydrophobicContact CG-CB 4.46Å; A153-V161 HydrophobicContact CB-CG2 4.28Å; E154-V161 HydrophobicContact CG-CB 3.86Å; E154-V161 HydrophobicContact CG-CG2 3.79Å; E154-V161 PolarHBondContact OE1-N 2.86Å; L157-V161 HydrophobicContact CD1-CG2 3.69Å; V161-L189 HydrophobicContact CG1-CD2 4.32Å
162	T	96.2	Very high	94.9	Very high	56 Å²	56	35 Å²	35	34%	0.344	19%	0.19	S	C	.	.			trans	-118.4	-12.5	-176.4	55	0	0	0	0	114	K160 N190	K160-T162 HydrophobicContact CD-CG2 4.3Å; K160-T162 HydrophobicContact CG-CG2 4.28Å; T162-N190 PolarHBondContact O-N 3.33Å
163	H	97.9	Very high	94	Very high	30 Å²	30	35 Å²	35	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.5	-173.3	-63.9	100.2	0	0	0	111.2	Y24 V27 I28 N190 L192	Y24-H163 AromaticContact CD1-NE2 3.99Å; Y24-H163 PolarHBondContact O-CE1 3.49Å; Y24-H163 PolarHBondContact O-ND1 2.94Å; V27-H163 HydrophobicContact CB-CB 4.48Å; V27-H163 HydrophobicContact CG1-CB 4.4Å; V27-H163 HydrophobicContact CG2-CB 4Å; I28-H163 PolarHBondContact N-O 2.82Å; H163-N190 WeakPolarHBondContact CA-O 3.41Å; H163-N190 PolarHBondContact CD2-ND2 3.03Å; H163-N190 PolarHBondContact NE2-ND2 3.47Å; H163-L192 HydrophobicContact CB-CD1 3.89Å; H163-L192 HydrophobicContact CB-CG 4.2Å
164	A	98.4	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.4	177.9	0	0	0	0	0	113	I28 I30 V166 L189 N190 I191 L192	I28-A164 HydrophobicContact CG1-CB 3.88Å; I28-A164 CarbonylContact O-C 3.57Å; I28-A164 VanDerWaalsContact O-CA 3.22Å; I28-A164 WeakPolarHBondContact O-CA 3.36Å; I30-A164 HydrophobicContact CD1-CB 4.16Å; A164-V166 HydrophobicContact CB-CG2 4.34Å; A164-L189 HydrophobicContact CB-CD1 4.16Å; A164-L189 HydrophobicContact CB-CD2 4.26Å; A164-N190 PolarHBondContact N-O 3.08Å; A164-N190 VanDerWaalsContact N-O 3.08Å; A164-I191 HydrophobicContact CB-CD1 4.03Å; A164-I191 WeakPolarHBondContact O-CA 3.25Å; A164-L192 PolarHBondContact O-N 2.96Å
165	V	98.1	Very high	92.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.5	158.1	175.9	0	0	0	0	106.9	V27 I28 G29 I30 R193 I195 A393 Q396 I400	V27-V165 HydrophobicContact CG1-CG2 4.04Å; I28-V165 PolarHBondContact O-N 3.16Å; G29-V165 CarbonylContact C-O 3.57Å; G29-V165 WeakPolarHBondContact CA-O 3.47Å; I30-V165 PolarHBondContact N-O 3.32Å; V165-R193 WeakPolarHBondContact CA-O 3.27Å; V165-R193 HydrophobicContact CG1-CB 4.36Å; V165-R193 HydrophobicContact CG2-CB 4.2Å; V165-I195 HydrophobicContact CG1-CB 4.39Å; V165-I195 HydrophobicContact CG1-CG2 3.79Å; V165-A393 HydrophobicContact CG1-CB 4.3Å; V165-Q396 HydrophobicContact CG1-CB 4.33Å; V165-Q396 HydrophobicContact CG1-CG 4.24Å; V165-Q396 HydrophobicContact CG2-CG 4.44Å; V165-I400 HydrophobicContact CG2-CD1 3.97Å
166	V	98.3	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138	-178.2	178.5	0	0	0	0	109.4	I30 L32 L146 A164 T180 I191 R193 I194 I195	I30-V166 HydrophobicContact CB-CG2 4.35Å; I30-V166 WeakPolarHBondContact O-CA 3.47Å; L32-V166 HydrophobicContact CB-CG1 4.13Å; L146-V166 HydrophobicContact CD2-CG1 4.5Å; L146-V166 HydrophobicContact CD2-CG2 4.3Å; A164-V166 HydrophobicContact CB-CG2 4.34Å; V166-T180 HydrophobicContact CB-CG2 4.48Å; V166-T180 HydrophobicContact CG1-CG2 3.65Å; V166-I191 HydrophobicContact CB-CG2 4.37Å; V166-I191 HydrophobicContact CG2-CD1 3.59Å; V166-I191 HydrophobicContact CG2-CG1 4.41Å; V166-I191 HydrophobicContact CG2-CG2 4.32Å; V166-R193 PolarHBondContact N-O 3.1Å; V166-R193 VanDerWaalsContact N-O 3.15Å; V166-I194 WeakPolarHBondContact O-CA 3.03Å; V166-I195 PolarHBondContact O-N 3.31Å; V166-I195 VanDerWaalsContact O-N 3.11Å
167	T	97.3	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	151.8	177.8	66.3	0	0	0	0	112.4	I30 D31 I195 A200 V389 A393	I30-T167 PolarHBondContact O-N 2.94Å; D31-T167 VanDerWaalsContact CA-OG1 3.32Å; D31-T167 WeakPolarHBondContact CA-OG1 3.46Å; D31-T167 PolarHBondContact OD1-OG1 2.88Å; D31-T167 VanDerWaalsContact OD1-OG1 3.05Å; T167-I195 CarbonylContact C-O 3.52Å; T167-I195 VanDerWaalsContact CA-O 3.23Å; T167-I195 WeakPolarHBondContact CA-O 3.33Å; T167-I195 HydrophobicContact CG2-CG2 3.64Å; T167-A200 HydrophobicContact CG2-CB 4.08Å; T167-V389 HydrophobicContact CG2-CG1 3.39Å; T167-V389 WeakPolarHBondContact OG1-CG1 3.39Å; T167-A393 HydrophobicContact CG2-CB 3.65Å
168	V	95.1	Very high	91.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.7	171.1	-64.3	0	0	0	0	110.5	F172 R177 T180 I194 I195 N196 E197	V168-F172 HydrophobicContact CB-CB 4.36Å; V168-F172 HydrophobicContact CB-CD2 3.75Å; V168-F172 HydrophobicContact CB-CE2 4.39Å; V168-F172 HydrophobicContact CB-CG 4.22Å; V168-F172 HydrophobicContact CG1-CD2 3.95Å; V168-F172 HydrophobicContact CG1-CE2 4.36Å; V168-F172 HydrophobicContact CG2-CB 4.44Å; V168-R177 HydrophobicContact CG2-CG 4.27Å; V168-T180 HydrophobicContact CG1-CG2 3.93Å; V168-I194 HydrophobicContact CB-CG2 4.21Å; V168-I194 HydrophobicContact CG1-CG2 3.78Å; V168-I194 HydrophobicContact CG2-CG2 3.38Å; V168-I195 PolarHBondContact N-O 3.42Å; V168-N196 CarbonylContact O-C 3.59Å; V168-N196 WeakPolarHBondContact O-CA 3.49Å; V168-E197 VanDerWaalsContact C-CD 3.48Å; V168-E197 VanDerWaalsContact C-CG 3.49Å; V168-E197 VanDerWaalsContact C-OE1 3.32Å; V168-E197 WeakPolarHBondContact O-CG 3.42Å; V168-E197 PolarHBondContact O-N 3.43Å
169	P	92.8	Very high	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.			trans	-54.8	143.7	171.8	-27.6	38.5	0	0	0	110.6	Y171 F172 E197 T225 D227	P169-Y171 PolarHBondContact O-N 2.92Å; P169-F172 HydrophobicContact CB-CD1 3.67Å; P169-F172 HydrophobicContact CB-CE1 3.99Å; P169-F172 HydrophobicContact CB-CG 4.31Å; P169-F172 HydrophobicContact CG-CD1 3.65Å; P169-F172 HydrophobicContact CG-CE1 3.47Å; P169-F172 VanDerWaalsContact CG-CE1 3.47Å; P169-F172 HydrophobicContact CG-CG 4.31Å; P169-F172 HydrophobicContact CG-CZ 3.98Å; P169-F172 WeakPolarHBondContact O-CB 3.24Å; P169-F172 PolarHBondContact O-N 3.35Å; P169-E197 WeakPolarHBondContact CD-OE1 3.48Å; P169-T225 HydrophobicContact CB-CG2 4.26Å; P169-T225 HydrophobicContact CG-CG2 3.83Å; P169-D227 WeakPolarHBondContact CB-OD2 3.43Å
170	A	88.1	Confident	91.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.6	-177.5	0	0	0	0	0	111.4	F172 R177 N196 P198 D227 T243 P416	A170-F172 PolarHBondContact O-N 2.9Å; A170-R177 PolarHBondContact O-NH2 2.94Å; A170-R177 VanDerWaalsContact O-NH2 3.14Å; A170-N196 HydrophobicContact CB-CB 4.29Å; A170-P198 HydrophobicContact CB-CG 3.78Å; A170-D227 HydrophobicContact CB-CB 4.48Å; A170-D227 PolarHBondContact N-OD1 2.93Å; A170-T243 WeakPolarHBondContact CB-OG1 3.38Å; A170-P416 WeakPolarHBondContact O-CG 3.48Å
171	Y	81.7	Confident	91.4	Very high	45 Å²	45	12.9 Å²	12.9	18%	0.176	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.5	178.1	-120.8	-118.2	0	0	0	115.7	P169 N173 D227 P416 L417	P169-Y171 PolarHBondContact O-N 2.92Å; Y171-N173 PolarHBondContact O-N 3.29Å; Y171-D227 PolarHBondContact N-OD1 3.1Å; Y171-D227 VanDerWaalsContact N-OD1 3.17Å; Y171-P416 HydrophobicContact CD2-CB 3.64Å; Y171-P416 HydrophobicContact CE2-CB 3.79Å; Y171-L417 HydrophobicContact CE1-CD1 4.09Å; Y171-L417 HydrophobicContact CE1-CD2 4.2Å; Y171-L417 HydrophobicContact CE1-CG 4.18Å; Y171-L417 HydrophobicContact CE2-CG 4.38Å; Y171-L417 WeakPolarHBondContact OH-CD2 3.28Å
172	F	85.7	Confident	91.2	Very high	5 Å²	5	13 Å²	13	2%	0.022	7%	0.066	C	C	.	.			trans	-65.6	129.8	170.4	-93.3	25.6	0	0	0	111.2	K93 I96 V168 P169 A170 Q176 R177	K93-F172 HydrophobicContact CG-CZ 4.08Å; I96-F172 HydrophobicContact CG2-CE2 3.89Å; I96-F172 HydrophobicContact CG2-CZ 4.01Å; V168-F172 HydrophobicContact CB-CB 4.36Å; V168-F172 HydrophobicContact CB-CD2 3.75Å; V168-F172 HydrophobicContact CB-CE2 4.39Å; V168-F172 HydrophobicContact CB-CG 4.22Å; V168-F172 HydrophobicContact CG1-CD2 3.95Å; V168-F172 HydrophobicContact CG1-CE2 4.36Å; V168-F172 HydrophobicContact CG2-CB 4.44Å; P169-F172 HydrophobicContact CB-CD1 3.67Å; P169-F172 HydrophobicContact CB-CE1 3.99Å; P169-F172 HydrophobicContact CB-CG 4.31Å; P169-F172 HydrophobicContact CG-CD1 3.65Å; P169-F172 HydrophobicContact CG-CE1 3.47Å; P169-F172 VanDerWaalsContact CG-CE1 3.47Å; P169-F172 HydrophobicContact CG-CG 4.31Å; P169-F172 HydrophobicContact CG-CZ 3.98Å; P169-F172 WeakPolarHBondContact O-CB 3.24Å; P169-F172 PolarHBondContact O-N 3.35Å; A170-F172 PolarHBondContact O-N 2.9Å; F172-Q176 HydrophobicContact CB-CB 4.11Å; F172-Q176 HydrophobicContact CD1-CB 4.37Å; F172-Q176 HydrophobicContact CD2-CB 3.38Å; F172-Q176 HydrophobicContact CD2-CG 4.45Å; F172-Q176 VanDerWaalsContact CE1-NE2 3.31Å; F172-Q176 HydrophobicContact CE2-CB 3.77Å; F172-Q176 HydrophobicContact CG-CB 3.72Å; F172-Q176 HydrophobicContact CG-CG 4.48Å; F172-Q176 HydrophobicContact CZ-CB 4.39Å; F172-R177 HydrophobicContact CB-CG 4.18Å; F172-R177 PolarHBondContact O-NE 3.35Å; F172-R177 PolarHBondContact O-NH2 3.27Å
173	N	79.5	Confident	91.2	Very high	14 Å²	14	10.4 Å²	10.4	8%	0.075	5%	0.05	C	C	.	.			trans	-79.3	176.7	172.4	72.4	24.5	0	0	0	111.7	Y171 A175 Q176 R177 E462	Y171-N173 PolarHBondContact O-N 3.29Å; N173-A175 VanDerWaalsContact C-N 3.31Å; N173-A175 PolarHBondContact O-N 2.76Å; N173-A175 WeakPolarHBondContact OD1-CB 3.48Å; N173-A175 PolarHBondContact OD1-N 3.5Å; N173-A175 VanDerWaalsContact OD1-N 3.08Å; N173-Q176 PolarHBondContact O-N 2.82Å; N173-Q176 WeakPolarHBondContact OD1-CG 3.26Å; N173-Q176 PolarHBondContact OD1-N 3.1Å; N173-Q176 VanDerWaalsContact OD1-N 3.15Å; N173-R177 WeakPolarHBondContact O-CG 3.33Å; N173-R177 PolarHBondContact O-N 3.07Å; N173-E462 WeakPolarHBondContact CB-OE1 3.38Å; N173-E462 WeakPolarHBondContact CB-OE2 3.19Å; N173-E462 PolarHBondContact ND2-OE1 3.13Å
174	D	80.9	Confident	91.2	Very high	8 Å²	8	9 Å²	9	4%	0.043	4%	0.043	C	C	.	.	H	α-helix	trans	-55.3	-42.4	-178.9	176.5	86	0	0	0	113.3	Q176 R177 Q178 I503 L504 I521 N522	D174-Q176 VanDerWaalsContact C-N 3.34Å; D174-Q176 PolarHBondContact O-N 3.21Å; D174-R177 PolarHBondContact O-N 3.3Å; D174-Q178 WeakPolarHBondContact O-CB 3.48Å; D174-Q178 PolarHBondContact O-N 3.11Å; D174-I503 WeakPolarHBondContact OD1-CA 3.26Å; D174-I503 VanDerWaalsContact OD1-CG2 3.3Å; D174-I503 WeakPolarHBondContact OD1-CG2 3.44Å; D174-L504 HydrophobicContact CB-CB 4.47Å; D174-L504 PolarHBondContact OD1-N 3.22Å; D174-I521 VanDerWaalsContact OD2-O 3.07Å; D174-N522 PolarHBondContact OD2-ND2 2.95Å
175	A	84.4	Confident	91	Very high	19 Å²	19	11.8 Å²	11.8	16%	0.157	6%	0.061	C	C	.	.	H	α-helix	trans	-62.8	-43.5	-178.5	0	0	0	0	0	111.2	N173 A179 N522	N173-A175 VanDerWaalsContact C-N 3.31Å; N173-A175 PolarHBondContact O-N 2.76Å; N173-A175 WeakPolarHBondContact OD1-CB 3.48Å; N173-A175 PolarHBondContact OD1-N 3.5Å; N173-A175 VanDerWaalsContact OD1-N 3.08Å; A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.19Å; A175-A179 PolarHBondContact O-N 2.83Å; A175-N522 WeakPolarHBondContact CA-ND2 3.13Å; A175-N522 WeakPolarHBondContact CB-ND2 3.41Å; A175-N522 PolarHBondContact N-ND2 3.02Å
176	Q	90	Very high	90.8	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-68.8	-42.7	179.7	-57	-178.7	-83.8	0	0	111.3	I96 F172 N173 D174 Q178 A179 T180	I96-Q176 WeakPolarHBondContact O-CG 3.41Å; F172-Q176 HydrophobicContact CB-CB 4.11Å; F172-Q176 HydrophobicContact CD1-CB 4.37Å; F172-Q176 HydrophobicContact CD2-CB 3.38Å; F172-Q176 HydrophobicContact CD2-CG 4.45Å; F172-Q176 VanDerWaalsContact CE1-NE2 3.31Å; F172-Q176 HydrophobicContact CE2-CB 3.77Å; F172-Q176 HydrophobicContact CG-CB 3.72Å; F172-Q176 HydrophobicContact CG-CG 4.48Å; F172-Q176 HydrophobicContact CZ-CB 4.39Å; N173-Q176 PolarHBondContact O-N 2.82Å; N173-Q176 WeakPolarHBondContact OD1-CG 3.26Å; N173-Q176 PolarHBondContact OD1-N 3.1Å; N173-Q176 VanDerWaalsContact OD1-N 3.15Å; D174-Q176 VanDerWaalsContact C-N 3.34Å; D174-Q176 PolarHBondContact O-N 3.21Å; Q176-Q178 PolarHBondContact O-N 3.23Å; Q176-A179 PolarHBondContact O-N 3.28Å; Q176-T180 PolarHBondContact O-N 3.16Å; Q176-T180 PolarHBondContact O-OG1 3.36Å; Q176-T180 VanDerWaalsContact O-OG1 3.08Å
177	R	90.9	Very high	90.7	Very high	10 Å²	10	12.9 Å²	12.9	4%	0.038	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-45.9	175.1	-70.1	171.5	-177.1	-83.6	-8.8	111.6	V168 A170 F172 N173 D174 T180 K181 I194 N196 N501	V168-R177 HydrophobicContact CG2-CG 4.27Å; A170-R177 PolarHBondContact O-NH2 2.94Å; A170-R177 VanDerWaalsContact O-NH2 3.14Å; F172-R177 HydrophobicContact CB-CG 4.18Å; F172-R177 PolarHBondContact O-NE 3.35Å; F172-R177 PolarHBondContact O-NH2 3.27Å; N173-R177 WeakPolarHBondContact O-CG 3.33Å; N173-R177 PolarHBondContact O-N 3.07Å; D174-R177 PolarHBondContact O-N 3.3Å; R177-T180 WeakPolarHBondContact O-CB 3.26Å; R177-T180 PolarHBondContact O-N 2.83Å; R177-K181 PolarHBondContact O-N 2.89Å; R177-I194 HydrophobicContact CB-CD1 4.17Å; R177-I194 WeakPolarHBondContact O-CD1 3.19Å; R177-N196 VanDerWaalsContact CZ-OD1 3.3Å; R177-N196 PolarHBondContact NH1-OD1 3.31Å; R177-N196 PolarHBondContact NH2-OD1 2.86Å; R177-N501 PolarHBondContact NH1-O 2.74Å
178	Q	88.3	Confident	90.5	Very high	14 Å²	14	14.9 Å²	14.9	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-40.7	178.3	-173.9	57.2	73.6	0	0	111.7	D174 Q176 T180 K181 D182 R527	D174-Q178 WeakPolarHBondContact O-CB 3.48Å; D174-Q178 PolarHBondContact O-N 3.11Å; Q176-Q178 PolarHBondContact O-N 3.23Å; Q178-T180 VanDerWaalsContact C-N 3.31Å; Q178-T180 PolarHBondContact O-N 3.45Å; Q178-K181 WeakPolarHBondContact O-CB 3.49Å; Q178-K181 PolarHBondContact O-N 3.45Å; Q178-K181 VanDerWaalsContact O-N 3.1Å; Q178-D182 PolarHBondContact NE2-OD1 3.1Å; Q178-D182 VanDerWaalsContact O-CG 3.22Å; Q178-D182 PolarHBondContact O-N 3.02Å; Q178-R527 VanDerWaalsContact CD-NH2 3.26Å
179	A	92.1	Very high	90.6	Very high	3 Å²	3	15 Å²	15	3%	0.025	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-36.4	174.9	0	0	0	0	0	112.3	I96 E139 A175 Q176 D182 A183	I96-A179 HydrophobicContact CD1-CB 4.26Å; I96-A179 HydrophobicContact CG1-CB 3.63Å; E139-A179 HydrophobicContact CG-CB 3.79Å; E139-A179 WeakPolarHBondContact CG-O 3.28Å; E139-A179 WeakPolarHBondContact OE1-CB 3.41Å; A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.19Å; A175-A179 PolarHBondContact O-N 2.83Å; Q176-A179 PolarHBondContact O-N 3.28Å; A179-D182 PolarHBondContact O-N 2.59Å; A179-A183 WeakPolarHBondContact O-CB 3.33Å; A179-A183 PolarHBondContact O-N 2.84Å
180	T	94.4	Very high	90.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-39.7	170.7	-59	0	0	0	0	112	L32 V166 V168 Q176 R177 Q178 A183 G184	L32-T180 HydrophobicContact CD2-CG2 4.34Å; V166-T180 HydrophobicContact CB-CG2 4.48Å; V166-T180 HydrophobicContact CG1-CG2 3.65Å; V168-T180 HydrophobicContact CG1-CG2 3.93Å; Q176-T180 PolarHBondContact O-N 3.16Å; Q176-T180 PolarHBondContact O-OG1 3.36Å; Q176-T180 VanDerWaalsContact O-OG1 3.08Å; R177-T180 WeakPolarHBondContact O-CB 3.26Å; R177-T180 PolarHBondContact O-N 2.83Å; Q178-T180 VanDerWaalsContact C-N 3.31Å; Q178-T180 PolarHBondContact O-N 3.45Å; T180-A183 PolarHBondContact O-N 3.16Å; T180-G184 PolarHBondContact O-N 2.88Å
181	K	93	Very high	91.2	Very high	60 Å²	60	19 Å²	19	26%	0.261	11%	0.111	S	C	.	.	H	α-helix	trans	-65.2	-40.9	174.4	-169.3	169.5	-174.4	173.4	0	112.3	R177 Q178 A183 G184 T185 I191 I194	R177-K181 PolarHBondContact O-N 2.89Å; Q178-K181 WeakPolarHBondContact O-CB 3.49Å; Q178-K181 PolarHBondContact O-N 3.45Å; Q178-K181 VanDerWaalsContact O-N 3.1Å; K181-A183 VanDerWaalsContact C-N 3.35Å; K181-G184 PolarHBondContact O-N 2.82Å; K181-T185 PolarHBondContact O-N 2.76Å; K181-T185 PolarHBondContact O-OG1 2.81Å; K181-I191 HydrophobicContact CG-CB 4.29Å; K181-I194 HydrophobicContact CB-CD1 4.23Å
182	D	92.8	Very high	91.8	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-41.5	177.3	-64.9	-8.9	0	0	0	109.8	Q178 A179 G184 T185 I186 R527 I533	Q178-D182 PolarHBondContact NE2-OD1 3.1Å; Q178-D182 VanDerWaalsContact O-CG 3.22Å; Q178-D182 PolarHBondContact O-N 3.02Å; A179-D182 PolarHBondContact O-N 2.59Å; D182-G184 VanDerWaalsContact C-N 3.35Å; D182-G184 PolarHBondContact O-N 2.8Å; D182-T185 WeakPolarHBondContact O-CB 3.21Å; D182-T185 PolarHBondContact O-N 2.81Å; D182-T185 VanDerWaalsContact O-N 3.13Å; D182-I186 WeakPolarHBondContact O-CG1 3.48Å; D182-I186 PolarHBondContact O-N 3.02Å; D182-R527 IonicContact OD1-CZ 3.78Å; D182-R527 IonicContact OD1-NH2 3.85Å; D182-R527 PolarHBondContact OD1-NH2 3.34Å; D182-R527 IonicContact OD2-CZ 2.81Å; D182-R527 IonicContact OD2-NE 3.45Å; D182-R527 PolarHBondContact OD2-NE 3.3Å; D182-R527 IonicContact OD2-NH2 3.3Å; D182-R527 PolarHBondContact OD2-NH2 3.31Å; D182-I533 HydrophobicContact CB-CD1 4.45Å
183	A	96.2	Very high	92.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-42	172	0	0	0	0	0	112.7	E139 A143 L146 A179 T180 K181 T185 I186 A187	E139-A183 HydrophobicContact CB-CB 4.2Å; E139-A183 WeakPolarHBondContact O-CB 3.44Å; A143-A183 HydrophobicContact CB-CB 4.41Å; A143-A183 WeakPolarHBondContact CB-O 3.44Å; L146-A183 HydrophobicContact CD1-CB 3.97Å; A179-A183 WeakPolarHBondContact O-CB 3.33Å; A179-A183 PolarHBondContact O-N 2.84Å; T180-A183 PolarHBondContact O-N 3.16Å; K181-A183 VanDerWaalsContact C-N 3.35Å; A183-T185 VanDerWaalsContact C-N 3.33Å; A183-T185 PolarHBondContact O-N 3.03Å; A183-I186 PolarHBondContact O-N 3.4Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.08Å
184	G	96.4	Very high	93	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-42.7	173.2	0	0	0	0	0	112.8	T180 K181 D182 I186 A187 G188 L189	T180-G184 PolarHBondContact O-N 2.88Å; K181-G184 PolarHBondContact O-N 2.82Å; D182-G184 VanDerWaalsContact C-N 3.35Å; D182-G184 PolarHBondContact O-N 2.8Å; G184-I186 PolarHBondContact O-N 3.45Å; G184-A187 CarbonylContact O-C 3.52Å; G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.37Å; G184-A187 VanDerWaalsContact O-N 3.15Å; G184-G188 PolarHBondContact O-N 2.87Å; G184-L189 CarbonylContact C-O 3.55Å; G184-L189 VanDerWaalsContact C-O 3.22Å; G184-L189 WeakPolarHBondContact O-CA 3.42Å; G184-L189 WeakPolarHBondContact O-CB 3.27Å; G184-L189 PolarHBondContact O-N 3.19Å
185	T	94.2	Very high	93.7	Very high	59 Å²	59	19.8 Å²	19.8	36%	0.362	12%	0.115	S	C	.	.	H	α-helix	trans	-61.3	-45.5	177.1	-53.1	0	0	0	0	111.2	K181 D182 A183 A187 G188 I533 I537	K181-T185 PolarHBondContact O-N 2.76Å; K181-T185 PolarHBondContact O-OG1 2.81Å; D182-T185 WeakPolarHBondContact O-CB 3.21Å; D182-T185 PolarHBondContact O-N 2.81Å; D182-T185 VanDerWaalsContact O-N 3.13Å; A183-T185 VanDerWaalsContact C-N 3.33Å; A183-T185 PolarHBondContact O-N 3.03Å; T185-A187 VanDerWaalsContact C-N 3.27Å; T185-A187 PolarHBondContact O-N 2.91Å; T185-G188 PolarHBondContact O-N 2.66Å; T185-I533 HydrophobicContact CG2-CG2 4.29Å; T185-I537 HydrophobicContact CG2-CD1 4.25Å
186	I	94.3	Very high	94.1	Very high	9 Å²	9	19 Å²	19	5%	0.046	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-35	176	-63.8	162.4	0	0	0	111.2	E139 E140 A143 D182 A183 G184 G188 L528 I533 M536 A540	E139-I186 HydrophobicContact CB-CD1 4.18Å; E140-I186 HydrophobicContact CG-CD1 4.45Å; A143-I186 HydrophobicContact CB-CB 3.6Å; A143-I186 HydrophobicContact CB-CG2 3.47Å; A143-I186 VanDerWaalsContact CB-CG2 3.47Å; D182-I186 WeakPolarHBondContact O-CG1 3.48Å; D182-I186 PolarHBondContact O-N 3.02Å; A183-I186 PolarHBondContact O-N 3.4Å; G184-I186 PolarHBondContact O-N 3.45Å; I186-G188 PolarHBondContact O-N 3.03Å; I186-L528 HydrophobicContact CD1-CD1 3.95Å; I186-I533 HydrophobicContact CG1-CG2 4.5Å; I186-M536 HydrophobicContact CD1-CB 4.02Å; I186-M536 HydrophobicContact CD1-SD 3.87Å; I186-M536 HydrophobicContact CG1-CB 4.01Å; I186-M536 HydrophobicContact CG2-CB 4.19Å; I186-A540 HydrophobicContact CG2-CB 4.06Å
187	A	95.8	Very high	94.4	Very high	15 Å²	15	19.2 Å²	19.2	12%	0.124	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-1	175.4	0	0	0	0	0	114	A143 L146 K150 A183 G184 T185 L189	A143-A187 HydrophobicContact CB-CB 4.24Å; A143-A187 WeakPolarHBondContact O-CB 3.42Å; L146-A187 HydrophobicContact CB-CB 3.76Å; K150-A187 PolarHBondContact NZ-O 2.81Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.08Å; G184-A187 CarbonylContact O-C 3.52Å; G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.37Å; G184-A187 VanDerWaalsContact O-N 3.15Å; T185-A187 VanDerWaalsContact C-N 3.27Å; T185-A187 PolarHBondContact O-N 2.91Å; A187-L189 VanDerWaalsContact C-N 3.35Å; A187-L189 HydrophobicContact CB-CD1 4.45Å
188	G	94.6	Very high	94.6	Very high	41 Å²	41	18.8 Å²	18.8	42%	0.423	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	35.5	-174.4	0	0	0	0	0	112.7	K150 G184 T185 I186	K150-G188 PolarHBondContact NZ-O 3.32Å; G184-G188 PolarHBondContact O-N 2.87Å; T185-G188 PolarHBondContact O-N 2.66Å; I186-G188 PolarHBondContact O-N 3.03Å
189	L	97.3	Very high	94.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	11%	0.105	C	C	.	.			trans	-115.4	130.1	171.9	-69.5	169.6	0	0	0	109.8	I30 L146 K150 V161 A164 G184 A187 I191	I30-L189 HydrophobicContact CD1-CD1 3.84Å; L146-L189 HydrophobicContact CB-CD1 4.43Å; K150-L189 HydrophobicContact CB-CD1 4.36Å; K150-L189 HydrophobicContact CB-CD2 4.32Å; K150-L189 HydrophobicContact CD-CD2 3.82Å; K150-L189 HydrophobicContact CD-CG 4.05Å; K150-L189 HydrophobicContact CG-CD2 4.21Å; V161-L189 HydrophobicContact CG1-CD2 4.32Å; A164-L189 HydrophobicContact CB-CD1 4.16Å; A164-L189 HydrophobicContact CB-CD2 4.26Å; G184-L189 CarbonylContact C-O 3.55Å; G184-L189 VanDerWaalsContact C-O 3.22Å; G184-L189 WeakPolarHBondContact O-CA 3.42Å; G184-L189 WeakPolarHBondContact O-CB 3.27Å; G184-L189 PolarHBondContact O-N 3.19Å; A187-L189 VanDerWaalsContact C-N 3.35Å; A187-L189 HydrophobicContact CB-CD1 4.45Å; L189-I191 HydrophobicContact CB-CD1 3.89Å; L189-I191 PolarHBondContact O-N 3.22Å
190	N	96.1	Very high	95.1	Very high	80 Å²	80	18 Å²	18	43%	0.428	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108	165	-179.5	16.7	0	0	0	108.9	T162 H163 A164 L192	T162-N190 PolarHBondContact O-N 3.33Å; H163-N190 WeakPolarHBondContact CA-O 3.41Å; H163-N190 PolarHBondContact CD2-ND2 3.03Å; H163-N190 PolarHBondContact NE2-ND2 3.47Å; A164-N190 PolarHBondContact N-O 3.08Å; A164-N190 VanDerWaalsContact N-O 3.08Å; N190-L192 PolarHBondContact O-N 3.15Å; N190-L192 VanDerWaalsContact O-N 3.15Å
191	I	96.2	Very high	95.2	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	99.8	178.6	-51	-48.4	0	0	0	109	A164 V166 K181 L189 I194	A164-I191 HydrophobicContact CB-CD1 4.03Å; A164-I191 WeakPolarHBondContact O-CA 3.25Å; V166-I191 HydrophobicContact CB-CG2 4.37Å; V166-I191 HydrophobicContact CG2-CD1 3.59Å; V166-I191 HydrophobicContact CG2-CG1 4.41Å; V166-I191 HydrophobicContact CG2-CG2 4.32Å; K181-I191 HydrophobicContact CG-CB 4.29Å; L189-I191 HydrophobicContact CB-CD1 3.89Å; L189-I191 PolarHBondContact O-N 3.22Å; I191-I194 HydrophobicContact CG2-CG1 4Å
192	L	95	Very high	95.3	Very high	35 Å²	35	15.1 Å²	15.1	18%	0.183	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-35.2	-177.8	-66.3	-178.5	0	0	0	111.9	Y24 V27 H163 A164 N190 I400	Y24-L192 HydrophobicContact CD1-CD1 3.88Å; Y24-L192 HydrophobicContact CD1-CD2 3.83Å; Y24-L192 HydrophobicContact CD2-CD1 4.05Å; Y24-L192 HydrophobicContact CE1-CD1 4.28Å; Y24-L192 HydrophobicContact CE1-CD2 3.7Å; Y24-L192 HydrophobicContact CE2-CD1 4.44Å; Y24-L192 HydrophobicContact CG-CD1 3.74Å; V27-L192 HydrophobicContact CG1-CD1 4.08Å; V27-L192 HydrophobicContact CG2-CD1 3.74Å; H163-L192 HydrophobicContact CB-CD1 3.89Å; H163-L192 HydrophobicContact CB-CG 4.2Å; A164-L192 PolarHBondContact O-N 2.96Å; N190-L192 PolarHBondContact O-N 3.15Å; N190-L192 VanDerWaalsContact O-N 3.15Å; L192-I400 HydrophobicContact CB-CG2 4.29Å; L192-I400 HydrophobicContact CD1-CG2 3.87Å
193	R	95	Very high	95.4	Very high	46 Å²	46	14.9 Å²	14.9	17%	0.174	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	139.5	177.2	-169.6	168	-174.5	172	5.3	111.5	V165 V166 I400 N501	V165-R193 WeakPolarHBondContact CA-O 3.27Å; V165-R193 HydrophobicContact CG1-CB 4.36Å; V165-R193 HydrophobicContact CG2-CB 4.2Å; V166-R193 PolarHBondContact N-O 3.1Å; V166-R193 VanDerWaalsContact N-O 3.15Å; R193-I400 HydrophobicContact CB-CD1 3.59Å; R193-I400 HydrophobicContact CG-CD1 4.3Å; R193-N501 WeakPolarHBondContact CA-OD1 3.19Å
194	I	94.8	Very high	95.3	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.9	161.4	-62.7	177	0	0	0	107.4	V166 V168 R177 K181 I191 N501	V166-I194 WeakPolarHBondContact O-CA 3.03Å; V168-I194 HydrophobicContact CB-CG2 4.21Å; V168-I194 HydrophobicContact CG1-CG2 3.78Å; V168-I194 HydrophobicContact CG2-CG2 3.38Å; R177-I194 HydrophobicContact CB-CD1 4.17Å; R177-I194 WeakPolarHBondContact O-CD1 3.19Å; K181-I194 HydrophobicContact CB-CD1 4.23Å; I191-I194 HydrophobicContact CG2-CG1 4Å; I194-N501 HydrophobicContact CB-CB 4.31Å; I194-N501 PolarHBondContact N-OD1 3.35Å
195	I	95.1	Very high	95.1	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146	177.8	-171	171.1	0	0	0	110.1	V165 V166 T167 V168 T199 A200 I203 A393 Q396 L411	V165-I195 HydrophobicContact CG1-CB 4.39Å; V165-I195 HydrophobicContact CG1-CG2 3.79Å; V166-I195 PolarHBondContact O-N 3.31Å; V166-I195 VanDerWaalsContact O-N 3.11Å; T167-I195 CarbonylContact C-O 3.52Å; T167-I195 VanDerWaalsContact CA-O 3.23Å; T167-I195 WeakPolarHBondContact CA-O 3.33Å; T167-I195 HydrophobicContact CG2-CG2 3.64Å; V168-I195 PolarHBondContact N-O 3.42Å; I195-T199 HydrophobicContact CD1-CG2 4.28Å; I195-T199 HydrophobicContact CG1-CG2 4.34Å; I195-A200 HydrophobicContact CD1-CB 4.1Å; I195-A200 HydrophobicContact CG1-CB 4.4Å; I195-A200 HydrophobicContact CG2-CB 4.15Å; I195-I203 HydrophobicContact CD1-CD1 3.6Å; I195-A393 HydrophobicContact CG2-CB 4.49Å; I195-Q396 HydrophobicContact CD1-CB 4.38Å; I195-Q396 HydrophobicContact CD1-CG 4.33Å; I195-L411 HydrophobicContact CD1-CD1 3.59Å; I195-L411 HydrophobicContact CG1-CD1 4.46Å
196	N	94.6	Very high	94.8	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.8	173.1	-67.3	-17.7	0	0	0	110.2	V168 A170 R177 P198 T199 A200 D413	V168-N196 CarbonylContact O-C 3.59Å; V168-N196 WeakPolarHBondContact O-CA 3.49Å; A170-N196 HydrophobicContact CB-CB 4.29Å; R177-N196 VanDerWaalsContact CZ-OD1 3.3Å; R177-N196 PolarHBondContact NH1-OD1 3.31Å; R177-N196 PolarHBondContact NH2-OD1 2.86Å; N196-P198 HydrophobicContact CB-CG 4.49Å; N196-T199 WeakPolarHBondContact O-CB 3.11Å; N196-T199 PolarHBondContact O-N 2.91Å; N196-T199 VanDerWaalsContact O-N 3.1Å; N196-A200 PolarHBondContact O-N 3.29Å; N196-D413 PolarHBondContact ND2-OD1 3.4Å; N196-D413 PolarHBondContact ND2-OD2 3.24Å
197	E	95.9	Very high	94.2	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-49.5	-52.1	176.7	-73.8	165.5	-164.4	0	0	112.8	K93 V168 P169 T199 A200 A201 V389	K93-E197 IonicContact NZ-OE1 3.07Å; K93-E197 PolarHBondContact NZ-OE1 3.23Å; V168-E197 VanDerWaalsContact C-CD 3.48Å; V168-E197 VanDerWaalsContact C-CG 3.49Å; V168-E197 VanDerWaalsContact C-OE1 3.32Å; V168-E197 WeakPolarHBondContact O-CG 3.42Å; V168-E197 PolarHBondContact O-N 3.43Å; P169-E197 WeakPolarHBondContact CD-OE1 3.48Å; E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.29Å; E197-A200 WeakPolarHBondContact O-CB 3.18Å; E197-A200 PolarHBondContact O-N 2.75Å; E197-A201 PolarHBondContact O-N 3.17Å; E197-V389 HydrophobicContact CB-CG1 4.16Å; E197-V389 HydrophobicContact CB-CG2 4.29Å; E197-V389 HydrophobicContact CG-CG1 3.85Å
198	P	94.9	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-33.2	178.7	23.8	-34.7	0	0	0	113.1	A170 N196 A201 A202 I218 D227 S229	A170-P198 HydrophobicContact CB-CG 3.78Å; N196-P198 HydrophobicContact CB-CG 4.49Å; P198-A201 PolarHBondContact O-N 3.42Å; P198-A202 WeakPolarHBondContact O-CB 3.34Å; P198-A202 PolarHBondContact O-N 3.46Å; P198-I218 HydrophobicContact CB-CB 4Å; P198-I218 HydrophobicContact CB-CG2 3.68Å; P198-D227 HydrophobicContact CG-CB 4.35Å; P198-S229 VanDerWaalsContact CG-OG 3.26Å; P198-S229 WeakPolarHBondContact CG-OG 3.37Å
199	T	94.7	Very high	92.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-66	-42.4	174.5	-53	0	0	0	0	110.9	I195 N196 E197 A202 I203 L411 D413	I195-T199 HydrophobicContact CD1-CG2 4.28Å; I195-T199 HydrophobicContact CG1-CG2 4.34Å; N196-T199 WeakPolarHBondContact O-CB 3.11Å; N196-T199 PolarHBondContact O-N 2.91Å; N196-T199 VanDerWaalsContact O-N 3.1Å; E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.29Å; T199-A202 WeakPolarHBondContact O-CB 3.41Å; T199-A202 PolarHBondContact O-N 2.89Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 3.14Å; T199-I203 VanDerWaalsContact O-N 3.1Å; T199-L411 HydrophobicContact CG2-CD1 4.38Å; T199-L411 HydrophobicContact CG2-CD2 4.3Å; T199-D413 PolarHBondContact OG1-OD2 3.04Å
200	A	96.5	Very high	91.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-45.8	175	0	0	0	0	0	111.2	T167 I195 N196 E197 A202 I203 A204 V389 G392	T167-A200 HydrophobicContact CG2-CB 4.08Å; I195-A200 HydrophobicContact CD1-CB 4.1Å; I195-A200 HydrophobicContact CG1-CB 4.4Å; I195-A200 HydrophobicContact CG2-CB 4.15Å; N196-A200 PolarHBondContact O-N 3.29Å; E197-A200 WeakPolarHBondContact O-CB 3.18Å; E197-A200 PolarHBondContact O-N 2.75Å; A200-A202 VanDerWaalsContact C-N 3.29Å; A200-A202 PolarHBondContact O-N 3.04Å; A200-I203 WeakPolarHBondContact O-CB 3.24Å; A200-I203 PolarHBondContact O-N 3.37Å; A200-I203 VanDerWaalsContact O-N 3.11Å; A200-A204 PolarHBondContact O-N 3.14Å; A200-A204 VanDerWaalsContact O-N 3.07Å; A200-V389 HydrophobicContact CB-CG1 4.41Å; A200-V389 WeakPolarHBondContact CB-O 3.35Å; A200-G392 VanDerWaalsContact O-CA 3.25Å; A200-G392 WeakPolarHBondContact O-CA 3.35Å
201	A	96.1	Very high	90.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-35.2	176.4	0	0	0	0	0	113.1	E197 P198 I203 A204 Y205 I218 V358 A388 V389	E197-A201 PolarHBondContact O-N 3.17Å; P198-A201 PolarHBondContact O-N 3.42Å; A201-I203 VanDerWaalsContact C-N 3.34Å; A201-I203 PolarHBondContact O-N 2.78Å; A201-A204 PolarHBondContact O-N 3.19Å; A201-Y205 PolarHBondContact O-N 2.99Å; A201-I218 HydrophobicContact CB-CG2 4.28Å; A201-V358 HydrophobicContact CB-CB 4.32Å; A201-V358 HydrophobicContact CB-CG1 3.96Å; A201-V358 HydrophobicContact CB-CG2 3.42Å; A201-V358 VanDerWaalsContact CB-CG2 3.42Å; A201-A388 HydrophobicContact CB-CB 4.21Å; A201-V389 HydrophobicContact CB-CG2 4.38Å
202	A	95.4	Very high	90	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-41.3	172.9	0	0	0	0	0	112	P198 T199 A200 Y205 G206 I216 I218 L231 F238	P198-A202 WeakPolarHBondContact O-CB 3.34Å; P198-A202 PolarHBondContact O-N 3.46Å; T199-A202 WeakPolarHBondContact O-CB 3.41Å; T199-A202 PolarHBondContact O-N 2.89Å; A200-A202 VanDerWaalsContact C-N 3.29Å; A200-A202 PolarHBondContact O-N 3.04Å; A202-Y205 PolarHBondContact O-N 2.83Å; A202-G206 PolarHBondContact O-N 2.96Å; A202-I216 HydrophobicContact CB-CD1 4.12Å; A202-I218 HydrophobicContact CB-CD1 4.03Å; A202-I218 HydrophobicContact CB-CG1 4.12Å; A202-L231 HydrophobicContact CB-CD1 4.12Å; A202-L231 HydrophobicContact CB-CD2 3.63Å; A202-L231 HydrophobicContact CB-CG 4.44Å; A202-F238 HydrophobicContact CB-CD1 4.23Å; A202-F238 VanDerWaalsContact O-CE1 3.27Å; A202-F238 WeakPolarHBondContact O-CE1 3.42Å
203	I	94.3	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-46.5	174.5	-62.8	164.1	0	0	0	110.7	I195 T199 A200 A201 Y205 G206 L207 F238 V395 V409 L411	I195-I203 HydrophobicContact CD1-CD1 3.6Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 3.14Å; T199-I203 VanDerWaalsContact O-N 3.1Å; A200-I203 WeakPolarHBondContact O-CB 3.24Å; A200-I203 PolarHBondContact O-N 3.37Å; A200-I203 VanDerWaalsContact O-N 3.11Å; A201-I203 VanDerWaalsContact C-N 3.34Å; A201-I203 PolarHBondContact O-N 2.78Å; I203-Y205 PolarHBondContact O-N 3.21Å; I203-G206 PolarHBondContact O-N 2.99Å; I203-L207 HydrophobicContact CG2-CG 4.29Å; I203-L207 WeakPolarHBondContact O-CG 3.49Å; I203-L207 PolarHBondContact O-N 3.37Å; I203-L207 VanDerWaalsContact O-N 3.16Å; I203-F238 HydrophobicContact CG1-CD1 4.48Å; I203-V395 HydrophobicContact CG2-CB 3.8Å; I203-V395 HydrophobicContact CG2-CG1 3.6Å; I203-V395 HydrophobicContact CG2-CG2 4.21Å; I203-V409 HydrophobicContact CD1-CG1 4.46Å; I203-V409 HydrophobicContact CG1-CG1 4.3Å; I203-L411 HydrophobicContact CD1-CD1 3.62Å; I203-L411 HydrophobicContact CD1-CD2 3.53Å; I203-L411 HydrophobicContact CD1-CG 4.16Å; I203-L411 HydrophobicContact CG1-CD2 3.67Å
204	A	93.6	Very high	89.9	Confident	18 Å²	18	40 Å²	40	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-35.9	178.5	0	0	0	0	0	112.3	A200 A201 A388 Y391	A200-A204 PolarHBondContact O-N 3.14Å; A200-A204 VanDerWaalsContact O-N 3.07Å; A201-A204 PolarHBondContact O-N 3.19Å; A204-A388 HydrophobicContact CB-CB 4.31Å; A204-A388 VanDerWaalsContact CB-O 3.27Å; A204-A388 WeakPolarHBondContact CB-O 3.47Å; A204-Y391 HydrophobicContact CB-CD1 3.56Å; A204-Y391 HydrophobicContact CB-CE1 4.4Å; A204-Y391 HydrophobicContact CB-CG 4.07Å
205	Y	92	Very high	90	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-74.3	-44.2	174.4	165.4	-93.5	0	0	0	113.4	A201 A202 I203 K209 I216 I233 E354 I356 N380 V383	A201-Y205 PolarHBondContact O-N 2.99Å; A202-Y205 PolarHBondContact O-N 2.83Å; I203-Y205 PolarHBondContact O-N 3.21Å; Y205-K209 HydrophobicContact CE1-CG 4Å; Y205-I216 HydrophobicContact CD1-CD1 3.82Å; Y205-I216 HydrophobicContact CE1-CD1 4.21Å; Y205-I216 HydrophobicContact CE1-CG2 3.93Å; Y205-I233 HydrophobicContact CD1-CD1 3.93Å; Y205-I233 HydrophobicContact CE1-CD1 4.13Å; Y205-E354 VanDerWaalsContact CE2-OE2 3.28Å; Y205-E354 WeakPolarHBondContact CE2-OE2 3.42Å; Y205-E354 VanDerWaalsContact CZ-OE2 3.28Å; Y205-E354 PolarHBondContact OH-OE1 3.36Å; Y205-E354 PolarHBondContact OH-OE2 2.92Å; Y205-I356 HydrophobicContact CD1-CD1 4.4Å; Y205-I356 HydrophobicContact CD2-CD1 3.47Å; Y205-I356 VanDerWaalsContact CD2-CD1 3.47Å; Y205-I356 HydrophobicContact CD2-CG1 4.16Å; Y205-I356 HydrophobicContact CE1-CD1 4.46Å; Y205-I356 HydrophobicContact CE2-CD1 3.52Å; Y205-I356 HydrophobicContact CG-CD1 3.95Å; Y205-I356 HydrophobicContact CG-CG1 4.15Å; Y205-N380 WeakPolarHBondContact CE2-ND2 3.19Å; Y205-V383 HydrophobicContact CD2-CG1 4.5Å
206	G	88.8	Confident	90	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-88.7	-10.6	-164.7	0	0	0	0	0	116.1	A202 I203 D208 K209	A202-G206 PolarHBondContact O-N 2.96Å; I203-G206 PolarHBondContact O-N 2.99Å; G206-D208 VanDerWaalsContact C-N 3.26Å; G206-D208 PolarHBondContact O-N 2.84Å; G206-K209 WeakPolarHBondContact O-CB 3.28Å; G206-K209 PolarHBondContact O-N 3.24Å
207	L	82.1	Confident	90.2	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.209	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.9	-177.1	-91.2	172.4	0	0	0	114.7	I203 Y391 V395 V409	I203-L207 HydrophobicContact CG2-CG 4.29Å; I203-L207 WeakPolarHBondContact O-CG 3.49Å; I203-L207 PolarHBondContact O-N 3.37Å; I203-L207 VanDerWaalsContact O-N 3.16Å; L207-Y391 HydrophobicContact CD1-CE1 3.86Å; L207-V395 HydrophobicContact CD1-CB 4.25Å; L207-V395 HydrophobicContact CD1-CG1 3.9Å; L207-V395 HydrophobicContact CD1-CG2 3.34Å; L207-V395 HydrophobicContact CD2-CG1 3.94Å; L207-V395 HydrophobicContact CG-CG1 4.28Å; L207-V395 HydrophobicContact CG-CG2 4.45Å; L207-V409 HydrophobicContact CD2-CG2 3.98Å
208	D	79.9	Confident	90.3	Very high	147 Å²	147	40.1 Å²	40.1	79%	0.786	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	0.8	179.5	-66	-39.5	0	0	0	113	G206 K210	G206-D208 VanDerWaalsContact C-N 3.26Å; G206-D208 PolarHBondContact O-N 2.84Å; D208-K210 PolarHBondContact O-N 2.73Å
209	K	79.1	Confident	90.5	Very high	80 Å²	80	40.1 Å²	40.1	35%	0.348	21%	0.211	S	C	.	.			trans	-93	105.5	-176.2	-55.7	-58.7	-179.6	-175.8	0	109.8	Y205 G206	Y205-K209 HydrophobicContact CE1-CG 4Å; G206-K209 WeakPolarHBondContact O-CB 3.28Å; G206-K209 PolarHBondContact O-N 3.24Å
210	K	70.2	Confident	90.6	Very high	160 Å²	160	40.3 Å²	40.3	70%	0.696	21%	0.212	S	C	*	.			trans	-112.7	-3.1	178.6	-60.6	-175.5	-179	179.2	0	113.6	D208 G212	D208-K210 PolarHBondContact O-N 2.73Å; K210-G212 PolarHBondContact O-N 2.95Å
211	D	76.9	Confident	90.6	Very high	143 Å²	143	40.3 Å²	40.3	77%	0.765	21%	0.212	S	C	*	.	S	Bend	trans	-97.2	96	-171.7	-60.5	-37.6	0	0	0	111.2
212	G	85.2	Confident	90.6	Very high	48 Å²	48	40.9 Å²	40.9	50%	0.495	22%	0.217	S	C	.	.	S	Bend	trans	68.1	-178.3	170	0	0	0	0	0	115.3	K210	K210-G212 PolarHBondContact O-N 2.95Å
213	E	92.7	Very high	90.5	Very high	118 Å²	118	41.8 Å²	41.8	55%	0.551	23%	0.226	S	C	*	.			trans	-75.2	135.8	170.8	-174.4	-175.4	95.2	0	0	109.6	T232 I233 E234	E213-T232 HydrophobicContact CG-CG2 3.45Å; E213-T232 VanDerWaalsContact CG-CG2 3.45Å; E213-I233 CarbonylContact C-O 3.58Å; E213-I233 WeakPolarHBondContact CA-O 3.37Å; E213-E234 HydrophobicContact CB-CB 4.46Å; E213-E234 HydrophobicContact CB-CG 4.33Å
214	K	94.6	Very high	90.5	Very high	50 Å²	50	41.8 Å²	41.8	22%	0.217	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.9	174.3	-71.7	-168.8	171.4	-167.1	0	111.8	I216 T232 I233 D353 E354	K214-I216 HydrophobicContact CB-CG2 4.41Å; K214-T232 CarbonylContact O-C 3.59Å; K214-T232 WeakPolarHBondContact O-CA 3.32Å; K214-I233 PolarHBondContact N-O 3.1Å; K214-I233 PolarHBondContact O-N 2.95Å; K214-D353 WeakPolarHBondContact CA-OD2 3.21Å; K214-E354 IonicContact NZ-OE1 2.81Å; K214-E354 PolarHBondContact NZ-OE1 2.91Å
215	N	96.9	Very high	90.4	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.4	169.1	-63.4	-43.5	0	0	0	109.3	L231 T232 M347 D351 I352 D353	N215-L231 CarbonylContact C-O 3.58Å; N215-L231 WeakPolarHBondContact CA-O 3.37Å; N215-T232 PolarHBondContact OD1-OG1 3.38Å; N215-M347 HydrophobicContact CB-SD 4.39Å; N215-D351 WeakPolarHBondContact CB-O 3.25Å; N215-D351 PolarHBondContact ND2-O 2.86Å; N215-I352 CarbonylContact O-C 3.31Å; N215-D353 PolarHBondContact N-OD2 3.08Å; N215-D353 WeakPolarHBondContact O-CB 3.35Å; N215-D353 PolarHBondContact O-N 2.83Å
216	I	96.8	Very high	90.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.7	178.4	67.7	161.8	0	0	0	110.9	A202 Y205 K214 I218 L230 L231 I233 E354 I356	A202-I216 HydrophobicContact CB-CD1 4.12Å; Y205-I216 HydrophobicContact CD1-CD1 3.82Å; Y205-I216 HydrophobicContact CE1-CD1 4.21Å; Y205-I216 HydrophobicContact CE1-CG2 3.93Å; K214-I216 HydrophobicContact CB-CG2 4.41Å; I216-I218 HydrophobicContact CD1-CD1 3.62Å; I216-I218 HydrophobicContact CD1-CG1 4.32Å; I216-I218 HydrophobicContact CG1-CD1 4.47Å; I216-L230 WeakPolarHBondContact O-CA 3.33Å; I216-L231 HydrophobicContact CG1-CB 4.08Å; I216-L231 PolarHBondContact N-O 3.26Å; I216-L231 PolarHBondContact O-N 2.91Å; I216-I233 HydrophobicContact CD1-CD1 3.37Å; I216-I233 HydrophobicContact CD1-CG1 4.25Å; I216-I233 HydrophobicContact CG1-CD1 3.9Å; I216-I233 HydrophobicContact CG1-CG1 4.32Å; I216-E354 WeakPolarHBondContact CA-O 3.41Å; I216-E354 HydrophobicContact CG2-CB 4.19Å; I216-I356 HydrophobicContact CD1-CG1 4.18Å
217	L	98.1	Very high	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.9	170	-175.9	135.9	0	0	0	109.3	F219 V228 V338 V341 I352 E354 I355 I356 F375	L217-F219 HydrophobicContact CD2-CB 4.05Å; L217-V228 HydrophobicContact CD1-CG1 3.83Å; L217-V228 HydrophobicContact CD2-CG1 3.92Å; L217-V228 HydrophobicContact CG-CG1 3.85Å; L217-V338 HydrophobicContact CD1-CG1 4.35Å; L217-V341 HydrophobicContact CD1-CG2 4.01Å; L217-I352 HydrophobicContact CB-CG2 3.82Å; L217-E354 PolarHBondContact N-O 3.08Å; L217-I355 HydrophobicContact CD2-CG2 3.99Å; L217-I355 CarbonylContact O-C 3.57Å; L217-I355 WeakPolarHBondContact O-CA 3.47Å; L217-I356 PolarHBondContact O-N 3.43Å; L217-F375 HydrophobicContact CD1-CZ 3.82Å; L217-F375 HydrophobicContact CD2-CE2 4.36Å; L217-F375 HydrophobicContact CD2-CZ 4.23Å
218	I	97.9	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.1	170	-52.9	-59.5	0	0	0	107.7	P198 A201 A202 I216 V228 S229 L231 I356 V358	P198-I218 HydrophobicContact CB-CB 4Å; P198-I218 HydrophobicContact CB-CG2 3.68Å; A201-I218 HydrophobicContact CB-CG2 4.28Å; A202-I218 HydrophobicContact CB-CD1 4.03Å; A202-I218 HydrophobicContact CB-CG1 4.12Å; I216-I218 HydrophobicContact CD1-CD1 3.62Å; I216-I218 HydrophobicContact CD1-CG1 4.32Å; I216-I218 HydrophobicContact CG1-CD1 4.47Å; I218-V228 WeakPolarHBondContact O-CA 3.33Å; I218-S229 PolarHBondContact N-O 2.81Å; I218-S229 PolarHBondContact O-N 3.2Å; I218-L231 HydrophobicContact CB-CD1 4.42Å; I218-L231 HydrophobicContact CG1-CD1 3.53Å; I218-I356 HydrophobicContact CD1-CB 3.62Å; I218-I356 HydrophobicContact CD1-CG1 3.7Å; I218-I356 HydrophobicContact CD1-CG2 4.16Å; I218-V358 HydrophobicContact CG2-CB 4.45Å; I218-V358 HydrophobicContact CG2-CG2 3.72Å
219	F	98	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	98.4	172.5	-171.9	-83.3	0	0	0	108.1	L217 L221 F226 V228 T334 V338 I356 L357 V358 T362 V367 L371	L217-F219 HydrophobicContact CD2-CB 4.05Å; F219-L221 HydrophobicContact CD1-CB 4.26Å; F219-L221 HydrophobicContact CE1-CB 3.79Å; F219-L221 HydrophobicContact CE1-CD2 4.18Å; F219-F226 HydrophobicContact CD1-CE2 4.08Å; F219-F226 AromaticContact CD2-CE2 3.77Å; F219-F226 HydrophobicContact CD2-CE2 3.77Å; F219-F226 AromaticContact CD2-CZ 3.94Å; F219-F226 HydrophobicContact CD2-CZ 3.94Å; F219-F226 HydrophobicContact CE1-CD2 4.44Å; F219-F226 AromaticContact CE1-CE2 3.68Å; F219-F226 HydrophobicContact CE1-CE2 3.68Å; F219-F226 HydrophobicContact CE1-CZ 4.46Å; F219-F226 AromaticContact CE2-CE2 3.34Å; F219-F226 HydrophobicContact CE2-CE2 3.34Å; F219-F226 AromaticContact CE2-CZ 3.33Å; F219-F226 HydrophobicContact CE2-CZ 3.33Å; F219-F226 HydrophobicContact CG-CE2 4.13Å; F219-F226 HydrophobicContact CZ-CD2 4.31Å; F219-F226 AromaticContact CZ-CE2 3.31Å; F219-F226 HydrophobicContact CZ-CE2 3.31Å; F219-F226 AromaticContact CZ-CZ 3.66Å; F219-F226 HydrophobicContact CZ-CZ 3.66Å; F219-V228 HydrophobicContact CD2-CG2 4.21Å; F219-T334 HydrophobicContact CZ-CG2 4.23Å; F219-V338 HydrophobicContact CD2-CG2 3.85Å; F219-V338 HydrophobicContact CE2-CG2 3.81Å; F219-I356 PolarHBondContact N-O 3.48Å; F219-L357 HydrophobicContact CB-CD2 4.26Å; F219-L357 HydrophobicContact CD1-CD2 4.38Å; F219-V358 PolarHBondContact O-N 3.17Å; F219-T362 HydrophobicContact CD1-CG2 3.84Å; F219-T362 HydrophobicContact CE1-CG2 4.22Å; F219-V367 HydrophobicContact CE1-CG1 3.67Å; F219-V367 HydrophobicContact CZ-CG1 3.96Å; F219-L371 HydrophobicContact CB-CD1 4.42Å; F219-L371 HydrophobicContact CD1-CD1 3.81Å; F219-L371 HydrophobicContact CD2-CD1 3.93Å; F219-L371 HydrophobicContact CD2-CD2 3.69Å; F219-L371 HydrophobicContact CD2-CG 4.39Å; F219-L371 HydrophobicContact CE1-CD1 3.94Å; F219-L371 HydrophobicContact CE2-CD1 4.04Å; F219-L371 HydrophobicContact CE2-CD2 3.64Å; F219-L371 HydrophobicContact CE2-CG 4.24Å; F219-L371 HydrophobicContact CG-CD1 3.79Å; F219-L371 HydrophobicContact CG-CD2 4.37Å; F219-L371 HydrophobicContact CZ-CD1 4.04Å; F219-L371 HydrophobicContact CZ-CD2 4.3Å; F219-L371 HydrophobicContact CZ-CG 4.44Å
220	D	97.1	Very high	93.3	Very high	5 Å²	5	28 Å²	28	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	103.3	-177.5	-168.2	-13.2	0	0	0	110.1	F226 D227 V358	D220-F226 CarbonylContact O-C 3.59Å; D220-F226 WeakPolarHBondContact O-CA 3.41Å; D220-F226 VanDerWaalsContact O-CD2 3.24Å; D220-F226 WeakPolarHBondContact O-CD2 3.47Å; D220-D227 WeakPolarHBondContact CA-O 3.4Å; D220-D227 HydrophobicContact CB-CB 4.33Å; D220-D227 WeakPolarHBondContact CB-O 3.28Å; D220-D227 PolarHBondContact N-O 2.83Å; D220-D227 PolarHBondContact O-N 3.21Å; D220-V358 CarbonylContact C-O 3.54Å; D220-V358 WeakPolarHBondContact CA-O 3.44Å; D220-V358 HydrophobicContact CB-CB 4.06Å; D220-V358 HydrophobicContact CB-CG1 4.37Å
221	L	97.3	Very high	94.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	95.6	176.9	-171.9	67.7	0	0	0	108.9	F219 F226 F254 T334 V358 G359 S361 T362 V367	F219-L221 HydrophobicContact CD1-CB 4.26Å; F219-L221 HydrophobicContact CE1-CB 3.79Å; F219-L221 HydrophobicContact CE1-CD2 4.18Å; L221-F226 HydrophobicContact CB-CD2 4.04Å; L221-F226 HydrophobicContact CD1-CB 3.74Å; L221-F226 HydrophobicContact CD1-CD2 3.52Å; L221-F226 HydrophobicContact CD1-CE2 4.42Å; L221-F226 HydrophobicContact CD1-CG 3.85Å; L221-F226 HydrophobicContact CG-CD2 4.35Å; L221-F254 HydrophobicContact CD2-CE2 4.2Å; L221-F254 HydrophobicContact CD2-CZ 4.26Å; L221-T334 HydrophobicContact CD1-CG2 4.24Å; L221-T334 HydrophobicContact CD2-CG2 4.49Å; L221-V358 PolarHBondContact N-O 3.02Å; L221-G359 CarbonylContact O-C 3.6Å; L221-G359 VanDerWaalsContact O-C 3.31Å; L221-G359 WeakPolarHBondContact O-CA 3.36Å; L221-S361 VanDerWaalsContact O-CB 3.26Å; L221-S361 WeakPolarHBondContact O-CB 3.48Å; L221-S361 PolarHBondContact O-N 3.08Å; L221-T362 HydrophobicContact CB-CG2 3.73Å; L221-V367 HydrophobicContact CD2-CG1 4.06Å; L221-V367 HydrophobicContact CD2-CG2 4.05Å
222	G	95.7	Very high	95.5	Very high	11 Å²	11	14.5 Å²	14.5	11%	0.113	9%	0.091	C	C	.	.			trans	-88.6	-155.9	-176.8	0	0	0	0	0	114	T225 G250 G251 S361	G222-T225 PolarHBondContact N-O 2.84Å; G222-G250 WeakPolarHBondContact O-CA 3.32Å; G222-G251 PolarHBondContact O-N 3.28Å; G222-S361 WeakPolarHBondContact O-CB 3.38Å; G222-S361 PolarHBondContact O-OG 3.38Å
223	G	94.5	Very high	95.9	Very high	19 Å²	19	12.4 Å²	12.4	20%	0.196	7%	0.068	C	C	.	.	S	Bend	trans	-78.9	-32.6	176.9	0	0	0	0	0	113.9	T35 G250 G251 E252	T35-G223 WeakPolarHBondContact OG1-CA 3.35Å; G223-G250 CarbonylContact O-C 3.55Å; G223-G251 PolarHBondContact O-N 3.44Å; G223-E252 WeakPolarHBondContact O-CB 3.25Å; G223-E252 PolarHBondContact O-N 3.45Å
224	G	92.7	Very high	95.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-137	-10.9	179.1	0	0	0	0	0	116.3	R94 T247 L249	R94-G224 VanDerWaalsContact NH2-CA 3.26Å; G224-T247 CarbonylContact O-C 3.22Å; G224-T247 VanDerWaalsContact O-O 3.09Å; G224-L249 PolarHBondContact O-N 3.38Å
225	T	92.6	Very high	95.6	Very high	10 Å²	10	14.3 Å²	14.3	6%	0.061	8%	0.082	C	C	.	.			trans	-123.8	150.8	179.7	52.5	0	0	0	0	110.6	P169 G222 L249	P169-T225 HydrophobicContact CB-CG2 4.26Å; P169-T225 HydrophobicContact CG-CG2 3.83Å; G222-T225 PolarHBondContact N-O 2.84Å; T225-L249 CarbonylContact C-O 3.59Å
226	F	95.6	Very high	95.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.1	171.5	173.8	-124.8	0	0	0	108.8	F219 D220 L221 V228 G245 D246 L249 T334 P337	F219-F226 HydrophobicContact CD1-CE2 4.08Å; F219-F226 AromaticContact CD2-CE2 3.77Å; F219-F226 HydrophobicContact CD2-CE2 3.77Å; F219-F226 AromaticContact CD2-CZ 3.94Å; F219-F226 HydrophobicContact CD2-CZ 3.94Å; F219-F226 HydrophobicContact CE1-CD2 4.44Å; F219-F226 AromaticContact CE1-CE2 3.68Å; F219-F226 HydrophobicContact CE1-CE2 3.68Å; F219-F226 HydrophobicContact CE1-CZ 4.46Å; F219-F226 AromaticContact CE2-CE2 3.34Å; F219-F226 HydrophobicContact CE2-CE2 3.34Å; F219-F226 AromaticContact CE2-CZ 3.33Å; F219-F226 HydrophobicContact CE2-CZ 3.33Å; F219-F226 HydrophobicContact CG-CE2 4.13Å; F219-F226 HydrophobicContact CZ-CD2 4.31Å; F219-F226 AromaticContact CZ-CE2 3.31Å; F219-F226 HydrophobicContact CZ-CE2 3.31Å; F219-F226 AromaticContact CZ-CZ 3.66Å; F219-F226 HydrophobicContact CZ-CZ 3.66Å; D220-F226 CarbonylContact O-C 3.59Å; D220-F226 WeakPolarHBondContact O-CA 3.41Å; D220-F226 VanDerWaalsContact O-CD2 3.24Å; D220-F226 WeakPolarHBondContact O-CD2 3.47Å; L221-F226 HydrophobicContact CB-CD2 4.04Å; L221-F226 HydrophobicContact CD1-CB 3.74Å; L221-F226 HydrophobicContact CD1-CD2 3.52Å; L221-F226 HydrophobicContact CD1-CE2 4.42Å; L221-F226 HydrophobicContact CD1-CG 3.85Å; L221-F226 HydrophobicContact CG-CD2 4.35Å; F226-V228 HydrophobicContact CE1-CG2 3.7Å; F226-V228 HydrophobicContact CE2-CG2 3.61Å; F226-V228 HydrophobicContact CZ-CG2 3.1Å; F226-G245 CarbonylContact O-C 3.6Å; F226-G245 WeakPolarHBondContact O-CA 3.49Å; F226-D246 PolarHBondContact N-O 3.34Å; F226-D246 PolarHBondContact O-N 2.93Å; F226-L249 HydrophobicContact CB-CB 4.07Å; F226-L249 HydrophobicContact CB-CD2 4.12Å; F226-L249 HydrophobicContact CB-CG 4.15Å; F226-L249 WeakPolarHBondContact CB-O 3.42Å; F226-L249 HydrophobicContact CD1-CD2 3.91Å; F226-L249 HydrophobicContact CG-CD2 4.22Å; F226-L249 PolarHBondContact N-O 3.33Å; F226-T334 HydrophobicContact CD1-CG2 4.43Å; F226-T334 VanDerWaalsContact CE1-CA 3.47Å; F226-T334 HydrophobicContact CE1-CG2 4.27Å; F226-T334 VanDerWaalsContact CE1-O 3.22Å; F226-T334 WeakPolarHBondContact CE1-O 3.5Å; F226-T334 HydrophobicContact CE2-CG2 4.44Å; F226-T334 HydrophobicContact CZ-CG2 4.27Å; F226-T334 VanDerWaalsContact CZ-O 3.23Å; F226-T334 WeakPolarHBondContact CZ-O 3.25Å; F226-P337 HydrophobicContact CD1-CG 4.06Å; F226-P337 HydrophobicContact CE1-CB 3.84Å; F226-P337 HydrophobicContact CE1-CG 3.63Å
227	D	95.1	Very high	94.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.7	175.4	-67	-87.5	0	0	0	110	P169 A170 Y171 P198 D220	P169-D227 WeakPolarHBondContact CB-OD2 3.43Å; A170-D227 HydrophobicContact CB-CB 4.48Å; A170-D227 PolarHBondContact N-OD1 2.93Å; Y171-D227 PolarHBondContact N-OD1 3.1Å; Y171-D227 VanDerWaalsContact N-OD1 3.17Å; P198-D227 HydrophobicContact CG-CB 4.35Å; D220-D227 WeakPolarHBondContact CA-O 3.4Å; D220-D227 HydrophobicContact CB-CB 4.33Å; D220-D227 WeakPolarHBondContact CB-O 3.28Å; D220-D227 PolarHBondContact N-O 2.83Å; D220-D227 PolarHBondContact O-N 3.21Å
228	V	96.6	Very high	94.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.3	172.9	-171.2	0	0	0	0	107.7	L217 I218 F219 F226 T243 N244 P337 V338 V341	L217-V228 HydrophobicContact CD1-CG1 3.83Å; L217-V228 HydrophobicContact CD2-CG1 3.92Å; L217-V228 HydrophobicContact CG-CG1 3.85Å; I218-V228 WeakPolarHBondContact O-CA 3.33Å; F219-V228 HydrophobicContact CD2-CG2 4.21Å; F226-V228 HydrophobicContact CE1-CG2 3.7Å; F226-V228 HydrophobicContact CE2-CG2 3.61Å; F226-V228 HydrophobicContact CZ-CG2 3.1Å; V228-T243 WeakPolarHBondContact O-CA 3.48Å; V228-T243 PolarHBondContact O-OG1 3.44Å; V228-N244 PolarHBondContact N-O 3.31Å; V228-N244 PolarHBondContact O-N 3.07Å; V228-N244 VanDerWaalsContact O-O 3.06Å; V228-P337 HydrophobicContact CB-CB 4.49Å; V228-P337 HydrophobicContact CG2-CB 4.02Å; V228-V338 HydrophobicContact CG1-CG2 4.11Å; V228-V338 HydrophobicContact CG2-CG2 3.88Å; V228-V341 HydrophobicContact CB-CG1 4.42Å; V228-V341 HydrophobicContact CB-CG2 4.48Å; V228-V341 HydrophobicContact CG1-CG1 4.45Å; V228-V341 HydrophobicContact CG1-CG2 3.71Å
229	S	97	Very high	94.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.6	175.2	-60.2	0	0	0	0	110.4	P198 I218 A242 T243	P198-S229 VanDerWaalsContact CG-OG 3.26Å; P198-S229 WeakPolarHBondContact CG-OG 3.37Å; I218-S229 PolarHBondContact N-O 2.81Å; I218-S229 PolarHBondContact O-N 3.2Å; S229-A242 WeakPolarHBondContact CA-O 3.44Å; S229-T243 PolarHBondContact OG-OG1 2.98Å
230	L	98	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.5	170.4	-166.7	160.2	0	0	0	107.5	I216 V241 A242 L342 A345 M347 I352	I216-L230 WeakPolarHBondContact O-CA 3.33Å; L230-V241 HydrophobicContact CD2-CB 3.79Å; L230-V241 HydrophobicContact CD2-CG1 4.38Å; L230-V241 HydrophobicContact CD2-CG2 3.83Å; L230-V241 PolarHBondContact O-N 2.97Å; L230-A242 PolarHBondContact N-O 3.5Å; L230-A242 PolarHBondContact O-N 3.23Å; L230-L342 HydrophobicContact CD1-CD2 4.09Å; L230-A345 HydrophobicContact CD1-CB 3.77Å; L230-A345 HydrophobicContact CD2-CB 4.46Å; L230-M347 HydrophobicContact CD1-CB 4.39Å; L230-M347 HydrophobicContact CD1-SD 3.83Å; L230-M347 HydrophobicContact CD2-CE 4.07Å; L230-M347 HydrophobicContact CD2-SD 3.64Å; L230-M347 HydrophobicContact CG-SD 4.36Å; L230-I352 HydrophobicContact CD1-CD1 3.43Å; L230-I352 VanDerWaalsContact CD1-CD1 3.43Å; L230-I352 HydrophobicContact CG-CD1 4Å
231	L	97.4	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.7	178.1	-60.5	92.8	0	0	0	111.2	A202 N215 I216 I218 E239 V240	A202-L231 HydrophobicContact CB-CD1 4.12Å; A202-L231 HydrophobicContact CB-CD2 3.63Å; A202-L231 HydrophobicContact CB-CG 4.44Å; N215-L231 CarbonylContact C-O 3.58Å; N215-L231 WeakPolarHBondContact CA-O 3.37Å; I216-L231 HydrophobicContact CG1-CB 4.08Å; I216-L231 PolarHBondContact N-O 3.26Å; I216-L231 PolarHBondContact O-N 2.91Å; I218-L231 HydrophobicContact CB-CD1 4.42Å; I218-L231 HydrophobicContact CG1-CD1 3.53Å; L231-E239 CarbonylContact C-O 3.56Å; L231-E239 WeakPolarHBondContact CA-O 3.25Å; L231-E239 WeakPolarHBondContact CB-O 3.26Å; L231-V240 HydrophobicContact CD2-CG2 3.68Å; L231-V240 HydrophobicContact CG-CB 4.46Å; L231-V240 HydrophobicContact CG-CG2 4.02Å
232	T	96.2	Very high	94.5	Very high	19 Å²	19	21.9 Å²	21.9	12%	0.117	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	165.1	-58.7	0	0	0	0	108.2	E213 K214 N215 E239 V241	E213-T232 HydrophobicContact CG-CG2 3.45Å; E213-T232 VanDerWaalsContact CG-CG2 3.45Å; K214-T232 CarbonylContact O-C 3.59Å; K214-T232 WeakPolarHBondContact O-CA 3.32Å; N215-T232 PolarHBondContact OD1-OG1 3.38Å; T232-E239 PolarHBondContact N-O 3.18Å; T232-E239 PolarHBondContact O-N 3.05Å; T232-V241 WeakPolarHBondContact OG1-CG2 2.99Å
233	I	93.8	Very high	94.4	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.8	178	-57.7	177.8	0	0	0	108.6	Y205 E213 K214 I216 V237 F238	Y205-I233 HydrophobicContact CD1-CD1 3.93Å; Y205-I233 HydrophobicContact CE1-CD1 4.13Å; E213-I233 CarbonylContact C-O 3.58Å; E213-I233 WeakPolarHBondContact CA-O 3.37Å; K214-I233 PolarHBondContact N-O 3.1Å; K214-I233 PolarHBondContact O-N 2.95Å; I216-I233 HydrophobicContact CD1-CD1 3.37Å; I216-I233 HydrophobicContact CD1-CG1 4.25Å; I216-I233 HydrophobicContact CG1-CD1 3.9Å; I216-I233 HydrophobicContact CG1-CG1 4.32Å; I233-V237 WeakPolarHBondContact CA-O 3.37Å; I233-F238 HydrophobicContact CD1-CD1 3.76Å; I233-F238 HydrophobicContact CD1-CE1 3.69Å; I233-F238 HydrophobicContact CG1-CD1 3.73Å; I233-F238 HydrophobicContact CG1-CE1 4.05Å; I233-F238 HydrophobicContact CG2-CD1 4.28Å; I233-F238 HydrophobicContact CG2-CE1 4.04Å; I233-F238 HydrophobicContact CG2-CZ 4.37Å
234	E	92.7	Very high	94.2	Very high	93 Å²	93	21.2 Å²	21.2	44%	0.435	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.7	175.5	-168.9	-170.9	-173.3	0	0	110.2	E213 G236 V237	E213-E234 HydrophobicContact CB-CB 4.46Å; E213-E234 HydrophobicContact CB-CG 4.33Å; E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 2.9Å; E234-G236 VanDerWaalsContact O-N 3.09Å; E234-V237 PolarHBondContact N-O 2.66Å; E234-V237 VanDerWaalsContact O-CB 3.31Å; E234-V237 WeakPolarHBondContact O-CB 3.38Å; E234-V237 PolarHBondContact O-N 3.18Å
235	N	87.6	Confident	94	Very high	115 Å²	115	21.8 Å²	21.8	62%	0.615	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	40.4	171.9	-63.7	-47.9	0	0	0	115.3	V237	N235-V237 VanDerWaalsContact C-N 3.32Å
236	G	87.2	Confident	93.7	Very high	16 Å²	16	22.9 Å²	22.9	17%	0.165	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	0.4	-179.2	0	0	0	0	0	115	E234 F238 V409 V410	E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 2.9Å; E234-G236 VanDerWaalsContact O-N 3.09Å; G236-F238 WeakPolarHBondContact O-CD2 3.34Å; G236-F238 WeakPolarHBondContact O-CE2 3.38Å; G236-V409 WeakPolarHBondContact O-CA 3.27Å; G236-V410 PolarHBondContact O-N 2.85Å
237	V	92	Very high	93.1	Very high	52 Å²	52	24.1 Å²	24.1	32%	0.315	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.9	167.5	-173.5	0	0	0	0	108.8	I233 E234 N235 V410 L412	I233-V237 WeakPolarHBondContact CA-O 3.37Å; E234-V237 PolarHBondContact N-O 2.66Å; E234-V237 VanDerWaalsContact O-CB 3.31Å; E234-V237 WeakPolarHBondContact O-CB 3.38Å; E234-V237 PolarHBondContact O-N 3.18Å; N235-V237 VanDerWaalsContact C-N 3.32Å; V237-V410 WeakPolarHBondContact CA-O 3.31Å; V237-V410 HydrophobicContact CG1-CB 4.48Å; V237-V410 HydrophobicContact CG2-CB 4.27Å; V237-L412 HydrophobicContact CG1-CD1 4.29Å
238	F	94.5	Very high	92.8	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	104.6	176.1	-61	-103.7	0	0	0	108	A202 I203 I233 G236 V409 V410 L411 L412	A202-F238 HydrophobicContact CB-CD1 4.23Å; A202-F238 VanDerWaalsContact O-CE1 3.27Å; A202-F238 WeakPolarHBondContact O-CE1 3.42Å; I203-F238 HydrophobicContact CG1-CD1 4.48Å; I233-F238 HydrophobicContact CD1-CD1 3.76Å; I233-F238 HydrophobicContact CD1-CE1 3.69Å; I233-F238 HydrophobicContact CG1-CD1 3.73Å; I233-F238 HydrophobicContact CG1-CE1 4.05Å; I233-F238 HydrophobicContact CG2-CD1 4.28Å; I233-F238 HydrophobicContact CG2-CE1 4.04Å; I233-F238 HydrophobicContact CG2-CZ 4.37Å; G236-F238 WeakPolarHBondContact O-CD2 3.34Å; G236-F238 WeakPolarHBondContact O-CE2 3.38Å; F238-V409 HydrophobicContact CD2-CG1 3.77Å; F238-V409 HydrophobicContact CE2-CB 4.49Å; F238-V409 HydrophobicContact CE2-CG1 3.78Å; F238-V409 HydrophobicContact CE2-CG2 4.22Å; F238-V410 PolarHBondContact N-O 2.93Å; F238-L411 HydrophobicContact CB-CD2 3.78Å; F238-L411 HydrophobicContact CD2-CD2 4Å; F238-L411 HydrophobicContact CG-CD2 4.07Å; F238-L412 PolarHBondContact O-N 2.78Å
239	E	95.6	Very high	92.6	Very high	80 Å²	80	25.9 Å²	25.9	37%	0.374	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.1	179.6	-177.6	174.8	-178.3	0	0	110.2	L231 T232 V241 L412	L231-E239 CarbonylContact C-O 3.56Å; L231-E239 WeakPolarHBondContact CA-O 3.25Å; L231-E239 WeakPolarHBondContact CB-O 3.26Å; T232-E239 PolarHBondContact N-O 3.18Å; T232-E239 PolarHBondContact O-N 3.05Å; E239-V241 PolarHBondContact O-N 2.94Å; E239-L412 HydrophobicContact CB-CB 4.33Å; E239-L412 HydrophobicContact CB-CD1 4.4Å; E239-L412 HydrophobicContact CG-CB 4.22Å; E239-L412 HydrophobicContact CG-CD1 4.34Å
240	V	96.5	Very high	92.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.9	171	-173.5	0	0	0	0	108.1	L231 L412 V414	L231-V240 HydrophobicContact CD2-CG2 3.68Å; L231-V240 HydrophobicContact CG-CB 4.46Å; L231-V240 HydrophobicContact CG-CG2 4.02Å; V240-L412 PolarHBondContact N-O 2.87Å; V240-V414 HydrophobicContact CB-CG1 4.28Å; V240-V414 HydrophobicContact CB-CG2 4.09Å; V240-V414 HydrophobicContact CG1-CG2 3.62Å; V240-V414 WeakPolarHBondContact O-CG1 3.38Å
241	V	97.1	Very high	92.5	Very high	35 Å²	35	26 Å²	26	21%	0.212	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44.1	179.9	-177.5	0	0	0	0	110.4	L230 T232 E239 A345	L230-V241 HydrophobicContact CD2-CB 3.79Å; L230-V241 HydrophobicContact CD2-CG1 4.38Å; L230-V241 HydrophobicContact CD2-CG2 3.83Å; L230-V241 PolarHBondContact O-N 2.97Å; T232-V241 WeakPolarHBondContact OG1-CG2 2.99Å; E239-V241 PolarHBondContact O-N 2.94Å; V241-A345 HydrophobicContact CB-CB 4.46Å; V241-A345 HydrophobicContact CG1-CB 3.6Å
242	A	95.3	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.5	178.3	0	0	0	0	0	111.2	S229 L230 V341 D344 A345	S229-A242 WeakPolarHBondContact CA-O 3.44Å; L230-A242 PolarHBondContact N-O 3.5Å; L230-A242 PolarHBondContact O-N 3.23Å; A242-V341 HydrophobicContact CB-CB 4.18Å; A242-V341 HydrophobicContact CB-CG1 4.49Å; A242-D344 HydrophobicContact CB-CB 4.06Å; A242-A345 HydrophobicContact CB-CB 4.26Å
243	T	93.9	Very high	92.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148	175.7	-167.3	0	0	0	0	111.6	A170 V228 S229 V414 P416 R434 N435	A170-T243 WeakPolarHBondContact CB-OG1 3.38Å; V228-T243 WeakPolarHBondContact O-CA 3.48Å; V228-T243 PolarHBondContact O-OG1 3.44Å; S229-T243 PolarHBondContact OG-OG1 2.98Å; T243-V414 HydrophobicContact CG2-CG2 3.96Å; T243-P416 HydrophobicContact CG2-CB 3.84Å; T243-R434 PolarHBondContact O-NH2 2.72Å; T243-N435 PolarHBondContact N-OD1 2.9Å
244	N	89.9	Confident	92.7	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.091	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	162.1	177.5	-151.8	-31.6	0	0	0	110.4	V228 P337 K340 V341 R434	V228-N244 PolarHBondContact N-O 3.31Å; V228-N244 PolarHBondContact O-N 3.07Å; V228-N244 VanDerWaalsContact O-O 3.06Å; N244-P337 HydrophobicContact CB-CB 4.08Å; N244-K340 WeakPolarHBondContact ND2-CB 3.45Å; N244-K340 WeakPolarHBondContact ND2-CG 3.07Å; N244-V341 HydrophobicContact CB-CG1 3.5Å; N244-R434 PolarHBondContact ND2-NH2 3.24Å; N244-R434 VanDerWaalsContact ND2-NH2 3.18Å
245	G	89.2	Confident	93	Very high	11 Å²	11	22.7 Å²	22.7	11%	0.113	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-177	-177.2	0	0	0	0	0	114.5	F226	F226-G245 CarbonylContact O-C 3.6Å; F226-G245 WeakPolarHBondContact O-CA 3.49Å
246	D	85.8	Confident	93.4	Very high	34 Å²	34	18.3 Å²	18.3	18%	0.182	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	120.6	171.5	-170.7	-16.2	0	0	0	109	F226 H248 L249 K333	F226-D246 PolarHBondContact N-O 3.34Å; F226-D246 PolarHBondContact O-N 2.93Å; D246-H248 PolarHBondContact O-N 3.45Å; D246-H248 PolarHBondContact OD1-N 2.98Å; D246-L249 HydrophobicContact CB-CB 3.85Å; D246-L249 HydrophobicContact CB-CD2 4.24Å; D246-K333 WeakPolarHBondContact OD2-CE 3.36Å; D246-K333 IonicContact OD2-NZ 3.98Å; D246-K333 PolarHBondContact OD2-NZ 3.31Å
247	T	84.2	Confident	93.9	Very high	26 Å²	26	21.5 Å²	21.5	16%	0.16	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.2	-176.4	52.6	0	0	0	0	113.8	R98 G224	R98-T247 PolarHBondContact NH2-OG1 3.07Å; G224-T247 CarbonylContact O-C 3.22Å; G224-T247 VanDerWaalsContact O-O 3.09Å
248	H	88	Confident	94.2	Very high	37 Å²	37	19 Å²	19	17%	0.171	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	54.5	-179.8	-59.9	71.8	0	0	0	110	T104 D108 D246	T104-H248 WeakPolarHBondContact CB-NE2 3.26Å; D108-H248 IonicContact OD1-CD2 2.72Å; D108-H248 IonicContact OD2-CD2 3.47Å; D108-H248 IonicContact OD2-NE2 2.7Å; D246-H248 PolarHBondContact O-N 3.45Å; D246-H248 PolarHBondContact OD1-N 2.98Å
249	L	93.4	Very high	94.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.097	C	C	.	.			trans	-147.3	104.7	177	179.2	60.8	0	0	0	109.7	G224 T225 F226 D246 D253 F254 L330 K333 T334	G224-L249 PolarHBondContact O-N 3.38Å; T225-L249 CarbonylContact C-O 3.59Å; F226-L249 HydrophobicContact CB-CB 4.07Å; F226-L249 HydrophobicContact CB-CD2 4.12Å; F226-L249 HydrophobicContact CB-CG 4.15Å; F226-L249 WeakPolarHBondContact CB-O 3.42Å; F226-L249 HydrophobicContact CD1-CD2 3.91Å; F226-L249 HydrophobicContact CG-CD2 4.22Å; F226-L249 PolarHBondContact N-O 3.33Å; D246-L249 HydrophobicContact CB-CB 3.85Å; D246-L249 HydrophobicContact CB-CD2 4.24Å; L249-D253 WeakPolarHBondContact CA-OD2 3.48Å; L249-F254 HydrophobicContact CD1-CE1 4.13Å; L249-F254 HydrophobicContact CD1-CZ 4.48Å; L249-L330 HydrophobicContact CD1-CB 3.88Å; L249-L330 HydrophobicContact CD1-CD2 4.14Å; L249-L330 HydrophobicContact CD1-CG 4.44Å; L249-K333 HydrophobicContact CD2-CB 4.46Å; L249-K333 HydrophobicContact CD2-CD 4.41Å; L249-T334 HydrophobicContact CD2-CG2 3.91Å
250	G	95.8	Very high	94.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-170.1	-163.2	177.4	0	0	0	0	0	114.1	G222 G223 E252 D253 F254	G222-G250 WeakPolarHBondContact O-CA 3.32Å; G223-G250 CarbonylContact O-C 3.55Å; G250-E252 VanDerWaalsContact C-N 3.28Å; G250-E252 PolarHBondContact O-N 3.28Å; G250-D253 PolarHBondContact N-OD2 3.26Å; G250-D253 PolarHBondContact O-N 3.17Å; G250-D253 VanDerWaalsContact O-N 3.13Å; G250-F254 WeakPolarHBondContact O-CD2 3.27Å; G250-F254 WeakPolarHBondContact O-CG 3.47Å; G250-F254 PolarHBondContact O-N 3.08Å
251	G	97.2	Very high	94.5	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-53.8	-37.6	-177	0	0	0	0	0	115.1	G222 G223 F254 D255 K292 S361	G222-G251 PolarHBondContact O-N 3.28Å; G223-G251 PolarHBondContact O-N 3.44Å; G251-F254 PolarHBondContact O-N 3.15Å; G251-D255 VanDerWaalsContact O-CG 3.28Å; G251-D255 PolarHBondContact O-N 3.24Å; G251-K292 PolarHBondContact O-NZ 2.81Å; G251-S361 VanDerWaalsContact CA-OG 3.26Å; G251-S361 WeakPolarHBondContact CA-OG 3.14Å; G251-S361 PolarHBondContact N-OG 3.41Å
252	E	96.1	Very high	94.5	Very high	11 Å²	11	19.3 Å²	19.3	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-69.6	-36	179.4	-70.3	-61.2	143.4	0	0	112	T35 D91 G223 G250 F254 D255 Q256 R285	T35-E252 WeakPolarHBondContact CG2-OE1 3.39Å; D91-E252 WeakPolarHBondContact OD2-CG 3.23Å; G223-E252 WeakPolarHBondContact O-CB 3.25Å; G223-E252 PolarHBondContact O-N 3.45Å; G250-E252 VanDerWaalsContact C-N 3.28Å; G250-E252 PolarHBondContact O-N 3.28Å; E252-F254 VanDerWaalsContact C-N 3.29Å; E252-F254 PolarHBondContact O-N 3.08Å; E252-D255 PolarHBondContact O-N 2.78Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 PolarHBondContact O-N 3.33Å; E252-R285 IonicContact OE2-NH1 2.83Å; E252-R285 PolarHBondContact OE2-NH1 2.74Å
253	D	97.1	Very high	94.6	Very high	37 Å²	37	19.5 Å²	19.5	20%	0.198	10%	0.097	C	C	.	.	H	α-helix	trans	-67.2	-36.3	176.4	-52.3	-76.3	0	0	0	110.1	R94 L249 G250 Q256 R257 L330	R94-D253 IonicContact CZ-OD2 3.02Å; R94-D253 IonicContact NH1-OD1 2.67Å; R94-D253 IonicContact NH2-OD1 2.68Å; R94-D253 PolarHBondContact NH2-OD1 2.96Å; R94-D253 IonicContact NH2-OD2 3.66Å; R94-D253 PolarHBondContact NH2-OD2 2.89Å; L249-D253 WeakPolarHBondContact CA-OD2 3.48Å; G250-D253 PolarHBondContact N-OD2 3.26Å; G250-D253 PolarHBondContact O-N 3.17Å; G250-D253 VanDerWaalsContact O-N 3.13Å; D253-Q256 PolarHBondContact O-N 3.19Å; D253-R257 WeakPolarHBondContact O-CG 3.4Å; D253-R257 PolarHBondContact O-N 3.43Å; D253-L330 HydrophobicContact CB-CD1 4.28Å
254	F	98.2	Very high	94.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.3	-39.8	174.2	-49.6	-31.5	0	0	0	112.5	L221 L249 G250 G251 E252 V258 F323 N327 L330 F331 I364	L221-F254 HydrophobicContact CD2-CE2 4.2Å; L221-F254 HydrophobicContact CD2-CZ 4.26Å; L249-F254 HydrophobicContact CD1-CE1 4.13Å; L249-F254 HydrophobicContact CD1-CZ 4.48Å; G250-F254 WeakPolarHBondContact O-CD2 3.27Å; G250-F254 WeakPolarHBondContact O-CG 3.47Å; G250-F254 PolarHBondContact O-N 3.08Å; G251-F254 PolarHBondContact O-N 3.15Å; E252-F254 VanDerWaalsContact C-N 3.29Å; E252-F254 PolarHBondContact O-N 3.08Å; F254-V258 WeakPolarHBondContact O-CG2 3.49Å; F254-V258 PolarHBondContact O-N 3.29Å; F254-F323 HydrophobicContact CB-CE2 4.15Å; F254-F323 HydrophobicContact CB-CZ 4.1Å; F254-N327 WeakPolarHBondContact CA-OD1 3.49Å; F254-N327 HydrophobicContact CD1-CB 4.32Å; F254-L330 HydrophobicContact CD1-CB 4.28Å; F254-L330 HydrophobicContact CD1-CD1 3.87Å; F254-L330 HydrophobicContact CE1-CB 3.76Å; F254-L330 HydrophobicContact CE1-CD1 4.05Å; F254-F331 HydrophobicContact CD1-CD1 4.46Å; F254-F331 AromaticContact CD1-CE1 3.87Å; F254-F331 HydrophobicContact CD1-CE1 3.87Å; F254-F331 HydrophobicContact CD2-CE1 4.02Å; F254-F331 AromaticContact CE1-CD1 3.91Å; F254-F331 HydrophobicContact CE1-CD1 3.91Å; F254-F331 AromaticContact CE1-CE1 3.71Å; F254-F331 HydrophobicContact CE1-CE1 3.71Å; F254-F331 HydrophobicContact CE2-CD1 4.43Å; F254-F331 AromaticContact CE2-CE1 3.86Å; F254-F331 HydrophobicContact CE2-CE1 3.86Å; F254-F331 HydrophobicContact CG-CE1 4.05Å; F254-F331 AromaticContact CZ-CD1 3.9Å; F254-F331 HydrophobicContact CZ-CD1 3.9Å; F254-F331 AromaticContact CZ-CE1 3.71Å; F254-F331 HydrophobicContact CZ-CE1 3.71Å; F254-I364 HydrophobicContact CD2-CD1 3.61Å; F254-I364 HydrophobicContact CE2-CD1 3.76Å
255	D	97.6	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-43.4	175.4	-69.6	-22.1	0	0	0	110.5	G251 E252 R257 V258 I259 V288 K292	G251-D255 VanDerWaalsContact O-CG 3.28Å; G251-D255 PolarHBondContact O-N 3.24Å; E252-D255 PolarHBondContact O-N 2.78Å; D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact O-N 3.04Å; D255-V258 PolarHBondContact O-N 3.02Å; D255-I259 VanDerWaalsContact O-CG1 3.3Å; D255-I259 WeakPolarHBondContact O-CG1 3.17Å; D255-I259 PolarHBondContact O-N 3.24Å; D255-V288 HydrophobicContact CB-CG1 4.12Å; D255-K292 WeakPolarHBondContact OD1-CD 3.37Å; D255-K292 WeakPolarHBondContact OD1-CE 3.38Å; D255-K292 IonicContact OD1-NZ 2.79Å; D255-K292 PolarHBondContact OD1-NZ 3.49Å; D255-K292 IonicContact OD2-NZ 2.96Å; D255-K292 PolarHBondContact OD2-NZ 3.44Å
256	Q	97	Very high	95.3	Very high	23 Å²	23	25.7 Å²	25.7	11%	0.107	12%	0.122	C	C	.	.	H	α-helix	trans	-59.6	-40.6	179.9	-170.4	53.7	50.8	0	0	112	H111 E252 D253 V258 I259 D260	H111-Q256 VanDerWaalsContact ND1-CD 3.33Å; H111-Q256 PolarHBondContact ND1-NE2 2.93Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 PolarHBondContact O-N 3.33Å; D253-Q256 PolarHBondContact O-N 3.19Å; Q256-V258 VanDerWaalsContact C-N 3.3Å; Q256-V258 PolarHBondContact O-N 3.37Å; Q256-I259 PolarHBondContact O-N 3.27Å; Q256-D260 PolarHBondContact NE2-OD1 3.13Å; Q256-D260 PolarHBondContact NE2-OD2 3.25Å; Q256-D260 VanDerWaalsContact NE2-OD2 3.12Å; Q256-D260 WeakPolarHBondContact O-CB 3.44Å; Q256-D260 PolarHBondContact O-N 3.38Å
257	R	97.7	Very high	95.7	Very high	84 Å²	84	28 Å²	28	32%	0.317	13%	0.134	S	C	.	.	H	α-helix	trans	-60.1	-38.2	174.1	-67	-67.6	-170.7	85.4	-1.6	112.9	D253 D255 H261 L326 N327 D329 L330	D253-R257 WeakPolarHBondContact O-CG 3.4Å; D253-R257 PolarHBondContact O-N 3.43Å; D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact O-N 3.04Å; R257-H261 WeakPolarHBondContact O-CB 2.84Å; R257-H261 PolarHBondContact O-N 3.34Å; R257-H261 VanDerWaalsContact O-N 3.08Å; R257-L326 PolarHBondContact NH1-O 3.21Å; R257-N327 WeakPolarHBondContact CB-OD1 2.98Å; R257-N327 VanDerWaalsContact CG-OD1 3.28Å; R257-N327 WeakPolarHBondContact CG-OD1 3.35Å; R257-D329 IonicContact CZ-OD1 3.24Å; R257-D329 IonicContact CZ-OD2 2.67Å; R257-D329 IonicContact NH1-OD1 2.97Å; R257-D329 PolarHBondContact NH1-OD1 3.39Å; R257-D329 IonicContact NH1-OD2 2.7Å; R257-D329 PolarHBondContact NH1-OD2 3.18Å; R257-D329 IonicContact NH2-OD1 3.06Å; R257-D329 IonicContact NH2-OD2 3.42Å; R257-D329 PolarHBondContact NH2-OD2 3.24Å; R257-L330 HydrophobicContact CG-CD1 4.21Å
258	V	98.2	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.6	-40	178.3	-179.3	0	0	0	0	111.1	F254 D255 Q256 D260 H261 F262 V288 L318 F323 L326	F254-V258 WeakPolarHBondContact O-CG2 3.49Å; F254-V258 PolarHBondContact O-N 3.29Å; D255-V258 PolarHBondContact O-N 3.02Å; Q256-V258 VanDerWaalsContact C-N 3.3Å; Q256-V258 PolarHBondContact O-N 3.37Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.47Å; V258-H261 WeakPolarHBondContact O-CB 3.38Å; V258-H261 PolarHBondContact O-N 2.8Å; V258-F262 HydrophobicContact CG1-CD2 3.79Å; V258-F262 HydrophobicContact CG1-CE2 3.56Å; V258-F262 HydrophobicContact CG1-CZ 4.32Å; V258-F262 PolarHBondContact O-N 3.27Å; V258-V288 HydrophobicContact CB-CG1 3.69Å; V258-V288 HydrophobicContact CG1-CB 4.44Å; V258-V288 HydrophobicContact CG1-CG1 3.72Å; V258-V288 HydrophobicContact CG1-CG2 3.87Å; V258-L318 HydrophobicContact CG1-CD1 4.28Å; V258-L318 HydrophobicContact CG1-CD2 3.95Å; V258-F323 HydrophobicContact CG2-CD2 3.68Å; V258-F323 HydrophobicContact CG2-CE2 4.07Å; V258-L326 HydrophobicContact CG2-CD1 4.18Å
259	I	97.7	Very high	96.5	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-47.4	173.6	-68.8	164.7	0	0	0	109.9	D255 Q256 H261 F262 A263 L284 R285 V288	D255-I259 VanDerWaalsContact O-CG1 3.3Å; D255-I259 WeakPolarHBondContact O-CG1 3.17Å; D255-I259 PolarHBondContact O-N 3.24Å; Q256-I259 PolarHBondContact O-N 3.27Å; I259-H261 VanDerWaalsContact C-N 3.35Å; I259-H261 PolarHBondContact O-N 2.9Å; I259-F262 PolarHBondContact O-N 3.42Å; I259-A263 VanDerWaalsContact O-CB 3.28Å; I259-A263 WeakPolarHBondContact O-CB 3.41Å; I259-A263 PolarHBondContact O-N 3.46Å; I259-L284 HydrophobicContact CG2-CD2 4.18Å; I259-R285 HydrophobicContact CD1-CB 3.74Å; I259-R285 HydrophobicContact CD1-CG 3.89Å; I259-V288 HydrophobicContact CG1-CB 4.28Å; I259-V288 HydrophobicContact CG1-CG1 4.23Å; I259-V288 HydrophobicContact CG1-CG2 4.14Å
260	D	97.2	Very high	96.3	Very high	49 Å²	49	40.5 Å²	40.5	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-39.4	178.2	-76.3	-40.8	0	0	0	112.5	Q256 V258 K264 K275	Q256-D260 PolarHBondContact NE2-OD1 3.13Å; Q256-D260 PolarHBondContact NE2-OD2 3.25Å; Q256-D260 VanDerWaalsContact NE2-OD2 3.12Å; Q256-D260 WeakPolarHBondContact O-CB 3.44Å; Q256-D260 PolarHBondContact O-N 3.38Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.47Å; D260-K264 WeakPolarHBondContact O-CB 3.41Å; D260-K264 PolarHBondContact O-N 3.04Å; D260-K275 WeakPolarHBondContact OD1-CE 3.3Å; D260-K275 IonicContact OD1-NZ 3.76Å; D260-K275 PolarHBondContact OD1-NZ 3.4Å
261	H	97.8	Very high	96.1	Very high	65 Å²	65	43.3 Å²	43.3	30%	0.301	22%	0.217	S	C	.	.	H	α-helix	trans	-59.9	-48.3	174.1	176.6	64.5	0	0	0	111.8	R257 V258 I259 K264 L265 L326	R257-H261 WeakPolarHBondContact O-CB 2.84Å; R257-H261 PolarHBondContact O-N 3.34Å; R257-H261 VanDerWaalsContact O-N 3.08Å; V258-H261 WeakPolarHBondContact O-CB 3.38Å; V258-H261 PolarHBondContact O-N 2.8Å; I259-H261 VanDerWaalsContact C-N 3.35Å; I259-H261 PolarHBondContact O-N 2.9Å; H261-K264 PolarHBondContact O-N 3.46Å; H261-L265 PolarHBondContact O-N 3.22Å; H261-L326 HydrophobicContact CB-CD1 3.83Å; H261-L326 HydrophobicContact CB-CD2 4.04Å
262	F	97.9	Very high	95.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-72.3	-36.4	179.1	-72.4	-34.2	0	0	0	113.2	V258 I259 K264 L265 I266 L284 V288 V303 F314 E316 L318	V258-F262 HydrophobicContact CG1-CD2 3.79Å; V258-F262 HydrophobicContact CG1-CE2 3.56Å; V258-F262 HydrophobicContact CG1-CZ 4.32Å; V258-F262 PolarHBondContact O-N 3.27Å; I259-F262 PolarHBondContact O-N 3.42Å; F262-K264 VanDerWaalsContact C-N 3.28Å; F262-K264 PolarHBondContact O-N 3.35Å; F262-L265 HydrophobicContact CD1-CD2 4.22Å; F262-L265 WeakPolarHBondContact O-CB 3.28Å; F262-L265 PolarHBondContact O-N 2.79Å; F262-L265 VanDerWaalsContact O-N 3.15Å; F262-I266 WeakPolarHBondContact O-CD1 3.29Å; F262-I266 VanDerWaalsContact O-CG1 3.22Å; F262-I266 WeakPolarHBondContact O-CG1 3.4Å; F262-I266 PolarHBondContact O-N 2.92Å; F262-L284 HydrophobicContact CB-CD1 4.23Å; F262-L284 HydrophobicContact CB-CD2 3.96Å; F262-L284 HydrophobicContact CD2-CD1 4Å; F262-V288 HydrophobicContact CD2-CG2 3.9Å; F262-V288 HydrophobicContact CE2-CG2 4.13Å; F262-V303 HydrophobicContact CE2-CB 4.28Å; F262-V303 HydrophobicContact CE2-CG1 4.46Å; F262-V303 HydrophobicContact CE2-CG2 3.89Å; F262-V303 HydrophobicContact CZ-CG2 4.31Å; F262-F314 HydrophobicContact CB-CZ 3.95Å; F262-F314 AromaticContact CD1-CZ 3.84Å; F262-F314 HydrophobicContact CD1-CZ 3.84Å; F262-F314 HydrophobicContact CD2-CE1 4.39Å; F262-F314 HydrophobicContact CD2-CZ 4.36Å; F262-F314 HydrophobicContact CE1-CZ 4.4Å; F262-F314 HydrophobicContact CG-CE1 4.28Å; F262-F314 AromaticContact CG-CZ 3.81Å; F262-F314 HydrophobicContact CG-CZ 3.81Å; F262-E316 HydrophobicContact CE1-CB 3.97Å; F262-E316 HydrophobicContact CZ-CB 4.42Å; F262-L318 HydrophobicContact CZ-CB 4.1Å; F262-L318 HydrophobicContact CZ-CD1 3.95Å; F262-L318 HydrophobicContact CZ-CG 4.44Å
263	A	96.4	Very high	95.7	Very high	3 Å²	3	48 Å²	48	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-43.5	173.4	0	0	0	0	0	111.1	I259 I266 L267 I274 K275	I259-A263 VanDerWaalsContact O-CB 3.28Å; I259-A263 WeakPolarHBondContact O-CB 3.41Å; I259-A263 PolarHBondContact O-N 3.46Å; A263-I266 PolarHBondContact O-N 2.68Å; A263-L267 WeakPolarHBondContact O-CB 3.42Å; A263-L267 PolarHBondContact O-N 2.81Å; A263-I274 HydrophobicContact CB-CD1 3.95Å; A263-I274 HydrophobicContact CB-CG1 3.85Å; A263-K275 HydrophobicContact CB-CG 4.25Å
264	K	96.9	Very high	95.6	Very high	126 Å²	126	46.2 Å²	46.2	55%	0.548	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-44.9	173.7	-179.8	175.7	173	176.4	0	111.9	D260 H261 F262 I266 L267 E268	D260-K264 WeakPolarHBondContact O-CB 3.41Å; D260-K264 PolarHBondContact O-N 3.04Å; H261-K264 PolarHBondContact O-N 3.46Å; F262-K264 VanDerWaalsContact C-N 3.28Å; F262-K264 PolarHBondContact O-N 3.35Å; K264-I266 VanDerWaalsContact C-N 3.32Å; K264-I266 PolarHBondContact O-N 2.88Å; K264-L267 PolarHBondContact O-N 3.24Å; K264-E268 WeakPolarHBondContact CE-OE1 3.46Å; K264-E268 HydrophobicContact CG-CG 4.49Å; K264-E268 IonicContact NZ-OE1 3.28Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.93Å
265	L	95.3	Very high	95.3	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-40.1	178.8	-168.9	66.3	0	0	0	112.3	H261 F262 E268 K269 E316	H261-L265 PolarHBondContact O-N 3.22Å; F262-L265 HydrophobicContact CD1-CD2 4.22Å; F262-L265 WeakPolarHBondContact O-CB 3.28Å; F262-L265 PolarHBondContact O-N 2.79Å; F262-L265 VanDerWaalsContact O-N 3.15Å; L265-E268 PolarHBondContact O-N 2.96Å; L265-K269 HydrophobicContact CD1-CD 4.19Å; L265-K269 HydrophobicContact CD1-CG 4.37Å; L265-K269 HydrophobicContact CG-CD 4.07Å; L265-K269 HydrophobicContact CG-CG 4.46Å; L265-K269 WeakPolarHBondContact O-CB 3.47Å; L265-K269 WeakPolarHBondContact O-CG 3.32Å; L265-K269 PolarHBondContact O-N 2.61Å; L265-E316 HydrophobicContact CD2-CG 3.83Å
266	I	95.2	Very high	95	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-44.2	176.3	-67.2	159.3	0	0	0	110.3	F262 A263 K264 E268 K269 K270 I274 L308 F314	F262-I266 WeakPolarHBondContact O-CD1 3.29Å; F262-I266 VanDerWaalsContact O-CG1 3.22Å; F262-I266 WeakPolarHBondContact O-CG1 3.4Å; F262-I266 PolarHBondContact O-N 2.92Å; A263-I266 PolarHBondContact O-N 2.68Å; K264-I266 VanDerWaalsContact C-N 3.32Å; K264-I266 PolarHBondContact O-N 2.88Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 3Å; I266-K269 PolarHBondContact O-N 2.65Å; I266-K270 HydrophobicContact CG2-CD 4.18Å; I266-K270 WeakPolarHBondContact O-CA 3.38Å; I266-K270 VanDerWaalsContact O-CB 3.32Å; I266-K270 WeakPolarHBondContact O-CB 3.4Å; I266-K270 PolarHBondContact O-N 3.42Å; I266-I274 HydrophobicContact CD1-CD1 3.83Å; I266-I274 HydrophobicContact CD1-CG1 4.39Å; I266-I274 HydrophobicContact CD1-CG2 4.09Å; I266-I274 HydrophobicContact CG2-CG2 3.81Å; I266-L308 HydrophobicContact CD1-CD2 3.53Å; I266-F314 HydrophobicContact CD1-CD2 3.75Å; I266-F314 HydrophobicContact CD1-CE2 3.7Å; I266-F314 HydrophobicContact CD1-CG 4.32Å; I266-F314 HydrophobicContact CD1-CZ 4.23Å; I266-F314 HydrophobicContact CG1-CD2 3.54Å; I266-F314 HydrophobicContact CG1-CE2 3.39Å; I266-F314 HydrophobicContact CG1-CZ 4.31Å
267	L	95.1	Very high	94.8	Very high	84 Å²	84	59.1 Å²	59.1	44%	0.44	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.7	-177.5	62	0	0	0	111.7	A263 K264 G271 K272 D273	A263-L267 WeakPolarHBondContact O-CB 3.42Å; A263-L267 PolarHBondContact O-N 2.81Å; K264-L267 PolarHBondContact O-N 3.24Å; L267-G271 WeakPolarHBondContact O-CA 3.44Å; L267-G271 PolarHBondContact O-N 2.84Å; L267-K272 WeakPolarHBondContact CA-O 3.43Å; L267-K272 PolarHBondContact N-O 3.42Å; L267-D273 HydrophobicContact CD1-CB 4.21Å
268	E	95	Very high	94.6	Very high	129 Å²	129	59.2 Å²	59.2	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-69.8	-43.9	179.1	-72.7	174	177.3	0	0	113.1	K264 L265 I266	K264-E268 WeakPolarHBondContact CE-OE1 3.46Å; K264-E268 HydrophobicContact CG-CG 4.49Å; K264-E268 IonicContact NZ-OE1 3.28Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.93Å; L265-E268 PolarHBondContact O-N 2.96Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 3Å
269	K	92.9	Very high	94.5	Very high	124 Å²	124	65.8 Å²	65.8	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-81.1	-34.5	-175.9	-70.8	-174.8	179	177.8	0	113.5	L265 I266 E316	L265-K269 HydrophobicContact CD1-CD 4.19Å; L265-K269 HydrophobicContact CD1-CG 4.37Å; L265-K269 HydrophobicContact CG-CD 4.07Å; L265-K269 HydrophobicContact CG-CG 4.46Å; L265-K269 WeakPolarHBondContact O-CB 3.47Å; L265-K269 WeakPolarHBondContact O-CG 3.32Å; L265-K269 PolarHBondContact O-N 2.61Å; I266-K269 PolarHBondContact O-N 2.65Å; K269-E316 IonicContact NZ-OE1 2.76Å; K269-E316 PolarHBondContact NZ-OE1 2.93Å; K269-E316 IonicContact NZ-OE2 3.23Å; K269-E316 PolarHBondContact NZ-OE2 3.39Å
270	K	90	Very high	94.4	Very high	72 Å²	72	65.6 Å²	65.6	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-118.3	-10.1	-170.2	-61	175.5	162.8	-138.3	0	113.6	I266 K272 E312 D313	I266-K270 HydrophobicContact CG2-CD 4.18Å; I266-K270 WeakPolarHBondContact O-CA 3.38Å; I266-K270 VanDerWaalsContact O-CB 3.32Å; I266-K270 WeakPolarHBondContact O-CB 3.4Å; I266-K270 PolarHBondContact O-N 3.42Å; K270-K272 PolarHBondContact O-N 2.94Å; K270-E312 VanDerWaalsContact CD-OE2 3.25Å; K270-E312 WeakPolarHBondContact CD-OE2 3.35Å; K270-E312 WeakPolarHBondContact CE-OE2 3.36Å; K270-E312 IonicContact NZ-OE2 3.71Å; K270-E312 PolarHBondContact NZ-OE2 2.7Å; K270-D313 PolarHBondContact NZ-O 2.7Å
271	G	92.1	Very high	94.4	Very high	60 Å²	60	64.3 Å²	64.3	62%	0.619	32%	0.319	S	S	*	.	S	Bend	trans	69.7	16.4	-177.1	0	0	0	0	0	113.9	L267	L267-G271 WeakPolarHBondContact O-CA 3.44Å; L267-G271 PolarHBondContact O-N 2.84Å
272	K	91.7	Very high	94.3	Very high	45 Å²	45	61.4 Å²	61.4	20%	0.196	31%	0.305	C	S	.	.			trans	-114.3	124.8	-175.6	-67.4	-175.9	175.4	-178.8	0	110.9	L267 K270 I274 I309 D310 E312	L267-K272 WeakPolarHBondContact CA-O 3.43Å; L267-K272 PolarHBondContact N-O 3.42Å; K270-K272 PolarHBondContact O-N 2.94Å; K272-I274 PolarHBondContact O-N 3.15Å; K272-I309 HydrophobicContact CB-CD1 4.32Å; K272-I309 HydrophobicContact CB-CG2 4.25Å; K272-I309 HydrophobicContact CD-CG1 4.39Å; K272-I309 HydrophobicContact CD-CG2 3.83Å; K272-D310 WeakPolarHBondContact CE-OD2 3.4Å; K272-D310 IonicContact NZ-OD2 2.96Å; K272-D310 PolarHBondContact NZ-OD2 3.34Å; K272-E312 VanDerWaalsContact CE-OE1 3.26Å; K272-E312 WeakPolarHBondContact CE-OE1 3.46Å; K272-E312 IonicContact NZ-OE1 3.61Å; K272-E312 PolarHBondContact NZ-OE1 2.92Å
273	D	93.5	Very high	94.2	Very high	66 Å²	66	62.5 Å²	62.5	35%	0.353	31%	0.31	S	S	.	.			trans	-86.4	109.8	172.1	-172.9	0.3	0	0	0	109.6	L267 K275 V276	L267-D273 HydrophobicContact CD1-CB 4.21Å; D273-K275 VanDerWaalsContact C-N 3.26Å; D273-K275 PolarHBondContact O-N 3.4Å; D273-K275 VanDerWaalsContact OD1-CB 3.23Å; D273-K275 WeakPolarHBondContact OD1-CB 3.35Å; D273-K275 WeakPolarHBondContact OD1-CG 3.38Å; D273-K275 PolarHBondContact OD1-N 3.12Å; D273-V276 HydrophobicContact CB-CG1 4.49Å; D273-V276 WeakPolarHBondContact O-CG2 3.4Å
274	I	94.3	Very high	94.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-74.1	-18.3	176.9	61	160.8	0	0	0	112.7	A263 I266 K272 V276 N277 A280 V281 L284 L308 I309	A263-I274 HydrophobicContact CB-CD1 3.95Å; A263-I274 HydrophobicContact CB-CG1 3.85Å; I266-I274 HydrophobicContact CD1-CD1 3.83Å; I266-I274 HydrophobicContact CD1-CG1 4.39Å; I266-I274 HydrophobicContact CD1-CG2 4.09Å; I266-I274 HydrophobicContact CG2-CG2 3.81Å; K272-I274 PolarHBondContact O-N 3.15Å; I274-V276 PolarHBondContact O-N 3.4Å; I274-N277 PolarHBondContact O-N 3.2Å; I274-A280 HydrophobicContact CB-CB 4.22Å; I274-A280 HydrophobicContact CG2-CB 4.5Å; I274-V281 WeakPolarHBondContact O-CG2 3.34Å; I274-L284 HydrophobicContact CD1-CD2 3.38Å; I274-L308 HydrophobicContact CG2-CD2 4.3Å; I274-L308 HydrophobicContact CG2-CG 4.46Å; I274-I309 HydrophobicContact CG2-CB 4.26Å; I274-I309 HydrophobicContact CG2-CD1 4Å; I274-I309 HydrophobicContact CG2-CG2 4.03Å
275	K	91.9	Very high	94.3	Very high	116 Å²	116	57 Å²	57	50%	0.504	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.9	-23.3	-175.2	-63.8	-173	171.1	-161.8	0	112.6	D260 A263 D273 N277	D260-K275 WeakPolarHBondContact OD1-CE 3.3Å; D260-K275 IonicContact OD1-NZ 3.76Å; D260-K275 PolarHBondContact OD1-NZ 3.4Å; A263-K275 HydrophobicContact CB-CG 4.25Å; D273-K275 VanDerWaalsContact C-N 3.26Å; D273-K275 PolarHBondContact O-N 3.4Å; D273-K275 VanDerWaalsContact OD1-CB 3.23Å; D273-K275 WeakPolarHBondContact OD1-CB 3.35Å; D273-K275 WeakPolarHBondContact OD1-CG 3.38Å; D273-K275 PolarHBondContact OD1-N 3.12Å; K275-N277 PolarHBondContact O-N 3.2Å
276	V	90.8	Very high	94.3	Very high	120 Å²	120	60.1 Å²	60.1	73%	0.727	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-75.8	-12.2	175.3	-49.6	0	0	0	0	113	D273 I274	D273-V276 HydrophobicContact CB-CG1 4.49Å; D273-V276 WeakPolarHBondContact O-CG2 3.4Å; I274-V276 PolarHBondContact O-N 3.4Å
277	N	93.4	Very high	94.4	Very high	58 Å²	58	61.2 Å²	61.2	31%	0.31	30%	0.3	S	S	.	.			trans	-116.9	100.9	-178.1	-174.5	-36.6	0	0	0	110.6	I274 K275 R279 A280 V281	I274-N277 PolarHBondContact O-N 3.2Å; K275-N277 PolarHBondContact O-N 3.2Å; N277-R279 VanDerWaalsContact C-N 3.27Å; N277-R279 PolarHBondContact O-N 3.05Å; N277-R279 WeakPolarHBondContact OD1-CB 3.15Å; N277-R279 PolarHBondContact OD1-N 3.15Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; N277-A280 HydrophobicContact CB-CB 3.89Å; N277-A280 WeakPolarHBondContact O-CB 3.14Å; N277-A280 PolarHBondContact O-N 2.96Å; N277-A280 PolarHBondContact OD1-N 3.11Å; N277-V281 PolarHBondContact O-N 3.01Å
278	K	94.3	Very high	94.6	Very high	86 Å²	86	57.3 Å²	57.3	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-55	-41	-178.2	-69.2	174	172.4	-171.8	0	112.8	P85 E86 P113 V281 Q282	P85-K278 HydrophobicContact CB-CB 4.45Å; P85-K278 HydrophobicContact CG-CB 4.18Å; E86-K278 HydrophobicContact CG-CD 3.79Å; E86-K278 WeakPolarHBondContact OE1-CD 3.18Å; P113-K278 HydrophobicContact CB-CB 4.43Å; P113-K278 HydrophobicContact CB-CD 4.48Å; P113-K278 WeakPolarHBondContact O-CD 3.26Å; P113-K278 WeakPolarHBondContact O-CE 3.21Å; P113-K278 PolarHBondContact O-NZ 2.93Å; K278-V281 PolarHBondContact O-N 3.26Å; K278-Q282 VanDerWaalsContact O-CG 3.31Å; K278-Q282 WeakPolarHBondContact O-CG 3.49Å; K278-Q282 PolarHBondContact O-N 3.14Å
279	R	95.1	Very high	94.7	Very high	138 Å²	138	52.1 Å²	52.1	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-44.1	176.1	169.4	165.3	-167.2	-156.5	2.4	112.1	T82 P85 N277 Q282 K283	T82-R279 WeakPolarHBondContact O-CD 3.47Å; T82-R279 WeakPolarHBondContact O-CG 3.38Å; T82-R279 PolarHBondContact O-NE 3.43Å; P85-R279 HydrophobicContact CG-CB 4.46Å; N277-R279 VanDerWaalsContact C-N 3.27Å; N277-R279 PolarHBondContact O-N 3.05Å; N277-R279 WeakPolarHBondContact OD1-CB 3.15Å; N277-R279 PolarHBondContact OD1-N 3.15Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; R279-Q282 PolarHBondContact O-N 3.09Å; R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.17Å
280	A	95.9	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-45	176.8	0	0	0	0	0	111.3	I274 N277 Q282 K283 L284 L308	I274-A280 HydrophobicContact CB-CB 4.22Å; I274-A280 HydrophobicContact CG2-CB 4.5Å; N277-A280 HydrophobicContact CB-CB 3.89Å; N277-A280 WeakPolarHBondContact O-CB 3.14Å; N277-A280 PolarHBondContact O-N 2.96Å; N277-A280 PolarHBondContact OD1-N 3.11Å; A280-Q282 VanDerWaalsContact C-N 3.34Å; A280-Q282 PolarHBondContact O-N 2.85Å; A280-K283 PolarHBondContact O-N 3.11Å; A280-L284 PolarHBondContact O-N 3.31Å; A280-L308 HydrophobicContact CB-CD1 4.03Å; A280-L308 HydrophobicContact CB-CG 4.47Å; A280-L308 VanDerWaalsContact CB-O 3.24Å; A280-L308 WeakPolarHBondContact CB-O 3.17Å; A280-L308 VanDerWaalsContact O-CD1 3.3Å; A280-L308 WeakPolarHBondContact O-CD1 3.42Å
281	V	96.6	Very high	95.2	Very high	23 Å²	23	48.2 Å²	48.2	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-43.8	176	177.1	0	0	0	0	111.4	I274 N277 K278 L284 R285	I274-V281 WeakPolarHBondContact O-CG2 3.34Å; N277-V281 PolarHBondContact O-N 3.01Å; K278-V281 PolarHBondContact O-N 3.26Å; V281-L284 PolarHBondContact O-N 3.14Å; V281-R285 PolarHBondContact O-N 3.36Å
282	Q	96.4	Very high	95.5	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-35.7	-179.8	-66.4	-29.4	-61	0	0	113.3	L81 T82 P85 P113 K278 R279 A280 L284 R285 R286	L81-Q282 HydrophobicContact CD1-CG 4Å; L81-Q282 HydrophobicContact CD2-CB 4.32Å; L81-Q282 HydrophobicContact CG-CB 4Å; L81-Q282 HydrophobicContact CG-CG 4.01Å; T82-Q282 HydrophobicContact CG2-CB 4.43Å; P85-Q282 HydrophobicContact CB-CB 4.43Å; P85-Q282 HydrophobicContact CB-CG 3.55Å; P113-Q282 HydrophobicContact CB-CG 4.29Å; P113-Q282 HydrophobicContact CG-CG 4.31Å; K278-Q282 VanDerWaalsContact O-CG 3.31Å; K278-Q282 WeakPolarHBondContact O-CG 3.49Å; K278-Q282 PolarHBondContact O-N 3.14Å; R279-Q282 PolarHBondContact O-N 3.09Å; A280-Q282 VanDerWaalsContact C-N 3.34Å; A280-Q282 PolarHBondContact O-N 2.85Å; Q282-L284 VanDerWaalsContact C-N 3.28Å; Q282-L284 PolarHBondContact O-N 3.23Å; Q282-R285 PolarHBondContact O-N 3.27Å; Q282-R286 PolarHBondContact O-N 2.96Å; Q282-R286 VanDerWaalsContact O-N 3.08Å
283	K	96.5	Very high	95.7	Very high	28 Å²	28	49.8 Å²	49.8	12%	0.122	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-45.3	169.6	-75.1	-178	171.2	-166.5	0	110.6	T82 R279 A280 E287 I305 E306 S307 L308	T82-K283 HydrophobicContact CG2-CB 4.47Å; T82-K283 HydrophobicContact CG2-CG 3.95Å; R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.17Å; A280-K283 PolarHBondContact O-N 3.11Å; K283-E287 PolarHBondContact O-N 3.42Å; K283-I305 HydrophobicContact CB-CG2 3.87Å; K283-I305 HydrophobicContact CD-CG2 3.85Å; K283-I305 HydrophobicContact CG-CG2 4.4Å; K283-E306 PolarHBondContact NZ-O 3.25Å; K283-S307 PolarHBondContact NZ-O 3.24Å; K283-L308 HydrophobicContact CB-CD1 4.16Å
284	L	97.5	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-46.6	178.5	-175.9	61.1	0	0	0	112.3	I259 F262 I274 A280 V281 Q282 R286 E287 V288 V303 I305 F314	I259-L284 HydrophobicContact CG2-CD2 4.18Å; F262-L284 HydrophobicContact CB-CD1 4.23Å; F262-L284 HydrophobicContact CB-CD2 3.96Å; F262-L284 HydrophobicContact CD2-CD1 4Å; I274-L284 HydrophobicContact CD1-CD2 3.38Å; A280-L284 PolarHBondContact O-N 3.31Å; V281-L284 PolarHBondContact O-N 3.14Å; Q282-L284 VanDerWaalsContact C-N 3.28Å; Q282-L284 PolarHBondContact O-N 3.23Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.2Å; L284-E287 PolarHBondContact O-N 3.39Å; L284-V288 HydrophobicContact CD1-CG2 3.89Å; L284-V288 HydrophobicContact CG-CG2 4.06Å; L284-V288 WeakPolarHBondContact O-CB 3.32Å; L284-V288 VanDerWaalsContact O-CG2 3.25Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 3.03Å; L284-V303 HydrophobicContact CD1-CG1 4.23Å; L284-I305 HydrophobicContact CB-CD1 4.07Å; L284-I305 HydrophobicContact CD1-CD1 3.68Å; L284-F314 HydrophobicContact CD1-CD1 4.46Å; L284-F314 HydrophobicContact CD1-CE1 4.07Å
285	R	97.2	Very high	96.1	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	22%	0.221	C	C	.	.	H	α-helix	trans	-53.3	-49.5	177	-179.6	178.5	-63.9	-78.2	-5.5	111.3	E252 I259 V281 Q282 E287 V288 E289	E252-R285 IonicContact OE2-NH1 2.83Å; E252-R285 PolarHBondContact OE2-NH1 2.74Å; I259-R285 HydrophobicContact CD1-CB 3.74Å; I259-R285 HydrophobicContact CD1-CG 3.89Å; V281-R285 PolarHBondContact O-N 3.36Å; Q282-R285 PolarHBondContact O-N 3.27Å; R285-E287 PolarHBondContact O-N 2.85Å; R285-V288 PolarHBondContact O-N 3.35Å; R285-E289 WeakPolarHBondContact O-CB 3.41Å; R285-E289 PolarHBondContact O-N 3.13Å
286	R	95.6	Very high	96.2	Very high	97 Å²	97	45 Å²	45	37%	0.366	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-48.2	-179.6	-170.6	-174.5	71.9	-163	0.6	112.4	Q282 L284 K290	Q282-R286 PolarHBondContact O-N 2.96Å; Q282-R286 VanDerWaalsContact O-N 3.08Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.2Å; R286-K290 WeakPolarHBondContact O-CB 3.32Å; R286-K290 PolarHBondContact O-N 3.05Å; R286-K290 VanDerWaalsContact O-N 3.16Å
287	E	97.6	Very high	96.4	Very high	25 Å²	25	47.8 Å²	47.8	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-74.7	-28.9	-179.5	-60.6	-49.3	132.3	0	0	112.7	K283 L284 R285 K290 A291 V303 I305	K283-E287 PolarHBondContact O-N 3.42Å; L284-E287 PolarHBondContact O-N 3.39Å; R285-E287 PolarHBondContact O-N 2.85Å; E287-K290 WeakPolarHBondContact OE2-CD 3.37Å; E287-K290 IonicContact OE2-NZ 3.16Å; E287-K290 PolarHBondContact OE2-NZ 3.33Å; E287-A291 WeakPolarHBondContact O-CB 3.32Å; E287-A291 PolarHBondContact O-N 3.36Å; E287-V303 HydrophobicContact CB-CG1 3.89Å; E287-I305 HydrophobicContact CB-CD1 4.38Å; E287-I305 HydrophobicContact CB-CG1 4.16Å; E287-I305 HydrophobicContact CG-CD1 4.35Å; E287-I305 HydrophobicContact CG-CG1 3.74Å
288	V	98.1	Very high	96.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-48	172.1	163.2	0	0	0	0	111.1	D255 V258 I259 F262 L284 R285 K290 A291 K292	D255-V288 HydrophobicContact CB-CG1 4.12Å; V258-V288 HydrophobicContact CB-CG1 3.69Å; V258-V288 HydrophobicContact CG1-CB 4.44Å; V258-V288 HydrophobicContact CG1-CG1 3.72Å; V258-V288 HydrophobicContact CG1-CG2 3.87Å; I259-V288 HydrophobicContact CG1-CB 4.28Å; I259-V288 HydrophobicContact CG1-CG1 4.23Å; I259-V288 HydrophobicContact CG1-CG2 4.14Å; F262-V288 HydrophobicContact CD2-CG2 3.9Å; F262-V288 HydrophobicContact CE2-CG2 4.13Å; L284-V288 HydrophobicContact CD1-CG2 3.89Å; L284-V288 HydrophobicContact CG-CG2 4.06Å; L284-V288 WeakPolarHBondContact O-CB 3.32Å; L284-V288 VanDerWaalsContact O-CG2 3.25Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 3.03Å; R285-V288 PolarHBondContact O-N 3.35Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 3.26Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.87Å; V288-A291 VanDerWaalsContact O-N 3.16Å; V288-K292 WeakPolarHBondContact O-CB 3.34Å; V288-K292 PolarHBondContact O-N 3.05Å
289	E	96.7	Very high	96.7	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-44.2	179.4	-171.4	-110	149.8	0	0	111	K78 R285 K292 R293	K78-E289 IonicContact NZ-OE1 3.36Å; K78-E289 IonicContact NZ-OE2 2.66Å; K78-E289 PolarHBondContact NZ-OE2 2.91Å; R285-E289 WeakPolarHBondContact O-CB 3.41Å; R285-E289 PolarHBondContact O-N 3.13Å; E289-K292 WeakPolarHBondContact O-CB 3.23Å; E289-K292 PolarHBondContact O-N 3.01Å; E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 3.25Å; E289-R293 VanDerWaalsContact O-N 3.12Å; E289-R293 IonicContact OE1-CZ 3.83Å; E289-R293 IonicContact OE1-NE 3.87Å; E289-R293 PolarHBondContact OE1-NE 2.95Å; E289-R293 IonicContact OE1-NH2 2.66Å; E289-R293 PolarHBondContact OE1-NH2 2.92Å
290	K	96.5	Very high	96.9	Very high	113 Å²	113	48.3 Å²	48.3	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-45.4	172.5	-178.6	-177.4	171.9	-169.4	0	112	R286 E287 V288 R293 M294	R286-K290 WeakPolarHBondContact O-CB 3.32Å; R286-K290 PolarHBondContact O-N 3.05Å; R286-K290 VanDerWaalsContact O-N 3.16Å; E287-K290 WeakPolarHBondContact OE2-CD 3.37Å; E287-K290 IonicContact OE2-NZ 3.16Å; E287-K290 PolarHBondContact OE2-NZ 3.33Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 3.26Å; K290-R293 PolarHBondContact O-N 3.18Å; K290-M294 HydrophobicContact CG-SD 4.27Å; K290-M294 WeakPolarHBondContact O-CG 3.13Å; K290-M294 PolarHBondContact O-N 2.88Å
291	A	98.1	Very high	97	Very high	2 Å²	2	49 Å²	49	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-44	177.6	0	0	0	0	0	111.9	E287 V288 R293 M294 L295 T301 V303 L318	E287-A291 WeakPolarHBondContact O-CB 3.32Å; E287-A291 PolarHBondContact O-N 3.36Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.87Å; V288-A291 VanDerWaalsContact O-N 3.16Å; A291-R293 VanDerWaalsContact C-N 3.34Å; A291-R293 PolarHBondContact O-N 2.77Å; A291-M294 WeakPolarHBondContact O-CB 3.4Å; A291-M294 PolarHBondContact O-N 3.23Å; A291-M294 VanDerWaalsContact O-N 3.13Å; A291-L295 VanDerWaalsContact O-CG 3.32Å; A291-L295 WeakPolarHBondContact O-CG 3.31Å; A291-L295 PolarHBondContact O-N 3.45Å; A291-T301 HydrophobicContact CB-CG2 3.53Å; A291-V303 HydrophobicContact CB-CG2 3.62Å; A291-L318 HydrophobicContact CB-CD2 4.25Å
292	K	97.6	Very high	97	Very high	21 Å²	21	50.6 Å²	50.6	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-53.1	-50.5	174.1	175.9	-175.1	69.4	-161.5	0	111	G251 D255 V288 E289 M294 L295 S296 F323	G251-K292 PolarHBondContact O-NZ 2.81Å; D255-K292 WeakPolarHBondContact OD1-CD 3.37Å; D255-K292 WeakPolarHBondContact OD1-CE 3.38Å; D255-K292 IonicContact OD1-NZ 2.79Å; D255-K292 PolarHBondContact OD1-NZ 3.49Å; D255-K292 IonicContact OD2-NZ 2.96Å; D255-K292 PolarHBondContact OD2-NZ 3.44Å; V288-K292 WeakPolarHBondContact O-CB 3.34Å; V288-K292 PolarHBondContact O-N 3.05Å; E289-K292 WeakPolarHBondContact O-CB 3.23Å; E289-K292 PolarHBondContact O-N 3.01Å; K292-M294 VanDerWaalsContact C-N 3.33Å; K292-M294 PolarHBondContact O-N 3.4Å; K292-L295 WeakPolarHBondContact O-CB 3.37Å; K292-L295 PolarHBondContact O-N 3.13Å; K292-L295 VanDerWaalsContact O-N 3.15Å; K292-S296 PolarHBondContact O-N 2.9Å; K292-F323 HydrophobicContact CB-CE2 4.46Å; K292-F323 HydrophobicContact CD-CE2 4.19Å; K292-F323 HydrophobicContact CD-CZ 4.02Å; K292-F323 HydrophobicContact CG-CE2 3.95Å; K292-F323 HydrophobicContact CG-CZ 3.78Å
293	R	96.3	Very high	97.1	Very high	116 Å²	116	50.5 Å²	50.5	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-41.8	177.5	-67.7	-178.4	-174.2	-135.7	-4.8	112.6	Y36 E289 K290 A291 L295 S296	Y36-R293 PolarHBondContact OH-NH2 2.93Å; E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 3.25Å; E289-R293 VanDerWaalsContact O-N 3.12Å; E289-R293 IonicContact OE1-CZ 3.83Å; E289-R293 IonicContact OE1-NE 3.87Å; E289-R293 PolarHBondContact OE1-NE 2.95Å; E289-R293 IonicContact OE1-NH2 2.66Å; E289-R293 PolarHBondContact OE1-NH2 2.92Å; K290-R293 PolarHBondContact O-N 3.18Å; A291-R293 VanDerWaalsContact C-N 3.34Å; A291-R293 PolarHBondContact O-N 2.77Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 2.67Å; R293-S296 WeakPolarHBondContact O-CB 3.49Å; R293-S296 PolarHBondContact O-N 3.47Å
294	M	97.7	Very high	97.1	Very high	52 Å²	52	55.2 Å²	55.2	26%	0.256	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-36.6	177.2	-69.7	173.7	68.9	0	0	111.8	K290 A291 K292 S296 K297 R298 T301	K290-M294 HydrophobicContact CG-SD 4.27Å; K290-M294 WeakPolarHBondContact O-CG 3.13Å; K290-M294 PolarHBondContact O-N 2.88Å; A291-M294 WeakPolarHBondContact O-CB 3.4Å; A291-M294 PolarHBondContact O-N 3.23Å; A291-M294 VanDerWaalsContact O-N 3.13Å; K292-M294 VanDerWaalsContact C-N 3.33Å; K292-M294 PolarHBondContact O-N 3.4Å; M294-S296 PolarHBondContact O-N 2.94Å; M294-K297 PolarHBondContact O-N 3.26Å; M294-K297 VanDerWaalsContact O-N 3.11Å; M294-R298 WeakPolarHBondContact O-CB 3.38Å; M294-R298 PolarHBondContact O-N 3.43Å; M294-T301 HydrophobicContact CB-CG2 4.41Å; M294-T301 WeakPolarHBondContact CE-OG1 3.39Å
295	L	98	Very high	97.1	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-20.9	178.5	-69.6	174.2	0	0	0	113.9	A291 K292 R293 K297 R298 T301 L318 R320 F323	A291-L295 VanDerWaalsContact O-CG 3.32Å; A291-L295 WeakPolarHBondContact O-CG 3.31Å; A291-L295 PolarHBondContact O-N 3.45Å; K292-L295 WeakPolarHBondContact O-CB 3.37Å; K292-L295 PolarHBondContact O-N 3.13Å; K292-L295 VanDerWaalsContact O-N 3.15Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 2.67Å; L295-K297 PolarHBondContact O-N 3.27Å; L295-R298 CarbonylContact C-O 3.48Å; L295-R298 WeakPolarHBondContact CA-O 3.38Å; L295-T301 HydrophobicContact CD2-CG2 4.14Å; L295-T301 HydrophobicContact CG-CG2 4.1Å; L295-L318 HydrophobicContact CD1-CB 4.46Å; L295-L318 HydrophobicContact CD1-CD2 3.61Å; L295-L318 HydrophobicContact CD1-CG 3.73Å; L295-R320 HydrophobicContact CD2-CB 4.26Å; L295-R320 PolarHBondContact O-NE 2.97Å; L295-R320 PolarHBondContact O-NH2 2.99Å; L295-F323 HydrophobicContact CD1-CB 3.85Å; L295-F323 HydrophobicContact CD1-CG 4.23Å
296	S	95.1	Very high	97	Very high	26 Å²	26	62.7 Å²	62.7	18%	0.182	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.6	171.6	-55.7	0	0	0	0	112.4	K292 R293 M294 Q363 P365	K292-S296 PolarHBondContact O-N 2.9Å; R293-S296 WeakPolarHBondContact O-CB 3.49Å; R293-S296 PolarHBondContact O-N 3.47Å; M294-S296 PolarHBondContact O-N 2.94Å; S296-Q363 WeakPolarHBondContact CB-O 3.13Å; S296-Q363 PolarHBondContact OG-O 3.13Å; S296-P365 WeakPolarHBondContact O-CG 3.23Å
297	K	95	Very high	96.9	Very high	179 Å²	179	61 Å²	61	78%	0.778	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-21	-179.4	-62.2	179.2	-177.3	175.7	0	113.7	M294 L295	M294-K297 PolarHBondContact O-N 3.26Å; M294-K297 VanDerWaalsContact O-N 3.11Å; L295-K297 PolarHBondContact O-N 3.27Å
298	R	96.6	Very high	96.7	Very high	143 Å²	143	60.1 Å²	60.1	54%	0.54	30%	0.296	S	S	.	.	S	Bend	trans	-116.2	146.2	-176.7	-57.8	-178	-176.8	-172	1.5	111.6	M294 L295 S300 R320	M294-R298 WeakPolarHBondContact O-CB 3.38Å; M294-R298 PolarHBondContact O-N 3.43Å; L295-R298 CarbonylContact C-O 3.48Å; L295-R298 WeakPolarHBondContact CA-O 3.38Å; R298-S300 VanDerWaalsContact C-N 3.26Å; R298-S300 PolarHBondContact O-N 3.25Å; R298-R320 PolarHBondContact O-NH2 3.13Å
299	P	97.2	Very high	96.3	Very high	94 Å²	94	60.7 Å²	60.7	61%	0.61	30%	0.299	S	S	*	.	S	Bend	trans	-70.1	-23.5	177.3	28.5	-35	0	0	0	113.1	R320	P299-R320 WeakPolarHBondContact O-CB 3.43Å; P299-R320 PolarHBondContact O-N 3.45Å
300	S	98	Very high	95.9	Very high	56 Å²	56	65.7 Å²	65.7	39%	0.392	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	162.4	178	59.5	0	0	0	0	111.2	R298 L318	R298-S300 VanDerWaalsContact C-N 3.26Å; R298-S300 PolarHBondContact O-N 3.25Å; S300-L318 WeakPolarHBondContact CA-O 3.21Å
301	T	98.2	Very high	95.5	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	161.2	171.7	-170	0	0	0	0	109.6	A291 M294 L295 L318	A291-T301 HydrophobicContact CB-CG2 3.53Å; M294-T301 HydrophobicContact CB-CG2 4.41Å; M294-T301 WeakPolarHBondContact CE-OG1 3.39Å; L295-T301 HydrophobicContact CD2-CG2 4.14Å; L295-T301 HydrophobicContact CG-CG2 4.1Å; T301-L318 PolarHBondContact N-O 3.04Å; T301-L318 PolarHBondContact O-N 3.17Å; T301-L318 VanDerWaalsContact O-O 3.07Å
302	T	97.9	Very high	95.1	Very high	58 Å²	58	65.9 Å²	65.9	36%	0.356	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.6	173.3	-46.5	0	0	0	0	109.5	E304 E316	T302-E304 HydrophobicContact CG2-CG 3.52Å; T302-E304 WeakPolarHBondContact CG2-OE1 3.44Å; T302-E316 WeakPolarHBondContact CG2-O 3.42Å
303	V	97.8	Very high	95	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.9	168.2	174.9	0	0	0	0	106.8	F262 L284 E287 A291 I305 F314 S315 E316 L318	F262-V303 HydrophobicContact CE2-CB 4.28Å; F262-V303 HydrophobicContact CE2-CG1 4.46Å; F262-V303 HydrophobicContact CE2-CG2 3.89Å; F262-V303 HydrophobicContact CZ-CG2 4.31Å; L284-V303 HydrophobicContact CD1-CG1 4.23Å; E287-V303 HydrophobicContact CB-CG1 3.89Å; A291-V303 HydrophobicContact CB-CG2 3.62Å; V303-I305 HydrophobicContact CG1-CD1 4.23Å; V303-I305 HydrophobicContact CG1-CG1 4.4Å; V303-F314 HydrophobicContact CB-CE1 4.38Å; V303-F314 HydrophobicContact CG1-CD1 4.22Å; V303-F314 HydrophobicContact CG1-CE1 3.9Å; V303-S315 VanDerWaalsContact O-CA 3.31Å; V303-S315 WeakPolarHBondContact O-CA 3.48Å; V303-E316 PolarHBondContact N-O 3.4Å; V303-E316 PolarHBondContact O-N 3.37Å; V303-L318 HydrophobicContact CG2-CB 4.48Å
304	E	96.8	Very high	95	Very high	126 Å²	126	64.2 Å²	64.2	59%	0.589	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.5	-176.2	-62.7	-177.9	172.9	0	0	109.6	T302 F314	T302-E304 HydrophobicContact CG2-CG 3.52Å; T302-E304 WeakPolarHBondContact CG2-OE1 3.44Å; E304-F314 CarbonylContact C-O 3.52Å; E304-F314 WeakPolarHBondContact CA-O 3.48Å
305	I	96.7	Very high	94.9	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.056	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.1	-177.6	-53.2	167.1	0	0	0	109.1	K283 L284 E287 V303 L308 D313 F314	K283-I305 HydrophobicContact CB-CG2 3.87Å; K283-I305 HydrophobicContact CD-CG2 3.85Å; K283-I305 HydrophobicContact CG-CG2 4.4Å; L284-I305 HydrophobicContact CB-CD1 4.07Å; L284-I305 HydrophobicContact CD1-CD1 3.68Å; E287-I305 HydrophobicContact CB-CD1 4.38Å; E287-I305 HydrophobicContact CB-CG1 4.16Å; E287-I305 HydrophobicContact CG-CD1 4.35Å; E287-I305 HydrophobicContact CG-CG1 3.74Å; V303-I305 HydrophobicContact CG1-CD1 4.23Å; V303-I305 HydrophobicContact CG1-CG1 4.4Å; I305-L308 HydrophobicContact CB-CB 4.38Å; I305-L308 HydrophobicContact CB-CD1 4.5Å; I305-L308 HydrophobicContact CD1-CD1 4.02Å; I305-L308 HydrophobicContact CG2-CB 4.01Å; I305-L308 HydrophobicContact CG2-CD1 3.91Å; I305-D313 CarbonylContact O-C 3.59Å; I305-D313 WeakPolarHBondContact O-CA 3.38Å; I305-F314 HydrophobicContact CB-CB 4.4Å; I305-F314 HydrophobicContact CD1-CD1 4.07Å; I305-F314 HydrophobicContact CG1-CD1 4.49Å; I305-F314 PolarHBondContact N-O 3.11Å; I305-F314 PolarHBondContact O-N 2.95Å
306	E	95	Very high	94.9	Very high	158 Å²	158	67.2 Å²	67.2	74%	0.738	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.4	173.2	-64.4	179.2	175.9	0	0	111.6	K283 L308 D313	K283-E306 PolarHBondContact NZ-O 3.25Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 2.87Å; E306-D313 VanDerWaalsContact CA-OD1 3.29Å; E306-D313 WeakPolarHBondContact CA-OD1 3.41Å
307	S	93.1	Very high	95	Very high	62 Å²	62	70 Å²	70	43%	0.434	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.5	55.1	178	-66.3	0	0	0	0	111.7	K283 E312 D313	K283-S307 PolarHBondContact NZ-O 3.24Å; S307-E312 CarbonylContact C-O 3.58Å; S307-D313 PolarHBondContact N-OD1 3.28Å
308	L	94.1	Very high	95.2	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-49.7	-178.3	176.2	63.7	0	0	0	110.5	I266 I274 A280 K283 I305 E306 E312 F314	I266-L308 HydrophobicContact CD1-CD2 3.53Å; I274-L308 HydrophobicContact CG2-CD2 4.3Å; I274-L308 HydrophobicContact CG2-CG 4.46Å; A280-L308 HydrophobicContact CB-CD1 4.03Å; A280-L308 HydrophobicContact CB-CG 4.47Å; A280-L308 VanDerWaalsContact CB-O 3.24Å; A280-L308 WeakPolarHBondContact CB-O 3.17Å; A280-L308 VanDerWaalsContact O-CD1 3.3Å; A280-L308 WeakPolarHBondContact O-CD1 3.42Å; K283-L308 HydrophobicContact CB-CD1 4.16Å; I305-L308 HydrophobicContact CB-CB 4.38Å; I305-L308 HydrophobicContact CB-CD1 4.5Å; I305-L308 HydrophobicContact CD1-CD1 4.02Å; I305-L308 HydrophobicContact CG2-CB 4.01Å; I305-L308 HydrophobicContact CG2-CD1 3.91Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 2.87Å; L308-E312 PolarHBondContact N-O 3.43Å; L308-F314 HydrophobicContact CB-CB 4.11Å; L308-F314 HydrophobicContact CD2-CB 3.51Å; L308-F314 HydrophobicContact CD2-CD1 4.38Å; L308-F314 HydrophobicContact CD2-CD2 4.33Å; L308-F314 HydrophobicContact CD2-CG 3.84Å; L308-F314 HydrophobicContact CG-CB 4.43Å
309	I	90	Very high	95.3	Very high	13 Å²	13	57 Å²	57	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.7	179.1	-171	158.2	0	0	0	110.6	K272 I274 G311 E312	K272-I309 HydrophobicContact CB-CD1 4.32Å; K272-I309 HydrophobicContact CB-CG2 4.25Å; K272-I309 HydrophobicContact CD-CG1 4.39Å; K272-I309 HydrophobicContact CD-CG2 3.83Å; I274-I309 HydrophobicContact CG2-CB 4.26Å; I274-I309 HydrophobicContact CG2-CD1 4Å; I274-I309 HydrophobicContact CG2-CG2 4.03Å; I309-G311 VanDerWaalsContact C-N 3.28Å; I309-G311 PolarHBondContact O-N 3.33Å; I309-E312 WeakPolarHBondContact O-CB 3.43Å; I309-E312 PolarHBondContact O-N 3.34Å
310	D	87.8	Confident	95.3	Very high	124 Å²	124	55.6 Å²	55.6	66%	0.663	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	42.1	-176.1	-39.1	-43.4	0	0	0	115.2	K272 E312	K272-D310 WeakPolarHBondContact CE-OD2 3.4Å; K272-D310 IonicContact NZ-OD2 2.96Å; K272-D310 PolarHBondContact NZ-OD2 3.34Å; D310-E312 PolarHBondContact O-N 3.26Å
311	G	88.3	Confident	95.3	Very high	52 Å²	52	56.2 Å²	56.2	54%	0.536	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.4	179.6	0	0	0	0	0	114.8	I309	I309-G311 VanDerWaalsContact C-N 3.28Å; I309-G311 PolarHBondContact O-N 3.33Å
312	E	90.6	Very high	95.3	Very high	67 Å²	67	57.9 Å²	57.9	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133	175.3	-64.8	-175.8	-146.6	0	0	112.6	K270 K272 S307 L308 I309 D310	K270-E312 VanDerWaalsContact CD-OE2 3.25Å; K270-E312 WeakPolarHBondContact CD-OE2 3.35Å; K270-E312 WeakPolarHBondContact CE-OE2 3.36Å; K270-E312 IonicContact NZ-OE2 3.71Å; K270-E312 PolarHBondContact NZ-OE2 2.7Å; K272-E312 VanDerWaalsContact CE-OE1 3.26Å; K272-E312 WeakPolarHBondContact CE-OE1 3.46Å; K272-E312 IonicContact NZ-OE1 3.61Å; K272-E312 PolarHBondContact NZ-OE1 2.92Å; S307-E312 CarbonylContact C-O 3.58Å; L308-E312 PolarHBondContact N-O 3.43Å; I309-E312 WeakPolarHBondContact O-CB 3.43Å; I309-E312 PolarHBondContact O-N 3.34Å; D310-E312 PolarHBondContact O-N 3.26Å
313	D	94.9	Very high	95.3	Very high	96 Å²	96	55.3 Å²	55.3	51%	0.513	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	156.3	174.3	-55.3	-27	0	0	0	111.5	K270 I305 E306 S307	K270-D313 PolarHBondContact NZ-O 2.7Å; I305-D313 CarbonylContact O-C 3.59Å; I305-D313 WeakPolarHBondContact O-CA 3.38Å; E306-D313 VanDerWaalsContact CA-OD1 3.29Å; E306-D313 WeakPolarHBondContact CA-OD1 3.41Å; S307-D313 PolarHBondContact N-OD1 3.28Å
314	F	95.6	Very high	95.3	Very high	6 Å²	6	57 Å²	57	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.8	173.7	175.9	-101.6	0	0	0	109.2	F262 I266 L284 V303 E304 I305 L308 E316	F262-F314 HydrophobicContact CB-CZ 3.95Å; F262-F314 AromaticContact CD1-CZ 3.84Å; F262-F314 HydrophobicContact CD1-CZ 3.84Å; F262-F314 HydrophobicContact CD2-CE1 4.39Å; F262-F314 HydrophobicContact CD2-CZ 4.36Å; F262-F314 HydrophobicContact CE1-CZ 4.4Å; F262-F314 HydrophobicContact CG-CE1 4.28Å; F262-F314 AromaticContact CG-CZ 3.81Å; F262-F314 HydrophobicContact CG-CZ 3.81Å; I266-F314 HydrophobicContact CD1-CD2 3.75Å; I266-F314 HydrophobicContact CD1-CE2 3.7Å; I266-F314 HydrophobicContact CD1-CG 4.32Å; I266-F314 HydrophobicContact CD1-CZ 4.23Å; I266-F314 HydrophobicContact CG1-CD2 3.54Å; I266-F314 HydrophobicContact CG1-CE2 3.39Å; I266-F314 HydrophobicContact CG1-CZ 4.31Å; L284-F314 HydrophobicContact CD1-CD1 4.46Å; L284-F314 HydrophobicContact CD1-CE1 4.07Å; V303-F314 HydrophobicContact CB-CE1 4.38Å; V303-F314 HydrophobicContact CG1-CD1 4.22Å; V303-F314 HydrophobicContact CG1-CE1 3.9Å; E304-F314 CarbonylContact C-O 3.52Å; E304-F314 WeakPolarHBondContact CA-O 3.48Å; I305-F314 HydrophobicContact CB-CB 4.4Å; I305-F314 HydrophobicContact CD1-CD1 4.07Å; I305-F314 HydrophobicContact CG1-CD1 4.49Å; I305-F314 PolarHBondContact N-O 3.11Å; I305-F314 PolarHBondContact O-N 2.95Å; L308-F314 HydrophobicContact CB-CB 4.11Å; L308-F314 HydrophobicContact CD2-CB 3.51Å; L308-F314 HydrophobicContact CD2-CD1 4.38Å; L308-F314 HydrophobicContact CD2-CD2 4.33Å; L308-F314 HydrophobicContact CD2-CG 3.84Å; L308-F314 HydrophobicContact CG-CB 4.43Å; F314-E316 HydrophobicContact CD2-CG 4.19Å; F314-E316 HydrophobicContact CE1-CB 4.14Å; F314-E316 HydrophobicContact CE1-CG 4.07Å; F314-E316 HydrophobicContact CE2-CB 4.28Å; F314-E316 HydrophobicContact CE2-CG 3.34Å; F314-E316 HydrophobicContact CZ-CB 3.73Å; F314-E316 HydrophobicContact CZ-CG 3.28Å
315	S	96.8	Very high	95.4	Very high	71 Å²	71	59 Å²	59	50%	0.497	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	115.4	174.9	-179.5	0	0	0	0	108.6	V303	V303-S315 VanDerWaalsContact O-CA 3.31Å; V303-S315 WeakPolarHBondContact O-CA 3.48Å
316	E	97.2	Very high	95.5	Very high	47 Å²	47	60.5 Å²	60.5	22%	0.22	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.2	176.4	-67.6	-68.7	163.2	0	0	110.2	F262 L265 K269 T302 V303 F314	F262-E316 HydrophobicContact CE1-CB 3.97Å; F262-E316 HydrophobicContact CZ-CB 4.42Å; L265-E316 HydrophobicContact CD2-CG 3.83Å; K269-E316 IonicContact NZ-OE1 2.76Å; K269-E316 PolarHBondContact NZ-OE1 2.93Å; K269-E316 IonicContact NZ-OE2 3.23Å; K269-E316 PolarHBondContact NZ-OE2 3.39Å; T302-E316 WeakPolarHBondContact CG2-O 3.42Å; V303-E316 PolarHBondContact N-O 3.4Å; V303-E316 PolarHBondContact O-N 3.37Å; F314-E316 HydrophobicContact CD2-CG 4.19Å; F314-E316 HydrophobicContact CE1-CB 4.14Å; F314-E316 HydrophobicContact CE1-CG 4.07Å; F314-E316 HydrophobicContact CE2-CB 4.28Å; F314-E316 HydrophobicContact CE2-CG 3.34Å; F314-E316 HydrophobicContact CZ-CB 3.73Å; F314-E316 HydrophobicContact CZ-CG 3.28Å
317	T	97.8	Very high	95.7	Very high	85 Å²	85	53 Å²	53	52%	0.521	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.5	173.5	-56.5	0	0	0	0	110.2	T319	T317-T319 HydrophobicContact CG2-CG2 4.32Å
318	L	98.4	Very high	95.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	166.7	-170	62.2	0	0	0	109	V258 F262 A291 L295 S300 T301 V303 T322	V258-L318 HydrophobicContact CG1-CD1 4.28Å; V258-L318 HydrophobicContact CG1-CD2 3.95Å; F262-L318 HydrophobicContact CZ-CB 4.1Å; F262-L318 HydrophobicContact CZ-CD1 3.95Å; F262-L318 HydrophobicContact CZ-CG 4.44Å; A291-L318 HydrophobicContact CB-CD2 4.25Å; L295-L318 HydrophobicContact CD1-CB 4.46Å; L295-L318 HydrophobicContact CD1-CD2 3.61Å; L295-L318 HydrophobicContact CD1-CG 3.73Å; S300-L318 WeakPolarHBondContact CA-O 3.21Å; T301-L318 PolarHBondContact N-O 3.04Å; T301-L318 PolarHBondContact O-N 3.17Å; T301-L318 VanDerWaalsContact O-O 3.07Å; V303-L318 HydrophobicContact CG2-CB 4.48Å; L318-T322 HydrophobicContact CD1-CG2 4.19Å
319	T	98.4	Very high	96.1	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.288	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.4	171.5	77.2	0	0	0	0	110.3	T317 A321 T322 F323	T317-T319 HydrophobicContact CG2-CG2 4.32Å; T319-A321 VanDerWaalsContact C-N 3.26Å; T319-A321 PolarHBondContact O-N 3.23Å; T319-T322 WeakPolarHBondContact O-CB 3.47Å; T319-T322 PolarHBondContact O-N 3.03Å; T319-T322 VanDerWaalsContact O-N 3.14Å; T319-T322 PolarHBondContact OG1-N 3.15Å; T319-T322 PolarHBondContact OG1-OG1 3.39Å; T319-F323 PolarHBondContact O-N 3.32Å
320	R	97.9	Very high	96.5	Very high	65 Å²	65	56.7 Å²	56.7	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-42	173.4	-173	-173.3	-63.8	155.2	-3.8	111.1	L295 R298 P299 T322 F323 E324	L295-R320 HydrophobicContact CD2-CB 4.26Å; L295-R320 PolarHBondContact O-NE 2.97Å; L295-R320 PolarHBondContact O-NH2 2.99Å; R298-R320 PolarHBondContact O-NH2 3.13Å; P299-R320 WeakPolarHBondContact O-CB 3.43Å; P299-R320 PolarHBondContact O-N 3.45Å; R320-T322 VanDerWaalsContact C-N 3.31Å; R320-T322 PolarHBondContact O-N 3.47Å; R320-F323 PolarHBondContact O-N 2.93Å; R320-E324 VanDerWaalsContact CD-OE1 3.26Å; R320-E324 WeakPolarHBondContact CD-OE1 3.28Å; R320-E324 HydrophobicContact CG-CG 4.24Å; R320-E324 WeakPolarHBondContact CG-OE1 3.48Å; R320-E324 WeakPolarHBondContact O-CB 3.33Å; R320-E324 VanDerWaalsContact O-CG 3.28Å; R320-E324 WeakPolarHBondContact O-CG 3.12Å; R320-E324 PolarHBondContact O-N 2.8Å
321	A	98	Very high	97	Very high	70 Å²	70	50.8 Å²	50.8	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-60.3	-39.6	176.9	0	0	0	0	0	112.6	T319 K325	T319-A321 VanDerWaalsContact C-N 3.26Å; T319-A321 PolarHBondContact O-N 3.23Å; A321-K325 VanDerWaalsContact O-CB 3.28Å; A321-K325 WeakPolarHBondContact O-CB 3.44Å; A321-K325 PolarHBondContact O-N 3.37Å
322	T	98.2	Very high	97.4	Very high	48 Å²	48	52.4 Å²	52.4	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-48.5	173.9	-55	0	0	0	0	111.1	L318 T319 R320 E324 K325 L326	L318-T322 HydrophobicContact CD1-CG2 4.19Å; T319-T322 WeakPolarHBondContact O-CB 3.47Å; T319-T322 PolarHBondContact O-N 3.03Å; T319-T322 VanDerWaalsContact O-N 3.14Å; T319-T322 PolarHBondContact OG1-N 3.15Å; T319-T322 PolarHBondContact OG1-OG1 3.39Å; R320-T322 VanDerWaalsContact C-N 3.31Å; R320-T322 PolarHBondContact O-N 3.47Å; T322-E324 VanDerWaalsContact C-N 3.33Å; T322-E324 PolarHBondContact O-N 3.03Å; T322-K325 PolarHBondContact O-N 2.88Å; T322-L326 HydrophobicContact CG2-CD1 4.19Å; T322-L326 WeakPolarHBondContact O-CG 3.48Å; T322-L326 PolarHBondContact O-N 3.48Å
323	F	98.6	Very high	97.7	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-45.6	177.9	172.3	-104.3	0	0	0	112	F254 V258 K292 L295 T319 R320 L326 N327 F331 I364	F254-F323 HydrophobicContact CB-CE2 4.15Å; F254-F323 HydrophobicContact CB-CZ 4.1Å; V258-F323 HydrophobicContact CG2-CD2 3.68Å; V258-F323 HydrophobicContact CG2-CE2 4.07Å; K292-F323 HydrophobicContact CB-CE2 4.46Å; K292-F323 HydrophobicContact CD-CE2 4.19Å; K292-F323 HydrophobicContact CD-CZ 4.02Å; K292-F323 HydrophobicContact CG-CE2 3.95Å; K292-F323 HydrophobicContact CG-CZ 3.78Å; L295-F323 HydrophobicContact CD1-CB 3.85Å; L295-F323 HydrophobicContact CD1-CG 4.23Å; T319-F323 PolarHBondContact O-N 3.32Å; R320-F323 PolarHBondContact O-N 2.93Å; F323-L326 PolarHBondContact O-N 3.3Å; F323-N327 VanDerWaalsContact CE2-ND2 3.32Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.46Å; F323-N327 PolarHBondContact O-N 3.47Å; F323-N327 PolarHBondContact O-ND2 3.27Å; F323-N327 VanDerWaalsContact O-ND2 3.1Å; F323-F331 HydrophobicContact CD1-CZ 4.45Å; F323-F331 HydrophobicContact CE1-CE2 4.39Å; F323-F331 AromaticContact CE1-CZ 3.7Å; F323-F331 HydrophobicContact CE1-CZ 3.7Å; F323-F331 HydrophobicContact CZ-CZ 4.04Å; F323-I364 HydrophobicContact CE1-CD1 4.15Å; F323-I364 HydrophobicContact CE1-CG1 4.37Å; F323-I364 HydrophobicContact CE1-CG2 4Å; F323-I364 HydrophobicContact CZ-CD1 4.07Å
324	E	98.2	Very high	97.9	Very high	36 Å²	36	48.6 Å²	48.6	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-44.1	176.9	-71.3	175.2	-170	0	0	111.5	R320 T322 L326 N327 I328 F331 K366	R320-E324 VanDerWaalsContact CD-OE1 3.26Å; R320-E324 WeakPolarHBondContact CD-OE1 3.28Å; R320-E324 HydrophobicContact CG-CG 4.24Å; R320-E324 WeakPolarHBondContact CG-OE1 3.48Å; R320-E324 WeakPolarHBondContact O-CB 3.33Å; R320-E324 VanDerWaalsContact O-CG 3.28Å; R320-E324 WeakPolarHBondContact O-CG 3.12Å; R320-E324 PolarHBondContact O-N 2.8Å; T322-E324 VanDerWaalsContact C-N 3.33Å; T322-E324 PolarHBondContact O-N 3.03Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.37Å; E324-N327 CarbonylContact O-C 3.59Å; E324-N327 PolarHBondContact O-N 3.12Å; E324-N327 VanDerWaalsContact O-N 3.15Å; E324-I328 WeakPolarHBondContact O-CA 3.09Å; E324-I328 WeakPolarHBondContact O-CB 3.43Å; E324-I328 PolarHBondContact O-N 3.42Å; E324-F331 HydrophobicContact CG-CE2 4.37Å; E324-K366 HydrophobicContact CG-CB 3.74Å; E324-K366 HydrophobicContact CG-CG 4.09Å
325	K	98.2	Very high	98	Very high	170 Å²	170	49 Å²	49	74%	0.739	26%	0.263	S	S	*	.	H	α-helix	trans	-59.3	-37.6	177	-179	-178	176	-176	0	112.5	A321 T322 N327	A321-K325 VanDerWaalsContact O-CB 3.28Å; A321-K325 WeakPolarHBondContact O-CB 3.44Å; A321-K325 PolarHBondContact O-N 3.37Å; T322-K325 PolarHBondContact O-N 2.88Å; K325-N327 VanDerWaalsContact C-N 3.27Å; K325-N327 PolarHBondContact O-N 3.48Å
326	L	98.4	Very high	97.9	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-71.3	-22.5	-179.9	-69.5	171.4	0	0	0	113.4	R257 V258 H261 T322 F323 E324	R257-L326 PolarHBondContact NH1-O 3.21Å; V258-L326 HydrophobicContact CG2-CD1 4.18Å; H261-L326 HydrophobicContact CB-CD1 3.83Å; H261-L326 HydrophobicContact CB-CD2 4.04Å; T322-L326 HydrophobicContact CG2-CD1 4.19Å; T322-L326 WeakPolarHBondContact O-CG 3.48Å; T322-L326 PolarHBondContact O-N 3.48Å; F323-L326 PolarHBondContact O-N 3.3Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.37Å
327	N	98.5	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-122.6	2.6	-170.2	-70	-60	0	0	0	114.1	F254 R257 F323 E324 K325 D329 L330 F331	F254-N327 WeakPolarHBondContact CA-OD1 3.49Å; F254-N327 HydrophobicContact CD1-CB 4.32Å; R257-N327 WeakPolarHBondContact CB-OD1 2.98Å; R257-N327 VanDerWaalsContact CG-OD1 3.28Å; R257-N327 WeakPolarHBondContact CG-OD1 3.35Å; F323-N327 VanDerWaalsContact CE2-ND2 3.32Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.46Å; F323-N327 PolarHBondContact O-N 3.47Å; F323-N327 PolarHBondContact O-ND2 3.27Å; F323-N327 VanDerWaalsContact O-ND2 3.1Å; E324-N327 CarbonylContact O-C 3.59Å; E324-N327 PolarHBondContact O-N 3.12Å; E324-N327 VanDerWaalsContact O-N 3.15Å; K325-N327 VanDerWaalsContact C-N 3.27Å; K325-N327 PolarHBondContact O-N 3.48Å; N327-D329 PolarHBondContact O-N 2.91Å; N327-L330 PolarHBondContact O-N 2.97Å; N327-F331 HydrophobicContact CB-CD1 4.31Å; N327-F331 HydrophobicContact CB-CD2 4.33Å; N327-F331 HydrophobicContact CB-CE1 3.74Å; N327-F331 HydrophobicContact CB-CE2 3.79Å; N327-F331 HydrophobicContact CB-CZ 3.44Å; N327-F331 VanDerWaalsContact CB-CZ 3.44Å; N327-F331 WeakPolarHBondContact O-CG 3.35Å; N327-F331 PolarHBondContact O-N 2.62Å
328	I	98.2	Very high	97.8	Very high	61 Å²	61	46 Å²	46	31%	0.313	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-34.4	-172.7	-171.2	58.6	0	0	0	112.8	E324 F331 L332 K366	E324-I328 WeakPolarHBondContact O-CA 3.09Å; E324-I328 WeakPolarHBondContact O-CB 3.43Å; E324-I328 PolarHBondContact O-N 3.42Å; I328-F331 PolarHBondContact O-N 3.22Å; I328-L332 HydrophobicContact CD1-CD1 4.47Å; I328-L332 HydrophobicContact CD1-CG 4.3Å; I328-L332 HydrophobicContact CG1-CD1 4.07Å; I328-L332 HydrophobicContact CG1-CG 4.37Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 VanDerWaalsContact O-CG 3.23Å; I328-L332 WeakPolarHBondContact O-CG 3.34Å; I328-L332 PolarHBondContact O-N 3.37Å; I328-K366 HydrophobicContact CD1-CG 4.42Å
329	D	98	Very high	97.8	Very high	77 Å²	77	51.4 Å²	51.4	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-44.1	175.4	61.6	-56.2	0	0	0	111.4	R257 N327 L332 K333	R257-D329 IonicContact CZ-OD1 3.24Å; R257-D329 IonicContact CZ-OD2 2.67Å; R257-D329 IonicContact NH1-OD1 2.97Å; R257-D329 PolarHBondContact NH1-OD1 3.39Å; R257-D329 IonicContact NH1-OD2 2.7Å; R257-D329 PolarHBondContact NH1-OD2 3.18Å; R257-D329 IonicContact NH2-OD1 3.06Å; R257-D329 IonicContact NH2-OD2 3.42Å; R257-D329 PolarHBondContact NH2-OD2 3.24Å; N327-D329 PolarHBondContact O-N 2.91Å; D329-L332 PolarHBondContact O-N 3.06Å; D329-K333 WeakPolarHBondContact O-CB 3.27Å; D329-K333 PolarHBondContact O-N 3.33Å
330	L	97.9	Very high	97.6	Very high	22 Å²	22	52.2 Å²	52.2	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-39.3	177.3	-60.8	-178.3	0	0	0	111.8	L249 D253 F254 R257 N327 K333 T334	L249-L330 HydrophobicContact CD1-CB 3.88Å; L249-L330 HydrophobicContact CD1-CD2 4.14Å; L249-L330 HydrophobicContact CD1-CG 4.44Å; D253-L330 HydrophobicContact CB-CD1 4.28Å; F254-L330 HydrophobicContact CD1-CB 4.28Å; F254-L330 HydrophobicContact CD1-CD1 3.87Å; F254-L330 HydrophobicContact CE1-CB 3.76Å; F254-L330 HydrophobicContact CE1-CD1 4.05Å; R257-L330 HydrophobicContact CG-CD1 4.21Å; N327-L330 PolarHBondContact O-N 2.97Å; L330-K333 WeakPolarHBondContact O-CB 3.23Å; L330-K333 PolarHBondContact O-N 3.08Å; L330-T334 PolarHBondContact O-N 3.06Å
331	F	98.4	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-42.7	175.3	-60.8	-21.4	0	0	0	111.9	F254 F323 E324 N327 I328 K333 T334 I364 K366 V367 L370	F254-F331 HydrophobicContact CD1-CD1 4.46Å; F254-F331 AromaticContact CD1-CE1 3.87Å; F254-F331 HydrophobicContact CD1-CE1 3.87Å; F254-F331 HydrophobicContact CD2-CE1 4.02Å; F254-F331 AromaticContact CE1-CD1 3.91Å; F254-F331 HydrophobicContact CE1-CD1 3.91Å; F254-F331 AromaticContact CE1-CE1 3.71Å; F254-F331 HydrophobicContact CE1-CE1 3.71Å; F254-F331 HydrophobicContact CE2-CD1 4.43Å; F254-F331 AromaticContact CE2-CE1 3.86Å; F254-F331 HydrophobicContact CE2-CE1 3.86Å; F254-F331 HydrophobicContact CG-CE1 4.05Å; F254-F331 AromaticContact CZ-CD1 3.9Å; F254-F331 HydrophobicContact CZ-CD1 3.9Å; F254-F331 AromaticContact CZ-CE1 3.71Å; F254-F331 HydrophobicContact CZ-CE1 3.71Å; F323-F331 HydrophobicContact CD1-CZ 4.45Å; F323-F331 HydrophobicContact CE1-CE2 4.39Å; F323-F331 AromaticContact CE1-CZ 3.7Å; F323-F331 HydrophobicContact CE1-CZ 3.7Å; F323-F331 HydrophobicContact CZ-CZ 4.04Å; E324-F331 HydrophobicContact CG-CE2 4.37Å; N327-F331 HydrophobicContact CB-CD1 4.31Å; N327-F331 HydrophobicContact CB-CD2 4.33Å; N327-F331 HydrophobicContact CB-CE1 3.74Å; N327-F331 HydrophobicContact CB-CE2 3.79Å; N327-F331 HydrophobicContact CB-CZ 3.44Å; N327-F331 VanDerWaalsContact CB-CZ 3.44Å; N327-F331 WeakPolarHBondContact O-CG 3.35Å; N327-F331 PolarHBondContact O-N 2.62Å; I328-F331 PolarHBondContact O-N 3.22Å; F331-K333 VanDerWaalsContact C-N 3.31Å; F331-K333 PolarHBondContact O-N 2.92Å; F331-T334 WeakPolarHBondContact O-CB 3.3Å; F331-T334 PolarHBondContact O-N 2.84Å; F331-T334 PolarHBondContact O-OG1 2.86Å; F331-I364 HydrophobicContact CE1-CD1 4.15Å; F331-I364 HydrophobicContact CE1-CG2 4.46Å; F331-I364 HydrophobicContact CE2-CG2 4.25Å; F331-I364 HydrophobicContact CZ-CD1 4.3Å; F331-I364 HydrophobicContact CZ-CG2 3.92Å; F331-K366 HydrophobicContact CD2-CB 4.04Å; F331-K366 HydrophobicContact CD2-CG 3.82Å; F331-K366 HydrophobicContact CE2-CB 4.08Å; F331-K366 HydrophobicContact CE2-CG 4.27Å; F331-V367 HydrophobicContact CD1-CG2 3.9Å; F331-V367 HydrophobicContact CE1-CG2 4.23Å; F331-V367 HydrophobicContact CG-CG2 4.24Å; F331-L370 HydrophobicContact CB-CD1 3.76Å
332	L	98	Very high	97.5	Very high	87 Å²	87	46.3 Å²	46.3	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-66.2	-34.6	176.2	-72.5	170.7	0	0	0	112	I328 D329 T334 L335 L370	I328-L332 HydrophobicContact CD1-CD1 4.47Å; I328-L332 HydrophobicContact CD1-CG 4.3Å; I328-L332 HydrophobicContact CG1-CD1 4.07Å; I328-L332 HydrophobicContact CG1-CG 4.37Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 VanDerWaalsContact O-CG 3.23Å; I328-L332 WeakPolarHBondContact O-CG 3.34Å; I328-L332 PolarHBondContact O-N 3.37Å; D329-L332 PolarHBondContact O-N 3.06Å; L332-T334 PolarHBondContact O-N 2.9Å; L332-L335 HydrophobicContact CD2-CD1 4.48Å; L332-L335 WeakPolarHBondContact O-CB 3.46Å; L332-L335 PolarHBondContact O-N 3.2Å; L332-L370 HydrophobicContact CD2-CD1 4.31Å; L332-L370 HydrophobicContact CD2-CD2 3.93Å
333	K	96.9	Very high	97.4	Very high	81 Å²	81	50.4 Å²	50.4	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-58	-30.3	175.8	-161.7	-175.3	-177.4	-159.9	0	112.3	D246 L249 D329 L330 F331 L335 E336 P337	D246-K333 WeakPolarHBondContact OD2-CE 3.36Å; D246-K333 IonicContact OD2-NZ 3.98Å; D246-K333 PolarHBondContact OD2-NZ 3.31Å; L249-K333 HydrophobicContact CD2-CB 4.46Å; L249-K333 HydrophobicContact CD2-CD 4.41Å; D329-K333 WeakPolarHBondContact O-CB 3.27Å; D329-K333 PolarHBondContact O-N 3.33Å; L330-K333 WeakPolarHBondContact O-CB 3.23Å; L330-K333 PolarHBondContact O-N 3.08Å; F331-K333 VanDerWaalsContact C-N 3.31Å; F331-K333 PolarHBondContact O-N 2.92Å; K333-L335 PolarHBondContact O-N 3.49Å; K333-E336 WeakPolarHBondContact O-CB 3.39Å; K333-E336 PolarHBondContact O-N 3.43Å; K333-E336 VanDerWaalsContact O-N 3.09Å; K333-P337 VanDerWaalsContact O-CD 3.26Å; K333-P337 WeakPolarHBondContact O-CD 3.5Å
334	T	97.5	Very high	97.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.1	176.2	70.4	0	0	0	0	113.6	F219 L221 F226 L249 L330 F331 L332 E336 V338	F219-T334 HydrophobicContact CZ-CG2 4.23Å; L221-T334 HydrophobicContact CD1-CG2 4.24Å; L221-T334 HydrophobicContact CD2-CG2 4.49Å; F226-T334 HydrophobicContact CD1-CG2 4.43Å; F226-T334 VanDerWaalsContact CE1-CA 3.47Å; F226-T334 HydrophobicContact CE1-CG2 4.27Å; F226-T334 VanDerWaalsContact CE1-O 3.22Å; F226-T334 WeakPolarHBondContact CE1-O 3.5Å; F226-T334 HydrophobicContact CE2-CG2 4.44Å; F226-T334 HydrophobicContact CZ-CG2 4.27Å; F226-T334 VanDerWaalsContact CZ-O 3.23Å; F226-T334 WeakPolarHBondContact CZ-O 3.25Å; L249-T334 HydrophobicContact CD2-CG2 3.91Å; L330-T334 PolarHBondContact O-N 3.06Å; F331-T334 WeakPolarHBondContact O-CB 3.3Å; F331-T334 PolarHBondContact O-N 2.84Å; F331-T334 PolarHBondContact O-OG1 2.86Å; L332-T334 PolarHBondContact O-N 2.9Å; T334-E336 VanDerWaalsContact C-N 3.28Å; T334-E336 PolarHBondContact O-N 3.3Å; T334-V338 WeakPolarHBondContact O-CG2 3.32Å
335	L	97.9	Very high	97.1	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-76.5	-14.9	178.2	-63.2	177.6	0	0	0	112.9	L332 K333 K339 L370 L371 F374	L332-L335 HydrophobicContact CD2-CD1 4.48Å; L332-L335 WeakPolarHBondContact O-CB 3.46Å; L332-L335 PolarHBondContact O-N 3.2Å; K333-L335 PolarHBondContact O-N 3.49Å; L335-K339 VanDerWaalsContact O-CG 3.29Å; L335-K339 WeakPolarHBondContact O-CG 3.45Å; L335-K339 PolarHBondContact O-N 2.86Å; L335-L370 HydrophobicContact CD1-CB 4.5Å; L335-L371 HydrophobicContact CD2-CD2 4.27Å; L335-F374 HydrophobicContact CD2-CB 4.18Å; L335-F374 HydrophobicContact CD2-CG 4.25Å
336	E	96	Very high	97	Very high	124 Å²	124	47 Å²	47	58%	0.579	25%	0.25	S	C	*	.	H	α-helix	trans	-69	-52.8	179.3	-63.8	175.1	-176.1	0	0	111.5	K333 T334 V338 K339 K340	K333-E336 WeakPolarHBondContact O-CB 3.39Å; K333-E336 PolarHBondContact O-N 3.43Å; K333-E336 VanDerWaalsContact O-N 3.09Å; T334-E336 VanDerWaalsContact C-N 3.28Å; T334-E336 PolarHBondContact O-N 3.3Å; E336-V338 VanDerWaalsContact C-N 3.28Å; E336-V338 PolarHBondContact O-N 2.91Å; E336-K339 PolarHBondContact O-N 3.1Å; E336-K340 WeakPolarHBondContact O-CB 3.35Å; E336-K340 PolarHBondContact O-N 2.83Å
337	P	94	Very high	97	Very high	14 Å²	14	47 Å²	47	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-38.3	171.1	-30	39.5	0	0	0	113.5	F226 V228 N244 K333 K340 V341	F226-P337 HydrophobicContact CD1-CG 4.06Å; F226-P337 HydrophobicContact CE1-CB 3.84Å; F226-P337 HydrophobicContact CE1-CG 3.63Å; V228-P337 HydrophobicContact CB-CB 4.49Å; V228-P337 HydrophobicContact CG2-CB 4.02Å; N244-P337 HydrophobicContact CB-CB 4.08Å; K333-P337 VanDerWaalsContact O-CD 3.26Å; K333-P337 WeakPolarHBondContact O-CD 3.5Å; P337-K340 PolarHBondContact O-N 2.91Å; P337-K340 VanDerWaalsContact O-N 3.14Å; P337-V341 PolarHBondContact O-N 2.68Å
338	V	97.8	Very high	96.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-49.9	177	175.4	0	0	0	0	111.8	L217 F219 V228 T334 E336 K340 V341 L342 F374 F375	L217-V338 HydrophobicContact CD1-CG1 4.35Å; F219-V338 HydrophobicContact CD2-CG2 3.85Å; F219-V338 HydrophobicContact CE2-CG2 3.81Å; V228-V338 HydrophobicContact CG1-CG2 4.11Å; V228-V338 HydrophobicContact CG2-CG2 3.88Å; T334-V338 WeakPolarHBondContact O-CG2 3.32Å; E336-V338 VanDerWaalsContact C-N 3.28Å; E336-V338 PolarHBondContact O-N 2.91Å; V338-K340 PolarHBondContact O-N 2.81Å; V338-V341 WeakPolarHBondContact O-CG2 3.49Å; V338-V341 PolarHBondContact O-N 3.05Å; V338-L342 HydrophobicContact CG1-CD1 4.49Å; V338-L342 WeakPolarHBondContact O-CG 3.49Å; V338-L342 PolarHBondContact O-N 3.13Å; V338-F374 HydrophobicContact CG1-CD1 4.05Å; V338-F374 HydrophobicContact CG1-CE1 3.63Å; V338-F374 HydrophobicContact CG1-CZ 4.38Å; V338-F375 HydrophobicContact CG1-CE2 3.73Å; V338-F375 HydrophobicContact CG1-CZ 3.52Å
339	K	97.8	Very high	96.8	Very high	115 Å²	115	53.3 Å²	53.3	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-37.7	176.3	-71.5	165.9	-174.4	171.4	0	111.3	L335 E336 L342 E343 F374	L335-K339 VanDerWaalsContact O-CG 3.29Å; L335-K339 WeakPolarHBondContact O-CG 3.45Å; L335-K339 PolarHBondContact O-N 2.86Å; E336-K339 PolarHBondContact O-N 3.1Å; K339-L342 PolarHBondContact O-N 2.85Å; K339-E343 PolarHBondContact O-N 2.81Å; K339-F374 HydrophobicContact CD-CE2 4.34Å; K339-F374 HydrophobicContact CG-CE2 3.78Å; K339-F374 HydrophobicContact CG-CZ 3.65Å
340	K	94.6	Very high	96.7	Very high	64 Å²	64	54.9 Å²	54.9	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-71.1	-40	-176.8	-170.2	52.3	178.6	152.2	0	112.6	N244 E336 P337 V338 L342 E343 D344	N244-K340 WeakPolarHBondContact ND2-CB 3.45Å; N244-K340 WeakPolarHBondContact ND2-CG 3.07Å; E336-K340 WeakPolarHBondContact O-CB 3.35Å; E336-K340 PolarHBondContact O-N 2.83Å; P337-K340 PolarHBondContact O-N 2.91Å; P337-K340 VanDerWaalsContact O-N 3.14Å; V338-K340 PolarHBondContact O-N 2.81Å; K340-L342 VanDerWaalsContact C-N 3.33Å; K340-L342 PolarHBondContact O-N 3.45Å; K340-E343 VanDerWaalsContact CD-OE2 3.23Å; K340-E343 WeakPolarHBondContact CD-OE2 3.17Å; K340-E343 IonicContact NZ-OE1 3.96Å; K340-E343 IonicContact NZ-OE2 3.56Å; K340-E343 PolarHBondContact NZ-OE2 2.68Å; K340-E343 PolarHBondContact O-N 3.38Å; K340-D344 WeakPolarHBondContact CE-OD1 3.15Å; K340-D344 IonicContact NZ-OD1 3.83Å; K340-D344 PolarHBondContact NZ-OD1 3.16Å; K340-D344 WeakPolarHBondContact O-CB 3.48Å; K340-D344 PolarHBondContact O-N 2.94Å
341	V	96	Very high	96.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-35.9	175.2	-64.2	0	0	0	0	112.3	L217 V228 A242 N244 P337 V338 D344 A345	L217-V341 HydrophobicContact CD1-CG2 4.01Å; V228-V341 HydrophobicContact CB-CG1 4.42Å; V228-V341 HydrophobicContact CB-CG2 4.48Å; V228-V341 HydrophobicContact CG1-CG1 4.45Å; V228-V341 HydrophobicContact CG1-CG2 3.71Å; A242-V341 HydrophobicContact CB-CB 4.18Å; A242-V341 HydrophobicContact CB-CG1 4.49Å; N244-V341 HydrophobicContact CB-CG1 3.5Å; P337-V341 PolarHBondContact O-N 2.68Å; V338-V341 WeakPolarHBondContact O-CG2 3.49Å; V338-V341 PolarHBondContact O-N 3.05Å; V341-D344 PolarHBondContact O-N 2.67Å; V341-A345 WeakPolarHBondContact O-CB 3.2Å; V341-A345 PolarHBondContact O-N 3.24Å
342	L	98.2	Very high	96.7	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-47	174	-71.8	172.1	0	0	0	111.3	L230 V338 K339 K340 A345 G346 M347 I352 F374 F375	L230-L342 HydrophobicContact CD1-CD2 4.09Å; V338-L342 HydrophobicContact CG1-CD1 4.49Å; V338-L342 WeakPolarHBondContact O-CG 3.49Å; V338-L342 PolarHBondContact O-N 3.13Å; K339-L342 PolarHBondContact O-N 2.85Å; K340-L342 VanDerWaalsContact C-N 3.33Å; K340-L342 PolarHBondContact O-N 3.45Å; L342-A345 PolarHBondContact O-N 2.86Å; L342-G346 PolarHBondContact O-N 3.5Å; L342-G346 VanDerWaalsContact O-N 3.09Å; L342-M347 CarbonylContact C-O 3.54Å; L342-M347 HydrophobicContact CD2-CB 4.49Å; L342-M347 PolarHBondContact O-N 3.29Å; L342-M347 VanDerWaalsContact O-O 3.1Å; L342-I352 HydrophobicContact CD2-CD1 3.69Å; L342-I352 HydrophobicContact CD2-CG1 3.66Å; L342-F374 HydrophobicContact CD1-CE1 3.81Å; L342-F374 HydrophobicContact CD1-CZ 4.1Å; L342-F375 HydrophobicContact CD1-CE1 4.22Å; L342-F375 HydrophobicContact CD1-CZ 4.44Å
343	E	96.9	Very high	96.6	Very high	133 Å²	133	57.1 Å²	57.1	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-59.3	-48.2	175.4	-175.2	-170.6	-166.9	0	0	111.6	K339 K340 A345 G346	K339-E343 PolarHBondContact O-N 2.81Å; K340-E343 VanDerWaalsContact CD-OE2 3.23Å; K340-E343 WeakPolarHBondContact CD-OE2 3.17Å; K340-E343 IonicContact NZ-OE1 3.96Å; K340-E343 IonicContact NZ-OE2 3.56Å; K340-E343 PolarHBondContact NZ-OE2 2.68Å; K340-E343 PolarHBondContact O-N 3.38Å; E343-A345 VanDerWaalsContact C-N 3.3Å; E343-A345 PolarHBondContact O-N 3.05Å; E343-G346 PolarHBondContact O-N 3.16Å
344	D	93.5	Very high	96.5	Very high	49 Å²	49	55.1 Å²	55.1	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-29.8	-177.1	-67.9	-20.2	0	0	0	112.4	A242 K340 V341 G346 R434	A242-D344 HydrophobicContact CB-CB 4.06Å; K340-D344 WeakPolarHBondContact CE-OD1 3.15Å; K340-D344 IonicContact NZ-OD1 3.83Å; K340-D344 PolarHBondContact NZ-OD1 3.16Å; K340-D344 WeakPolarHBondContact O-CB 3.48Å; K340-D344 PolarHBondContact O-N 2.94Å; V341-D344 PolarHBondContact O-N 2.67Å; D344-G346 VanDerWaalsContact C-N 3.31Å; D344-R434 IonicContact OD2-CZ 3.24Å; D344-R434 IonicContact OD2-NE 2.68Å; D344-R434 PolarHBondContact OD2-NE 3.39Å; D344-R434 IonicContact OD2-NH1 2.9Å; D344-R434 PolarHBondContact OD2-NH1 3.35Å; D344-R434 IonicContact OD2-NH2 2.93Å; D344-R434 PolarHBondContact OD2-NH2 2.76Å
345	A	96.3	Very high	96.6	Very high	22 Å²	22	55 Å²	55	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-79.3	-11.5	172.2	0	0	0	0	0	113.4	L230 V241 A242 V341 L342 E343 M347	L230-A345 HydrophobicContact CD1-CB 3.77Å; L230-A345 HydrophobicContact CD2-CB 4.46Å; V241-A345 HydrophobicContact CB-CB 4.46Å; V241-A345 HydrophobicContact CG1-CB 3.6Å; A242-A345 HydrophobicContact CB-CB 4.26Å; V341-A345 WeakPolarHBondContact O-CB 3.2Å; V341-A345 PolarHBondContact O-N 3.24Å; L342-A345 PolarHBondContact O-N 2.86Å; E343-A345 VanDerWaalsContact C-N 3.3Å; E343-A345 PolarHBondContact O-N 3.05Å; A345-M347 HydrophobicContact CB-CB 4.26Å; A345-M347 HydrophobicContact CB-CG 4.07Å; A345-M347 HydrophobicContact CB-SD 4.41Å; A345-M347 PolarHBondContact O-N 3.42Å
346	G	96.8	Very high	96.5	Very high	69 Å²	69	54.3 Å²	54.3	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	22.1	-171.8	0	0	0	0	0	113.6	L342 E343 D344	L342-G346 PolarHBondContact O-N 3.5Å; L342-G346 VanDerWaalsContact O-N 3.09Å; E343-G346 PolarHBondContact O-N 3.16Å; D344-G346 VanDerWaalsContact C-N 3.31Å
347	M	97.9	Very high	96.6	Very high	39 Å²	39	48.9 Å²	48.9	19%	0.192	25%	0.254	C	S	.	.			trans	-107	153.3	-177.2	-68.4	-173.6	-174.8	0	0	111.4	N215 L230 L342 A345 D351 I352	N215-M347 HydrophobicContact CB-SD 4.39Å; L230-M347 HydrophobicContact CD1-CB 4.39Å; L230-M347 HydrophobicContact CD1-SD 3.83Å; L230-M347 HydrophobicContact CD2-CE 4.07Å; L230-M347 HydrophobicContact CD2-SD 3.64Å; L230-M347 HydrophobicContact CG-SD 4.36Å; L342-M347 CarbonylContact C-O 3.54Å; L342-M347 HydrophobicContact CD2-CB 4.49Å; L342-M347 PolarHBondContact O-N 3.29Å; L342-M347 VanDerWaalsContact O-O 3.1Å; A345-M347 HydrophobicContact CB-CB 4.26Å; A345-M347 HydrophobicContact CB-CG 4.07Å; A345-M347 HydrophobicContact CB-SD 4.41Å; A345-M347 PolarHBondContact O-N 3.42Å; M347-D351 HydrophobicContact CB-CB 4.23Å; M347-D351 HydrophobicContact CG-CB 4.47Å; M347-I352 HydrophobicContact SD-CD1 4.21Å
348	K	96.8	Very high	96.8	Very high	143 Å²	143	48.2 Å²	48.2	62%	0.622	25%	0.25	S	C	*	.			trans	-100	165.9	171.3	-56.5	177.5	-177.7	170.8	0	110.1	E350 D351	K348-E350 WeakPolarHBondContact CB-OE2 3.02Å; K348-E350 PolarHBondContact O-N 3.41Å; K348-D351 WeakPolarHBondContact CB-OD2 3.48Å; K348-D351 PolarHBondContact N-OD2 2.96Å; K348-D351 WeakPolarHBondContact O-CB 3.34Å; K348-D351 PolarHBondContact O-N 2.81Å
349	K	96.2	Very high	96.7	Very high	52 Å²	52	48.7 Å²	48.7	23%	0.226	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.8	176.9	64.8	176.8	-173.9	174.7	0	112.6	D351 I352 F374 F375 E376 K377	K349-D351 VanDerWaalsContact C-N 3.3Å; K349-I352 PolarHBondContact O-N 3.15Å; K349-F374 VanDerWaalsContact CD-O 3.29Å; K349-F374 WeakPolarHBondContact CD-O 3.09Å; K349-F375 HydrophobicContact CB-CD1 3.9Å; K349-F375 HydrophobicContact CB-CE1 4.26Å; K349-E376 VanDerWaalsContact NZ-CD 3.29Å; K349-E376 IonicContact NZ-OE1 3.69Å; K349-E376 PolarHBondContact NZ-OE1 3.28Å; K349-E376 IonicContact NZ-OE2 3.46Å; K349-K377 PolarHBondContact O-NZ 2.94Å
350	E	96.4	Very high	96.5	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.7	-30.5	177.9	-62.8	76.2	-160	0	0	112.1	K348 I352 K377	K348-E350 WeakPolarHBondContact CB-OE2 3.02Å; K348-E350 PolarHBondContact O-N 3.41Å; E350-I352 VanDerWaalsContact C-N 3.26Å; E350-I352 PolarHBondContact O-N 2.85Å; E350-K377 PolarHBondContact O-NZ 3.37Å
351	D	97	Very high	96.7	Very high	73 Å²	73	42.1 Å²	42.1	39%	0.39	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-76.4	-11.2	-177.8	-54.4	-41.3	0	0	0	113	N215 M347 K348 K349	N215-D351 WeakPolarHBondContact CB-O 3.25Å; N215-D351 PolarHBondContact ND2-O 2.86Å; M347-D351 HydrophobicContact CB-CB 4.23Å; M347-D351 HydrophobicContact CG-CB 4.47Å; K348-D351 WeakPolarHBondContact CB-OD2 3.48Å; K348-D351 PolarHBondContact N-OD2 2.96Å; K348-D351 WeakPolarHBondContact O-CB 3.34Å; K348-D351 PolarHBondContact O-N 2.81Å; K349-D351 VanDerWaalsContact C-N 3.3Å
352	I	97.7	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.			trans	-87.8	109.5	179.3	-50.8	-52.2	0	0	0	110.4	N215 L217 L230 L342 M347 K349 E350 I355 F375 K377	N215-I352 CarbonylContact O-C 3.31Å; L217-I352 HydrophobicContact CB-CG2 3.82Å; L230-I352 HydrophobicContact CD1-CD1 3.43Å; L230-I352 VanDerWaalsContact CD1-CD1 3.43Å; L230-I352 HydrophobicContact CG-CD1 4Å; L342-I352 HydrophobicContact CD2-CD1 3.69Å; L342-I352 HydrophobicContact CD2-CG1 3.66Å; M347-I352 HydrophobicContact SD-CD1 4.21Å; K349-I352 PolarHBondContact O-N 3.15Å; E350-I352 VanDerWaalsContact C-N 3.26Å; E350-I352 PolarHBondContact O-N 2.85Å; I352-I355 HydrophobicContact CG2-CG1 4.4Å; I352-F375 HydrophobicContact CB-CE1 4.38Å; I352-F375 HydrophobicContact CG1-CE1 4.07Å; I352-K377 PolarHBondContact O-NZ 3.08Å
353	D	96.1	Very high	96.7	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	25%	0.248	S	C	.	.			trans	-66.7	-45.9	-177.3	-61.4	-61.8	0	0	0	112.4	K214 N215	K214-D353 WeakPolarHBondContact CA-OD2 3.21Å; N215-D353 PolarHBondContact N-OD2 3.08Å; N215-D353 WeakPolarHBondContact O-CB 3.35Å; N215-D353 PolarHBondContact O-N 2.83Å
354	E	96.1	Very high	96.7	Very high	38 Å²	38	38.7 Å²	38.7	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.1	-174	-60.9	-175.2	-142	0	0	112.3	Y205 K214 I216 L217 I356 N380	Y205-E354 VanDerWaalsContact CE2-OE2 3.28Å; Y205-E354 WeakPolarHBondContact CE2-OE2 3.42Å; Y205-E354 VanDerWaalsContact CZ-OE2 3.28Å; Y205-E354 PolarHBondContact OH-OE1 3.36Å; Y205-E354 PolarHBondContact OH-OE2 2.92Å; K214-E354 IonicContact NZ-OE1 2.81Å; K214-E354 PolarHBondContact NZ-OE1 2.91Å; I216-E354 WeakPolarHBondContact CA-O 3.41Å; I216-E354 HydrophobicContact CG2-CB 4.19Å; L217-E354 PolarHBondContact N-O 3.08Å; E354-I356 HydrophobicContact CB-CD1 4.08Å; E354-N380 PolarHBondContact OE2-ND2 2.93Å
355	I	97.8	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.5	175.7	-58.1	91.6	0	0	0	108	L217 I352 L357 F375 K377 L379 N380	L217-I355 HydrophobicContact CD2-CG2 3.99Å; L217-I355 CarbonylContact O-C 3.57Å; L217-I355 WeakPolarHBondContact O-CA 3.47Å; I352-I355 HydrophobicContact CG2-CG1 4.4Å; I355-L357 HydrophobicContact CG2-CD2 4.45Å; I355-F375 HydrophobicContact CD1-CB 3.99Å; I355-F375 HydrophobicContact CD1-CD1 4.22Å; I355-F375 HydrophobicContact CD1-CD2 4.3Å; I355-F375 HydrophobicContact CD1-CG 3.91Å; I355-F375 HydrophobicContact CG1-CD1 4.27Å; I355-F375 HydrophobicContact CG1-CD2 3.94Å; I355-F375 HydrophobicContact CG1-CE2 4.19Å; I355-F375 HydrophobicContact CG1-CG 3.99Å; I355-F375 HydrophobicContact CG1-CZ 4.48Å; I355-K377 HydrophobicContact CD1-CB 4.04Å; I355-K377 HydrophobicContact CD1-CD 4.32Å; I355-L379 HydrophobicContact CB-CD2 4.03Å; I355-L379 HydrophobicContact CG2-CD2 3.99Å; I355-N380 VanDerWaalsContact O-CB 3.24Å; I355-N380 WeakPolarHBondContact O-CB 3.46Å; I355-N380 PolarHBondContact O-N 2.82Å
356	I	97.3	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.2	-177.2	-43.6	-52.9	0	0	0	109.1	Y205 I216 L217 I218 F219 E354 V358 N380 V383	Y205-I356 HydrophobicContact CD1-CD1 4.4Å; Y205-I356 HydrophobicContact CD2-CD1 3.47Å; Y205-I356 VanDerWaalsContact CD2-CD1 3.47Å; Y205-I356 HydrophobicContact CD2-CG1 4.16Å; Y205-I356 HydrophobicContact CE1-CD1 4.46Å; Y205-I356 HydrophobicContact CE2-CD1 3.52Å; Y205-I356 HydrophobicContact CG-CD1 3.95Å; Y205-I356 HydrophobicContact CG-CG1 4.15Å; I216-I356 HydrophobicContact CD1-CG1 4.18Å; L217-I356 PolarHBondContact O-N 3.43Å; I218-I356 HydrophobicContact CD1-CB 3.62Å; I218-I356 HydrophobicContact CD1-CG1 3.7Å; I218-I356 HydrophobicContact CD1-CG2 4.16Å; F219-I356 PolarHBondContact N-O 3.48Å; E354-I356 HydrophobicContact CB-CD1 4.08Å; I356-V358 HydrophobicContact CG2-CG2 4.43Å; I356-N380 HydrophobicContact CD1-CB 3.47Å; I356-N380 VanDerWaalsContact CD1-CB 3.47Å; I356-V383 HydrophobicContact CG2-CG2 3.52Å
357	L	97.8	Very high	97	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.8	179.5	-58.4	-176.5	0	0	0	110.9	F219 I355 T362 Q368 L371 L379	F219-L357 HydrophobicContact CB-CD2 4.26Å; F219-L357 HydrophobicContact CD1-CD2 4.38Å; I355-L357 HydrophobicContact CG2-CD2 4.45Å; L357-T362 HydrophobicContact CB-CG2 4.24Å; L357-Q368 HydrophobicContact CD1-CG 4.02Å; L357-L371 HydrophobicContact CD2-CD1 3.7Å; L357-L379 HydrophobicContact CD1-CB 4.14Å; L357-L379 HydrophobicContact CD1-CD1 3.88Å; L357-L379 HydrophobicContact CD2-CD1 4.32Å; L357-L379 HydrophobicContact CG-CB 4.39Å; L357-L379 HydrophobicContact CG-CD1 4.5Å
358	V	96.9	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.4	-178.7	-175.8	0	0	0	0	109.3	A201 I218 F219 D220 L221 I356 T362 V389	A201-V358 HydrophobicContact CB-CB 4.32Å; A201-V358 HydrophobicContact CB-CG1 3.96Å; A201-V358 HydrophobicContact CB-CG2 3.42Å; A201-V358 VanDerWaalsContact CB-CG2 3.42Å; I218-V358 HydrophobicContact CG2-CB 4.45Å; I218-V358 HydrophobicContact CG2-CG2 3.72Å; F219-V358 PolarHBondContact O-N 3.17Å; D220-V358 CarbonylContact C-O 3.54Å; D220-V358 WeakPolarHBondContact CA-O 3.44Å; D220-V358 HydrophobicContact CB-CB 4.06Å; D220-V358 HydrophobicContact CB-CG1 4.37Å; L221-V358 PolarHBondContact N-O 3.02Å; I356-V358 HydrophobicContact CG2-CG2 4.43Å; V358-T362 WeakPolarHBondContact O-CG2 3.12Å; V358-V389 HydrophobicContact CG1-CG2 3.54Å
359	G	95.9	Very high	97.1	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	17%	0.173	C	C	.	.	S	Bend	trans	85.7	141.1	-178.8	0	0	0	0	0	113.7	L221 S361 T362 P385	L221-G359 CarbonylContact O-C 3.6Å; L221-G359 VanDerWaalsContact O-C 3.31Å; L221-G359 WeakPolarHBondContact O-CA 3.36Å; G359-S361 PolarHBondContact O-N 2.85Å; G359-S361 VanDerWaalsContact O-N 3.1Å; G359-T362 WeakPolarHBondContact O-CB 3.32Å; G359-T362 PolarHBondContact O-N 3.44Å; G359-T362 PolarHBondContact O-OG1 2.7Å; G359-P385 PolarHBondContact N-O 3.08Å
360	G	95	Very high	97.2	Very high	30 Å²	30	31.4 Å²	31.4	31%	0.309	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.1	-24.6	-171.9	0	0	0	0	0	115.5	T362 Q363 D386	G360-T362 VanDerWaalsContact C-N 3.25Å; G360-T362 PolarHBondContact O-N 2.93Å; G360-Q363 VanDerWaalsContact O-CB 3.32Å; G360-Q363 WeakPolarHBondContact O-CB 3.14Å; G360-Q363 WeakPolarHBondContact O-CG 3.01Å; G360-Q363 PolarHBondContact O-N 2.81Å; G360-D386 WeakPolarHBondContact CA-OD1 3.22Å; G360-D386 PolarHBondContact N-OD1 2.72Å
361	S	97.6	Very high	97.2	Very high	10 Å²	10	26.3 Å²	26.3	7%	0.07	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-74.5	-15.5	178.8	-60.6	0	0	0	0	112.9	L221 G222 G251 G359 Q363 I364	L221-S361 VanDerWaalsContact O-CB 3.26Å; L221-S361 WeakPolarHBondContact O-CB 3.48Å; L221-S361 PolarHBondContact O-N 3.08Å; G222-S361 WeakPolarHBondContact O-CB 3.38Å; G222-S361 PolarHBondContact O-OG 3.38Å; G251-S361 VanDerWaalsContact CA-OG 3.26Å; G251-S361 WeakPolarHBondContact CA-OG 3.14Å; G251-S361 PolarHBondContact N-OG 3.41Å; G359-S361 PolarHBondContact O-N 2.85Å; G359-S361 VanDerWaalsContact O-N 3.1Å; S361-Q363 PolarHBondContact O-N 3.2Å; S361-I364 WeakPolarHBondContact O-CB 3.5Å; S361-I364 WeakPolarHBondContact O-CD1 3.42Å; S361-I364 VanDerWaalsContact O-CG1 3.27Å; S361-I364 WeakPolarHBondContact O-CG1 3.41Å; S361-I364 PolarHBondContact O-N 3.17Å
362	T	97.4	Very high	97.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67.7	-14.3	169.9	63.8	0	0	0	0	113.3	F219 L221 L357 V358 G359 G360 I364 Q368	F219-T362 HydrophobicContact CD1-CG2 3.84Å; F219-T362 HydrophobicContact CE1-CG2 4.22Å; L221-T362 HydrophobicContact CB-CG2 3.73Å; L357-T362 HydrophobicContact CB-CG2 4.24Å; V358-T362 WeakPolarHBondContact O-CG2 3.12Å; G359-T362 WeakPolarHBondContact O-CB 3.32Å; G359-T362 PolarHBondContact O-N 3.44Å; G359-T362 PolarHBondContact O-OG1 2.7Å; G360-T362 VanDerWaalsContact C-N 3.25Å; G360-T362 PolarHBondContact O-N 2.93Å; T362-I364 PolarHBondContact O-N 2.85Å; T362-Q368 VanDerWaalsContact O-CG 3.25Å; T362-Q368 WeakPolarHBondContact O-CG 3.39Å; T362-Q368 PolarHBondContact O-NE2 2.89Å
363	Q	96.5	Very high	97.3	Very high	67 Å²	67	30.5 Å²	30.5	31%	0.313	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-73.9	-7.5	174.5	-58	-176.2	52	0	0	112.6	S296 G360 S361 P365 P385 D386	S296-Q363 WeakPolarHBondContact CB-O 3.13Å; S296-Q363 PolarHBondContact OG-O 3.13Å; G360-Q363 VanDerWaalsContact O-CB 3.32Å; G360-Q363 WeakPolarHBondContact O-CB 3.14Å; G360-Q363 WeakPolarHBondContact O-CG 3.01Å; G360-Q363 PolarHBondContact O-N 2.81Å; S361-Q363 PolarHBondContact O-N 3.2Å; Q363-P365 WeakPolarHBondContact O-CD 3.33Å; Q363-P385 HydrophobicContact CG-CG 4.36Å; Q363-D386 PolarHBondContact NE2-OD2 3.36Å; Q363-D386 VanDerWaalsContact NE2-OD2 3.14Å
364	I	97.8	Very high	97.3	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.154	C	C	.	.			trans	-67.9	120.7	175.7	-65.4	169.3	0	0	0	109.3	F254 F323 F331 S361 T362 K366 V367 Q368	F254-I364 HydrophobicContact CD2-CD1 3.61Å; F254-I364 HydrophobicContact CE2-CD1 3.76Å; F323-I364 HydrophobicContact CE1-CD1 4.15Å; F323-I364 HydrophobicContact CE1-CG1 4.37Å; F323-I364 HydrophobicContact CE1-CG2 4Å; F323-I364 HydrophobicContact CZ-CD1 4.07Å; F331-I364 HydrophobicContact CE1-CD1 4.15Å; F331-I364 HydrophobicContact CE1-CG2 4.46Å; F331-I364 HydrophobicContact CE2-CG2 4.25Å; F331-I364 HydrophobicContact CZ-CD1 4.3Å; F331-I364 HydrophobicContact CZ-CG2 3.92Å; S361-I364 WeakPolarHBondContact O-CB 3.5Å; S361-I364 WeakPolarHBondContact O-CD1 3.42Å; S361-I364 VanDerWaalsContact O-CG1 3.27Å; S361-I364 WeakPolarHBondContact O-CG1 3.41Å; S361-I364 PolarHBondContact O-N 3.17Å; T362-I364 PolarHBondContact O-N 2.85Å; I364-K366 VanDerWaalsContact C-N 3.26Å; I364-K366 HydrophobicContact CG2-CB 4.34Å; I364-K366 PolarHBondContact O-N 2.89Å; I364-K366 VanDerWaalsContact O-N 3.16Å; I364-V367 HydrophobicContact CB-CB 4.36Å; I364-V367 HydrophobicContact CB-CG2 3.97Å; I364-V367 HydrophobicContact CG2-CG2 4.04Å; I364-V367 PolarHBondContact O-N 3.44Å; I364-V367 VanDerWaalsContact O-N 3.08Å; I364-Q368 PolarHBondContact O-N 2.89Å
365	P	97.4	Very high	97.4	Very high	34 Å²	34	27.1 Å²	27.1	22%	0.221	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-37.8	-175.4	-30.4	36.8	0	0	0	113.9	S296 Q363 V367 Q368 E369	S296-P365 WeakPolarHBondContact O-CG 3.23Å; Q363-P365 WeakPolarHBondContact O-CD 3.33Å; P365-V367 PolarHBondContact O-N 2.85Å; P365-Q368 PolarHBondContact O-N 2.85Å; P365-E369 WeakPolarHBondContact O-CB 3.22Å; P365-E369 PolarHBondContact O-N 2.94Å
366	K	97.9	Very high	97.4	Very high	35 Å²	35	34 Å²	34	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-36.3	179.8	-168.4	55	172.4	-177.7	0	113.5	E324 I328 F331 I364 E369 L370	E324-K366 HydrophobicContact CG-CB 3.74Å; E324-K366 HydrophobicContact CG-CG 4.09Å; I328-K366 HydrophobicContact CD1-CG 4.42Å; F331-K366 HydrophobicContact CD2-CB 4.04Å; F331-K366 HydrophobicContact CD2-CG 3.82Å; F331-K366 HydrophobicContact CE2-CB 4.08Å; F331-K366 HydrophobicContact CE2-CG 4.27Å; I364-K366 VanDerWaalsContact C-N 3.26Å; I364-K366 HydrophobicContact CG2-CB 4.34Å; I364-K366 PolarHBondContact O-N 2.89Å; I364-K366 VanDerWaalsContact O-N 3.16Å; K366-E369 HydrophobicContact CD-CB 4.49Å; K366-E369 VanDerWaalsContact CD-OE2 3.28Å; K366-E369 WeakPolarHBondContact CD-OE2 3.36Å; K366-E369 IonicContact NZ-OE1 3.33Å; K366-E369 PolarHBondContact NZ-OE1 3.49Å; K366-E369 IonicContact NZ-OE2 2.98Å; K366-E369 PolarHBondContact NZ-OE2 3.02Å; K366-E369 PolarHBondContact O-N 2.91Å; K366-L370 VanDerWaalsContact O-CG 3.29Å; K366-L370 WeakPolarHBondContact O-CG 3.32Å; K366-L370 PolarHBondContact O-N 3.44Å
367	V	97.9	Very high	97.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-46.1	175.6	173.9	0	0	0	0	109.5	F219 L221 F331 I364 P365 E369 L370 L371	F219-V367 HydrophobicContact CE1-CG1 3.67Å; F219-V367 HydrophobicContact CZ-CG1 3.96Å; L221-V367 HydrophobicContact CD2-CG1 4.06Å; L221-V367 HydrophobicContact CD2-CG2 4.05Å; F331-V367 HydrophobicContact CD1-CG2 3.9Å; F331-V367 HydrophobicContact CE1-CG2 4.23Å; F331-V367 HydrophobicContact CG-CG2 4.24Å; I364-V367 HydrophobicContact CB-CB 4.36Å; I364-V367 HydrophobicContact CB-CG2 3.97Å; I364-V367 HydrophobicContact CG2-CG2 4.04Å; I364-V367 PolarHBondContact O-N 3.44Å; I364-V367 VanDerWaalsContact O-N 3.08Å; P365-V367 PolarHBondContact O-N 2.85Å; V367-E369 PolarHBondContact O-N 2.71Å; V367-L370 PolarHBondContact O-N 2.99Å; V367-L371 HydrophobicContact CG1-CD1 4.33Å; V367-L371 WeakPolarHBondContact O-CG 3.44Å; V367-L371 PolarHBondContact O-N 3.04Å
368	Q	97.8	Very high	97.2	Very high	40 Å²	40	43.5 Å²	43.5	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-39.8	176.4	-61.1	-174	10.6	0	0	112.8	L357 T362 I364 P365 L370 L371 R372 L379	L357-Q368 HydrophobicContact CD1-CG 4.02Å; T362-Q368 VanDerWaalsContact O-CG 3.25Å; T362-Q368 WeakPolarHBondContact O-CG 3.39Å; T362-Q368 PolarHBondContact O-NE2 2.89Å; I364-Q368 PolarHBondContact O-N 2.89Å; P365-Q368 PolarHBondContact O-N 2.85Å; Q368-L370 VanDerWaalsContact C-N 3.35Å; Q368-L371 PolarHBondContact O-N 2.93Å; Q368-R372 WeakPolarHBondContact O-CB 3.4Å; Q368-R372 WeakPolarHBondContact O-CG 3.35Å; Q368-R372 PolarHBondContact O-N 2.73Å; Q368-R372 VanDerWaalsContact OE1-NH2 3.15Å; Q368-L379 HydrophobicContact CB-CD1 3.65Å; Q368-L379 HydrophobicContact CG-CD1 3.95Å
369	E	97.8	Very high	97.2	Very high	89 Å²	89	44 Å²	44	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-45.5	175	-173.3	-158.8	133.5	0	0	111.3	P365 K366 V367 L371 R372 S373	P365-E369 WeakPolarHBondContact O-CB 3.22Å; P365-E369 PolarHBondContact O-N 2.94Å; K366-E369 HydrophobicContact CD-CB 4.49Å; K366-E369 VanDerWaalsContact CD-OE2 3.28Å; K366-E369 WeakPolarHBondContact CD-OE2 3.36Å; K366-E369 IonicContact NZ-OE1 3.33Å; K366-E369 PolarHBondContact NZ-OE1 3.49Å; K366-E369 IonicContact NZ-OE2 2.98Å; K366-E369 PolarHBondContact NZ-OE2 3.02Å; K366-E369 PolarHBondContact O-N 2.91Å; V367-E369 PolarHBondContact O-N 2.71Å; E369-L371 PolarHBondContact O-N 3.45Å; E369-R372 PolarHBondContact O-N 2.82Å; E369-S373 VanDerWaalsContact O-CB 3.29Å; E369-S373 WeakPolarHBondContact O-CB 3.46Å; E369-S373 PolarHBondContact O-N 3.23Å; E369-S373 PolarHBondContact O-OG 2.83Å
370	L	98.1	Very high	97.1	Very high	22 Å²	22	45 Å²	45	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177.5	-71.9	172.9	0	0	0	111.6	F331 L332 L335 K366 V367 Q368 S373 F374	F331-L370 HydrophobicContact CB-CD1 3.76Å; L332-L370 HydrophobicContact CD2-CD1 4.31Å; L332-L370 HydrophobicContact CD2-CD2 3.93Å; L335-L370 HydrophobicContact CD1-CB 4.5Å; K366-L370 VanDerWaalsContact O-CG 3.29Å; K366-L370 WeakPolarHBondContact O-CG 3.32Å; K366-L370 PolarHBondContact O-N 3.44Å; V367-L370 PolarHBondContact O-N 2.99Å; Q368-L370 VanDerWaalsContact C-N 3.35Å; L370-S373 PolarHBondContact O-N 2.89Å; L370-F374 VanDerWaalsContact O-CB 3.29Å; L370-F374 WeakPolarHBondContact O-CB 3.09Å; L370-F374 PolarHBondContact O-N 3.06Å
371	L	97.9	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-47.3	177.1	-71.3	172.7	0	0	0	112.6	F219 L335 L357 V367 Q368 E369 S373 F374 F375 L379	F219-L371 HydrophobicContact CB-CD1 4.42Å; F219-L371 HydrophobicContact CD1-CD1 3.81Å; F219-L371 HydrophobicContact CD2-CD1 3.93Å; F219-L371 HydrophobicContact CD2-CD2 3.69Å; F219-L371 HydrophobicContact CD2-CG 4.39Å; F219-L371 HydrophobicContact CE1-CD1 3.94Å; F219-L371 HydrophobicContact CE2-CD1 4.04Å; F219-L371 HydrophobicContact CE2-CD2 3.64Å; F219-L371 HydrophobicContact CE2-CG 4.24Å; F219-L371 HydrophobicContact CG-CD1 3.79Å; F219-L371 HydrophobicContact CG-CD2 4.37Å; F219-L371 HydrophobicContact CZ-CD1 4.04Å; F219-L371 HydrophobicContact CZ-CD2 4.3Å; F219-L371 HydrophobicContact CZ-CG 4.44Å; L335-L371 HydrophobicContact CD2-CD2 4.27Å; L357-L371 HydrophobicContact CD2-CD1 3.7Å; V367-L371 HydrophobicContact CG1-CD1 4.33Å; V367-L371 WeakPolarHBondContact O-CG 3.44Å; V367-L371 PolarHBondContact O-N 3.04Å; Q368-L371 PolarHBondContact O-N 2.93Å; E369-L371 PolarHBondContact O-N 3.45Å; L371-S373 VanDerWaalsContact C-N 3.26Å; L371-S373 PolarHBondContact O-N 3.35Å; L371-F374 PolarHBondContact O-N 3.3Å; L371-F375 HydrophobicContact CD2-CD2 4.4Å; L371-F375 HydrophobicContact CD2-CE2 4.12Å; L371-F375 PolarHBondContact O-N 2.84Å; L371-L379 HydrophobicContact CB-CD1 4.16Å; L371-L379 HydrophobicContact CB-CD2 3.86Å
372	R	97.9	Very high	96.2	Very high	85 Å²	85	51.9 Å²	51.9	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-41.8	174.5	-72.4	-171.5	-168.1	91.5	7.4	111.2	Q368 E369 E376 E378 L379	Q368-R372 WeakPolarHBondContact O-CB 3.4Å; Q368-R372 WeakPolarHBondContact O-CG 3.35Å; Q368-R372 PolarHBondContact O-N 2.73Å; Q368-R372 VanDerWaalsContact OE1-NH2 3.15Å; E369-R372 PolarHBondContact O-N 2.82Å; R372-E376 WeakPolarHBondContact O-CA 3.4Å; R372-E376 PolarHBondContact O-N 3.28Å; R372-E378 IonicContact NE-OE2 2.73Å; R372-E378 PolarHBondContact NE-OE2 3.17Å; R372-L379 HydrophobicContact CG-CD1 4.02Å; R372-L379 HydrophobicContact CG-CD2 4.29Å; R372-L379 HydrophobicContact CG-CG 3.8Å
373	S	97.5	Very high	96	Very high	77 Å²	77	52.9 Å²	52.9	54%	0.538	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-36.3	178.9	-57.2	0	0	0	0	112.5	E369 L370 L371	E369-S373 VanDerWaalsContact O-CB 3.29Å; E369-S373 WeakPolarHBondContact O-CB 3.46Å; E369-S373 PolarHBondContact O-N 3.23Å; E369-S373 PolarHBondContact O-OG 2.83Å; L370-S373 PolarHBondContact O-N 2.89Å; L371-S373 VanDerWaalsContact C-N 3.26Å; L371-S373 PolarHBondContact O-N 3.35Å
374	F	97.9	Very high	96	Very high	48 Å²	48	53 Å²	53	21%	0.211	29%	0.285	C	S	.	.	H	α-helix	trans	-74.6	-46.5	-179.4	-179.5	-97.9	0	0	0	112.4	L335 V338 K339 L342 K349 L370 L371	L335-F374 HydrophobicContact CD2-CB 4.18Å; L335-F374 HydrophobicContact CD2-CG 4.25Å; V338-F374 HydrophobicContact CG1-CD1 4.05Å; V338-F374 HydrophobicContact CG1-CE1 3.63Å; V338-F374 HydrophobicContact CG1-CZ 4.38Å; K339-F374 HydrophobicContact CD-CE2 4.34Å; K339-F374 HydrophobicContact CG-CE2 3.78Å; K339-F374 HydrophobicContact CG-CZ 3.65Å; L342-F374 HydrophobicContact CD1-CE1 3.81Å; L342-F374 HydrophobicContact CD1-CZ 4.1Å; K349-F374 VanDerWaalsContact CD-O 3.29Å; K349-F374 WeakPolarHBondContact CD-O 3.09Å; L370-F374 VanDerWaalsContact O-CB 3.29Å; L370-F374 WeakPolarHBondContact O-CB 3.09Å; L370-F374 PolarHBondContact O-N 3.06Å; L371-F374 PolarHBondContact O-N 3.3Å
375	F	97.7	Very high	95.9	Very high	3 Å²	3	54 Å²	54	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-86.1	-18.9	-178.5	-76	-77.5	0	0	0	114.1	L217 V338 L342 K349 I352 I355 L371 K377	L217-F375 HydrophobicContact CD1-CZ 3.82Å; L217-F375 HydrophobicContact CD2-CE2 4.36Å; L217-F375 HydrophobicContact CD2-CZ 4.23Å; V338-F375 HydrophobicContact CG1-CE2 3.73Å; V338-F375 HydrophobicContact CG1-CZ 3.52Å; L342-F375 HydrophobicContact CD1-CE1 4.22Å; L342-F375 HydrophobicContact CD1-CZ 4.44Å; K349-F375 HydrophobicContact CB-CD1 3.9Å; K349-F375 HydrophobicContact CB-CE1 4.26Å; I352-F375 HydrophobicContact CB-CE1 4.38Å; I352-F375 HydrophobicContact CG1-CE1 4.07Å; I355-F375 HydrophobicContact CD1-CB 3.99Å; I355-F375 HydrophobicContact CD1-CD1 4.22Å; I355-F375 HydrophobicContact CD1-CD2 4.3Å; I355-F375 HydrophobicContact CD1-CG 3.91Å; I355-F375 HydrophobicContact CG1-CD1 4.27Å; I355-F375 HydrophobicContact CG1-CD2 3.94Å; I355-F375 HydrophobicContact CG1-CE2 4.19Å; I355-F375 HydrophobicContact CG1-CG 3.99Å; I355-F375 HydrophobicContact CG1-CZ 4.48Å; L371-F375 HydrophobicContact CD2-CD2 4.4Å; L371-F375 HydrophobicContact CD2-CE2 4.12Å; L371-F375 PolarHBondContact O-N 2.84Å; F375-K377 HydrophobicContact CB-CB 4.26Å; F375-K377 WeakPolarHBondContact O-CG 3.44Å; F375-K377 PolarHBondContact O-N 3.45Å
376	E	97.1	Very high	95.8	Very high	145 Å²	145	54.9 Å²	54.9	68%	0.678	30%	0.295	S	S	*	.			trans	56.4	34.7	-173.3	-60.7	168.5	-151	0	0	112.2	K349 R372	K349-E376 VanDerWaalsContact NZ-CD 3.29Å; K349-E376 IonicContact NZ-OE1 3.69Å; K349-E376 PolarHBondContact NZ-OE1 3.28Å; K349-E376 IonicContact NZ-OE2 3.46Å; R372-E376 WeakPolarHBondContact O-CA 3.4Å; R372-E376 PolarHBondContact O-N 3.28Å
377	K	95.8	Very high	95.8	Very high	59 Å²	59	54.6 Å²	54.6	26%	0.257	29%	0.294	S	S	.	.	S	Bend	trans	-136	156.4	-175.7	-71.2	174.3	179.5	173.7	0	110.9	K349 E350 I352 I355 F375	K349-K377 PolarHBondContact O-NZ 2.94Å; E350-K377 PolarHBondContact O-NZ 3.37Å; I352-K377 PolarHBondContact O-NZ 3.08Å; I355-K377 HydrophobicContact CD1-CB 4.04Å; I355-K377 HydrophobicContact CD1-CD 4.32Å; F375-K377 HydrophobicContact CB-CB 4.26Å; F375-K377 WeakPolarHBondContact O-CG 3.44Å; F375-K377 PolarHBondContact O-N 3.45Å
378	E	96.1	Very high	95.7	Very high	149 Å²	149	54.8 Å²	54.8	70%	0.696	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-72	144.7	169.5	-72.3	-56.2	145.4	0	0	111	R372	R372-E378 IonicContact NE-OE2 2.73Å; R372-E378 PolarHBondContact NE-OE2 3.17Å
379	L	96.9	Very high	95.7	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.063	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-86.7	139.4	179.4	-52.1	178.1	0	0	0	109.4	I355 L357 Q368 L371 R372 T381	I355-L379 HydrophobicContact CB-CD2 4.03Å; I355-L379 HydrophobicContact CG2-CD2 3.99Å; L357-L379 HydrophobicContact CD1-CB 4.14Å; L357-L379 HydrophobicContact CD1-CD1 3.88Å; L357-L379 HydrophobicContact CD2-CD1 4.32Å; L357-L379 HydrophobicContact CG-CB 4.39Å; L357-L379 HydrophobicContact CG-CD1 4.5Å; Q368-L379 HydrophobicContact CB-CD1 3.65Å; Q368-L379 HydrophobicContact CG-CD1 3.95Å; L371-L379 HydrophobicContact CB-CD1 4.16Å; L371-L379 HydrophobicContact CB-CD2 3.86Å; R372-L379 HydrophobicContact CG-CD1 4.02Å; R372-L379 HydrophobicContact CG-CD2 4.29Å; R372-L379 HydrophobicContact CG-CG 3.8Å; L379-T381 PolarHBondContact O-N 3.42Å
380	N	93.9	Very high	95.7	Very high	31 Å²	31	48.9 Å²	48.9	17%	0.166	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-75.5	127	178.3	-172	-60.8	0	0	0	110.3	Y205 E354 I355 I356 G382	Y205-N380 WeakPolarHBondContact CE2-ND2 3.19Å; E354-N380 PolarHBondContact OE2-ND2 2.93Å; I355-N380 VanDerWaalsContact O-CB 3.24Å; I355-N380 WeakPolarHBondContact O-CB 3.46Å; I355-N380 PolarHBondContact O-N 2.82Å; I356-N380 HydrophobicContact CD1-CB 3.47Å; I356-N380 VanDerWaalsContact CD1-CB 3.47Å; N380-G382 WeakPolarHBondContact OD1-CA 3.37Å; N380-G382 PolarHBondContact OD1-N 3.19Å
381	T	86.2	Confident	95.7	Very high	119 Å²	119	51.1 Å²	51.1	73%	0.73	28%	0.276	S	S	*	.			trans	-115.9	21	177.1	65.6	0	0	0	0	112.5	L379 V383	L379-T381 PolarHBondContact O-N 3.42Å; T381-V383 VanDerWaalsContact C-N 3.32Å
382	G	86.9	Confident	95.6	Very high	66 Å²	66	51 Å²	51	68%	0.68	28%	0.275	S	S	*	.	S	Bend	trans	-77.5	-15.2	-175	0	0	0	0	0	114.1	N380	N380-G382 WeakPolarHBondContact OD1-CA 3.37Å; N380-G382 PolarHBondContact OD1-N 3.19Å
383	V	93.1	Very high	95.6	Very high	23 Å²	23	47 Å²	47	14%	0.139	26%	0.26	C	S	.	.	S	Bend	trans	-111.7	148.3	174.3	-60.4	0	0	0	0	110.3	Y205 I356 T381 P385 A388	Y205-V383 HydrophobicContact CD2-CG1 4.5Å; I356-V383 HydrophobicContact CG2-CG2 3.52Å; T381-V383 VanDerWaalsContact C-N 3.32Å; V383-P385 WeakPolarHBondContact O-CD 3.39Å; V383-A388 HydrophobicContact CB-CB 4.19Å; V383-A388 HydrophobicContact CG2-CB 4.25Å
384	N	95.7	Very high	95.6	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.364	24%	0.235	S	C	.	.			trans	-75.6	116.2	170.3	-178.7	-15.7	0	0	0	108.7	D386 E387 A388	N384-D386 PolarHBondContact O-N 3.41Å; N384-D386 VanDerWaalsContact O-N 3.17Å; N384-D386 PolarHBondContact OD1-N 3.24Å; N384-D386 VanDerWaalsContact OD1-N 3.09Å; N384-E387 HydrophobicContact CB-CB 4.13Å; N384-E387 HydrophobicContact CB-CG 4.45Å; N384-E387 WeakPolarHBondContact ND2-CG 3.33Å; N384-E387 PolarHBondContact ND2-OE1 3.13Å; N384-E387 PolarHBondContact ND2-OE2 2.97Å; N384-E387 PolarHBondContact O-N 3.03Å; N384-E387 VanDerWaalsContact O-N 3.14Å; N384-A388 WeakPolarHBondContact O-CB 3.37Å; N384-A388 PolarHBondContact O-N 3.48Å
385	P	96.3	Very high	95.5	Very high	28 Å²	28	41 Å²	41	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.1	-174.4	25.1	-35.3	0	0	0	113.4	G359 Q363 V383	G359-P385 PolarHBondContact N-O 3.08Å; Q363-P385 HydrophobicContact CG-CG 4.36Å; V383-P385 WeakPolarHBondContact O-CD 3.39Å
386	D	95.7	Very high	95.3	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.6	-177.8	-62.7	-43.1	0	0	0	113	I58 G360 Q363 N384	I58-D386 HydrophobicContact CG2-CB 4.22Å; G360-D386 WeakPolarHBondContact CA-OD1 3.22Å; G360-D386 PolarHBondContact N-OD1 2.72Å; Q363-D386 PolarHBondContact NE2-OD2 3.36Å; Q363-D386 VanDerWaalsContact NE2-OD2 3.14Å; N384-D386 PolarHBondContact O-N 3.41Å; N384-D386 VanDerWaalsContact O-N 3.17Å; N384-D386 PolarHBondContact OD1-N 3.24Å; N384-D386 VanDerWaalsContact OD1-N 3.09Å
387	E	97.1	Very high	95.2	Very high	30 Å²	30	34.2 Å²	34.2	14%	0.14	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-19.5	-175.7	-63.2	172.6	-167.1	0	0	113	I49 R57 N384 V389 A390 Y391	I49-E387 HydrophobicContact CG1-CB 4.39Å; I49-E387 HydrophobicContact CG2-CG 4.39Å; R57-E387 WeakPolarHBondContact CD-OE1 3.28Å; R57-E387 IonicContact NH1-OE1 2.78Å; R57-E387 IonicContact NH1-OE2 2.91Å; R57-E387 PolarHBondContact NH1-OE2 3Å; N384-E387 HydrophobicContact CB-CB 4.13Å; N384-E387 HydrophobicContact CB-CG 4.45Å; N384-E387 WeakPolarHBondContact ND2-CG 3.33Å; N384-E387 PolarHBondContact ND2-OE1 3.13Å; N384-E387 PolarHBondContact ND2-OE2 2.97Å; N384-E387 PolarHBondContact O-N 3.03Å; N384-E387 VanDerWaalsContact O-N 3.14Å; E387-V389 VanDerWaalsContact C-N 3.29Å; E387-V389 PolarHBondContact O-N 2.94Å; E387-A390 PolarHBondContact O-N 2.86Å; E387-Y391 WeakPolarHBondContact O-CB 3.42Å; E387-Y391 PolarHBondContact O-N 2.85Å
388	A	97	Very high	95.1	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-38.8	-170.7	0	0	0	0	0	113.8	A201 A204 V383 N384 Y391 G392	A201-A388 HydrophobicContact CB-CB 4.21Å; A204-A388 HydrophobicContact CB-CB 4.31Å; A204-A388 VanDerWaalsContact CB-O 3.27Å; A204-A388 WeakPolarHBondContact CB-O 3.47Å; V383-A388 HydrophobicContact CB-CB 4.19Å; V383-A388 HydrophobicContact CG2-CB 4.25Å; N384-A388 WeakPolarHBondContact O-CB 3.37Å; N384-A388 PolarHBondContact O-N 3.48Å; A388-Y391 WeakPolarHBondContact O-CB 3.31Å; A388-Y391 PolarHBondContact O-N 3.37Å; A388-G392 PolarHBondContact O-N 3.41Å
389	V	97.9	Very high	94.8	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-52.5	179.6	175.5	0	0	0	0	110.9	D31 T167 E197 A200 A201 V358 E387 Y391 G392 A393	D31-V389 HydrophobicContact CB-CB 4.19Å; D31-V389 HydrophobicContact CB-CG1 3.79Å; T167-V389 HydrophobicContact CG2-CG1 3.39Å; T167-V389 WeakPolarHBondContact OG1-CG1 3.39Å; E197-V389 HydrophobicContact CB-CG1 4.16Å; E197-V389 HydrophobicContact CB-CG2 4.29Å; E197-V389 HydrophobicContact CG-CG1 3.85Å; A200-V389 HydrophobicContact CB-CG1 4.41Å; A200-V389 WeakPolarHBondContact CB-O 3.35Å; A201-V389 HydrophobicContact CB-CG2 4.38Å; V358-V389 HydrophobicContact CG1-CG2 3.54Å; E387-V389 VanDerWaalsContact C-N 3.29Å; E387-V389 PolarHBondContact O-N 2.94Å; V389-Y391 VanDerWaalsContact C-N 3.25Å; V389-Y391 PolarHBondContact O-N 2.96Å; V389-G392 PolarHBondContact O-N 3.36Å; V389-A393 PolarHBondContact O-N 2.78Å
390	A	98.2	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-35.4	176.8	0	0	0	0	0	111.7	D31 C38 I49 E387 A393 A394	D31-A390 HydrophobicContact CB-CB 3.88Å; C38-A390 HydrophobicContact CB-CB 3.67Å; C38-A390 WeakPolarHBondContact SG-CB 3.36Å; I49-A390 HydrophobicContact CD1-CB 4.38Å; E387-A390 PolarHBondContact O-N 2.86Å; A390-A393 PolarHBondContact O-N 3.45Å; A390-A394 WeakPolarHBondContact O-CB 3.49Å; A390-A394 PolarHBondContact O-N 3.36Å
391	Y	97.4	Very high	94.2	Very high	69 Å²	69	27.4 Å²	27.4	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-59.3	-53.1	175	-169.3	-73.6	0	0	0	110.9	V47 I49 A204 L207 E387 A388 V389 A393 A394 V395	V47-Y391 HydrophobicContact CB-CD1 4.27Å; V47-Y391 HydrophobicContact CB-CD2 3.71Å; V47-Y391 HydrophobicContact CB-CE1 4.02Å; V47-Y391 HydrophobicContact CB-CE2 3.44Å; V47-Y391 VanDerWaalsContact CB-CE2 3.44Å; V47-Y391 HydrophobicContact CB-CG 4.11Å; V47-Y391 HydrophobicContact CG1-CD1 4.46Å; V47-Y391 HydrophobicContact CG1-CD2 3.61Å; V47-Y391 HydrophobicContact CG1-CE2 3.9Å; V47-Y391 HydrophobicContact CG1-CG 3.92Å; V47-Y391 HydrophobicContact CG2-CD1 3.87Å; V47-Y391 HydrophobicContact CG2-CD2 4.23Å; V47-Y391 HydrophobicContact CG2-CE1 3.59Å; V47-Y391 HydrophobicContact CG2-CE2 4Å; V47-Y391 HydrophobicContact CG2-CG 4.17Å; I49-Y391 HydrophobicContact CD1-CD2 4.4Å; A204-Y391 HydrophobicContact CB-CD1 3.56Å; A204-Y391 HydrophobicContact CB-CE1 4.4Å; A204-Y391 HydrophobicContact CB-CG 4.07Å; L207-Y391 HydrophobicContact CD1-CE1 3.86Å; E387-Y391 WeakPolarHBondContact O-CB 3.42Å; E387-Y391 PolarHBondContact O-N 2.85Å; A388-Y391 WeakPolarHBondContact O-CB 3.31Å; A388-Y391 PolarHBondContact O-N 3.37Å; V389-Y391 VanDerWaalsContact C-N 3.25Å; V389-Y391 PolarHBondContact O-N 2.96Å; Y391-A393 VanDerWaalsContact C-N 3.33Å; Y391-A393 PolarHBondContact O-N 2.9Å; Y391-A394 WeakPolarHBondContact O-CB 3.14Å; Y391-A394 PolarHBondContact O-N 3.35Å; Y391-A394 VanDerWaalsContact O-N 3.13Å; Y391-V395 HydrophobicContact CD1-CG2 4.02Å; Y391-V395 HydrophobicContact CE1-CG2 3.94Å; Y391-V395 WeakPolarHBondContact O-CG2 3.43Å; Y391-V395 PolarHBondContact O-N 3.17Å
392	G	96.2	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-38.6	177.5	0	0	0	0	0	113.7	A200 A388 V389 A394 V395 Q396	A200-G392 VanDerWaalsContact O-CA 3.25Å; A200-G392 WeakPolarHBondContact O-CA 3.35Å; A388-G392 PolarHBondContact O-N 3.41Å; V389-G392 PolarHBondContact O-N 3.36Å; G392-A394 VanDerWaalsContact C-N 3.3Å; G392-A394 PolarHBondContact O-N 2.85Å; G392-V395 WeakPolarHBondContact O-CB 3.38Å; G392-V395 PolarHBondContact O-N 3.38Å; G392-Q396 PolarHBondContact O-N 2.85Å
393	A	97.6	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-39.3	173.9	0	0	0	0	0	111.8	V165 T167 I195 V389 A390 Y391 Q396 G397	V165-A393 HydrophobicContact CG1-CB 4.3Å; T167-A393 HydrophobicContact CG2-CB 3.65Å; I195-A393 HydrophobicContact CG2-CB 4.49Å; V389-A393 PolarHBondContact O-N 2.78Å; A390-A393 PolarHBondContact O-N 3.45Å; Y391-A393 VanDerWaalsContact C-N 3.33Å; Y391-A393 PolarHBondContact O-N 2.9Å; A393-Q396 PolarHBondContact O-N 3.31Å; A393-G397 PolarHBondContact O-N 2.8Å
394	A	97	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-39.8	178.1	0	0	0	0	0	111.7	F42 V47 A390 Y391 G392 G397 G398	F42-A394 WeakPolarHBondContact CB-O 3.33Å; V47-A394 HydrophobicContact CG1-CB 3.75Å; V47-A394 HydrophobicContact CG2-CB 4.27Å; A390-A394 WeakPolarHBondContact O-CB 3.49Å; A390-A394 PolarHBondContact O-N 3.36Å; Y391-A394 WeakPolarHBondContact O-CB 3.14Å; Y391-A394 PolarHBondContact O-N 3.35Å; Y391-A394 VanDerWaalsContact O-N 3.13Å; G392-A394 VanDerWaalsContact C-N 3.3Å; G392-A394 PolarHBondContact O-N 2.85Å; A394-G397 PolarHBondContact O-N 3.19Å; A394-G398 PolarHBondContact O-N 3.33Å
395	V	95	Very high	91.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-48.9	171.7	177.9	0	0	0	0	110.5	F42 V47 I203 L207 Y391 G392 G397 G398 V399 V409	F42-V395 HydrophobicContact CD2-CG2 4.35Å; V47-V395 HydrophobicContact CG2-CG2 3.44Å; V47-V395 VanDerWaalsContact CG2-CG2 3.44Å; I203-V395 HydrophobicContact CG2-CB 3.8Å; I203-V395 HydrophobicContact CG2-CG1 3.6Å; I203-V395 HydrophobicContact CG2-CG2 4.21Å; L207-V395 HydrophobicContact CD1-CB 4.25Å; L207-V395 HydrophobicContact CD1-CG1 3.9Å; L207-V395 HydrophobicContact CD1-CG2 3.34Å; L207-V395 HydrophobicContact CD2-CG1 3.94Å; L207-V395 HydrophobicContact CG-CG1 4.28Å; L207-V395 HydrophobicContact CG-CG2 4.45Å; Y391-V395 HydrophobicContact CD1-CG2 4.02Å; Y391-V395 HydrophobicContact CE1-CG2 3.94Å; Y391-V395 WeakPolarHBondContact O-CG2 3.43Å; Y391-V395 PolarHBondContact O-N 3.17Å; G392-V395 WeakPolarHBondContact O-CB 3.38Å; G392-V395 PolarHBondContact O-N 3.38Å; V395-G397 VanDerWaalsContact C-N 3.26Å; V395-G397 PolarHBondContact O-N 2.72Å; V395-G398 WeakPolarHBondContact O-CA 3.45Å; V395-G398 PolarHBondContact O-N 2.95Å; V395-V399 WeakPolarHBondContact O-CG2 3.46Å; V395-V399 PolarHBondContact O-N 2.83Å; V395-V409 HydrophobicContact CG1-CG2 4.33Å
396	Q	94.4	Very high	90.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-35.9	178.4	-173.9	56.9	37.7	0	0	111.9	V165 I195 G392 A393 V399 I400 L411	V165-Q396 HydrophobicContact CG1-CB 4.33Å; V165-Q396 HydrophobicContact CG1-CG 4.24Å; V165-Q396 HydrophobicContact CG2-CG 4.44Å; I195-Q396 HydrophobicContact CD1-CB 4.38Å; I195-Q396 HydrophobicContact CD1-CG 4.33Å; G392-Q396 PolarHBondContact O-N 2.85Å; A393-Q396 PolarHBondContact O-N 3.31Å; Q396-V399 PolarHBondContact O-N 3.05Å; Q396-I400 HydrophobicContact CG-CD1 3.98Å; Q396-I400 VanDerWaalsContact O-CG1 3.31Å; Q396-I400 WeakPolarHBondContact O-CG1 3.37Å; Q396-I400 PolarHBondContact O-N 3.42Å; Q396-L411 HydrophobicContact CG-CD1 4.45Å
397	G	94.8	Very high	89.3	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-45.3	170.3	0	0	0	0	0	112.1	A393 A394 V395 I400 G401	A393-G397 PolarHBondContact O-N 2.8Å; A394-G397 PolarHBondContact O-N 3.19Å; V395-G397 VanDerWaalsContact C-N 3.26Å; V395-G397 PolarHBondContact O-N 2.72Å; G397-I400 PolarHBondContact O-N 3.32Å; G397-G401 PolarHBondContact O-N 3.13Å
398	G	93.1	Very high	88.3	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-44.4	173.9	0	0	0	0	0	113.1	A394 V395 G401 G402 V403	A394-G398 PolarHBondContact O-N 3.33Å; V395-G398 WeakPolarHBondContact O-CA 3.45Å; V395-G398 PolarHBondContact O-N 2.95Å; G398-G401 PolarHBondContact O-N 2.86Å; G398-G402 PolarHBondContact O-N 3Å; G398-G402 VanDerWaalsContact O-N 3.13Å; G398-V403 PolarHBondContact O-N 3.34Å
399	V	91.5	Very high	87.8	Confident	40 Å²	40	34.7 Å²	34.7	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-49	177.9	173.5	0	0	0	0	110.9	V395 Q396 G402 T406 V409	V395-V399 WeakPolarHBondContact O-CG2 3.46Å; V395-V399 PolarHBondContact O-N 2.83Å; Q396-V399 PolarHBondContact O-N 3.05Å; V399-G402 PolarHBondContact O-N 2.79Å; V399-T406 HydrophobicContact CG2-CG2 4.23Å; V399-V409 HydrophobicContact CG2-CB 4.22Å
400	I	89.4	Confident	87.4	Confident	45 Å²	45	38 Å²	38	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-39.4	-179.2	-65.5	166.8	0	0	0	111.2	Y24 V165 L192 R193 Q396 G397 G402	Y24-I400 HydrophobicContact CD2-CG2 4.38Å; Y24-I400 HydrophobicContact CE2-CG2 4.1Å; V165-I400 HydrophobicContact CG2-CD1 3.97Å; L192-I400 HydrophobicContact CB-CG2 4.29Å; L192-I400 HydrophobicContact CD1-CG2 3.87Å; R193-I400 HydrophobicContact CB-CD1 3.59Å; R193-I400 HydrophobicContact CG-CD1 4.3Å; Q396-I400 HydrophobicContact CG-CD1 3.98Å; Q396-I400 VanDerWaalsContact O-CG1 3.31Å; Q396-I400 WeakPolarHBondContact O-CG1 3.37Å; Q396-I400 PolarHBondContact O-N 3.42Å; G397-I400 PolarHBondContact O-N 3.32Å; I400-G402 PolarHBondContact O-N 3.29Å
401	G	87.8	Confident	87	Confident	20 Å²	20	38.9 Å²	38.9	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.2	175.4	0	0	0	0	0	113.8	G397 G398 V403	G397-G401 PolarHBondContact O-N 3.13Å; G398-G401 PolarHBondContact O-N 2.86Å; G401-V403 VanDerWaalsContact C-N 3.31Å; G401-V403 PolarHBondContact O-N 3.46Å
402	G	83.4	Confident	86.8	Confident	43 Å²	43	38.4 Å²	38.4	44%	0.443	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	22.9	178.7	0	0	0	0	0	114.1	G398 V399 I400	G398-G402 PolarHBondContact O-N 3Å; G398-G402 VanDerWaalsContact O-N 3.13Å; V399-G402 PolarHBondContact O-N 2.79Å; I400-G402 PolarHBondContact O-N 3.29Å
403	V	79.8	Confident	86.7	Confident	56 Å²	56	39 Å²	39	34%	0.339	25%	0.253	S	S	.	.			trans	-67.1	135.8	176.9	-173.3	0	0	0	0	109.5	F42 G398 G401 T406	F42-V403 HydrophobicContact CD1-CB 4.2Å; F42-V403 HydrophobicContact CD1-CG1 3.81Å; F42-V403 HydrophobicContact CE1-CG1 4.1Å; G398-V403 PolarHBondContact O-N 3.34Å; G401-V403 VanDerWaalsContact C-N 3.31Å; G401-V403 PolarHBondContact O-N 3.46Å; V403-T406 HydrophobicContact CB-CG2 4.25Å; V403-T406 WeakPolarHBondContact O-CG2 3.45Å; V403-T406 PolarHBondContact O-OG1 3.47Å
404	E	76.3	Confident	86.4	Confident	158 Å²	158	39 Å²	39	74%	0.738	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	158.5	177.3	-64.2	-173.9	168.2	0	0	112	T406	E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.5Å
405	N	72.6	Confident	85.9	Confident	134 Å²	134	39.7 Å²	39.7	72%	0.717	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	23.6	176.3	-55	-45.6	0	0	0	116.1	G407	N405-G407 VanDerWaalsContact C-N 3.26Å; N405-G407 PolarHBondContact O-N 3.44Å
406	T	69.8	Low	85.4	Confident	20 Å²	20	40.5 Å²	40.5	12%	0.123	26%	0.263	C	S	.	.			trans	-79.3	-0.7	176.7	48.8	0	0	0	0	114.6	F42 V399 V403 E404 G408	F42-T406 HydrophobicContact CD1-CG2 3.89Å; F42-T406 HydrophobicContact CE1-CG2 3.6Å; F42-T406 HydrophobicContact CG-CG2 4.47Å; F42-T406 HydrophobicContact CZ-CG2 3.96Å; V399-T406 HydrophobicContact CG2-CG2 4.23Å; V403-T406 HydrophobicContact CB-CG2 4.25Å; V403-T406 WeakPolarHBondContact O-CG2 3.45Å; V403-T406 PolarHBondContact O-OG1 3.47Å; E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.5Å; T406-G408 VanDerWaalsContact C-N 3.3Å; T406-G408 PolarHBondContact O-N 2.96Å
407	G	68.2	Low	85.1	Confident	64 Å²	64	41.6 Å²	41.6	66%	0.66	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	1.1	172.9	0	0	0	0	0	116.2	N405	N405-G407 VanDerWaalsContact C-N 3.26Å; N405-G407 PolarHBondContact O-N 3.44Å
408	G	76.4	Confident	84.8	Confident	54 Å²	54	41.6 Å²	41.6	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	40.6	175.4	0	0	0	0	0	113.9	T406 V410	T406-G408 VanDerWaalsContact C-N 3.3Å; T406-G408 PolarHBondContact O-N 2.96Å; G408-V410 PolarHBondContact O-N 3.19Å
409	V	86.8	Confident	84.8	Confident	14 Å²	14	41.9 Å²	41.9	9%	0.085	27%	0.27	C	S	.	.			trans	-60.6	124.4	-178.8	175.6	0	0	0	0	111.5	I203 L207 G236 F238 V395 V399 L411	I203-V409 HydrophobicContact CD1-CG1 4.46Å; I203-V409 HydrophobicContact CG1-CG1 4.3Å; L207-V409 HydrophobicContact CD2-CG2 3.98Å; G236-V409 WeakPolarHBondContact O-CA 3.27Å; F238-V409 HydrophobicContact CD2-CG1 3.77Å; F238-V409 HydrophobicContact CE2-CB 4.49Å; F238-V409 HydrophobicContact CE2-CG1 3.78Å; F238-V409 HydrophobicContact CE2-CG2 4.22Å; V395-V409 HydrophobicContact CG1-CG2 4.33Å; V399-V409 HydrophobicContact CG2-CB 4.22Å; V409-L411 HydrophobicContact CG1-CD2 3.51Å; V409-L411 HydrophobicContact CG1-CG 4.02Å
410	V	89.2	Confident	84.9	Confident	73 Å²	73	40 Å²	40	44%	0.442	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	172.1	-180	0	0	0	0	108.8	G236 V237 F238 G408	G236-V410 PolarHBondContact O-N 2.85Å; V237-V410 WeakPolarHBondContact CA-O 3.31Å; V237-V410 HydrophobicContact CG1-CB 4.48Å; V237-V410 HydrophobicContact CG2-CB 4.27Å; F238-V410 PolarHBondContact N-O 2.93Å; G408-V410 PolarHBondContact O-N 3.19Å
411	L	91.1	Very high	85.2	Confident	19 Å²	19	38.1 Å²	38.1	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	-179.3	-55.7	-177.3	0	0	0	110.6	I195 T199 I203 F238 Q396 V409	I195-L411 HydrophobicContact CD1-CD1 3.59Å; I195-L411 HydrophobicContact CG1-CD1 4.46Å; T199-L411 HydrophobicContact CG2-CD1 4.38Å; T199-L411 HydrophobicContact CG2-CD2 4.3Å; I203-L411 HydrophobicContact CD1-CD1 3.62Å; I203-L411 HydrophobicContact CD1-CD2 3.53Å; I203-L411 HydrophobicContact CD1-CG 4.16Å; I203-L411 HydrophobicContact CG1-CD2 3.67Å; F238-L411 HydrophobicContact CB-CD2 3.78Å; F238-L411 HydrophobicContact CD2-CD2 4Å; F238-L411 HydrophobicContact CG-CD2 4.07Å; Q396-L411 HydrophobicContact CG-CD1 4.45Å; V409-L411 HydrophobicContact CG1-CD2 3.51Å; V409-L411 HydrophobicContact CG1-CG 4.02Å
412	L	92.4	Very high	85.5	Confident	59 Å²	59	40.2 Å²	40.2	31%	0.309	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	93.5	170.9	-57.9	176.5	0	0	0	108	V237 F238 E239 V240 V437	V237-L412 HydrophobicContact CG1-CD1 4.29Å; F238-L412 PolarHBondContact O-N 2.78Å; E239-L412 HydrophobicContact CB-CB 4.33Å; E239-L412 HydrophobicContact CB-CD1 4.4Å; E239-L412 HydrophobicContact CG-CB 4.22Å; E239-L412 HydrophobicContact CG-CD1 4.34Å; V240-L412 PolarHBondContact N-O 2.87Å; L412-V437 HydrophobicContact CB-CG1 4.23Å; L412-V437 HydrophobicContact CD2-CG1 4.41Å
413	D	93.2	Very high	85.8	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	169.3	178.2	-143.8	-42.3	0	0	0	110.7	N196 T199 V437 I438	N196-D413 PolarHBondContact ND2-OD1 3.4Å; N196-D413 PolarHBondContact ND2-OD2 3.24Å; T199-D413 PolarHBondContact OG1-OD2 3.04Å; D413-V437 CarbonylContact O-C 3.55Å; D413-V437 VanDerWaalsContact O-CA 3.26Å; D413-V437 WeakPolarHBondContact O-CA 3.37Å; D413-I438 HydrophobicContact CB-CD1 4.37Å; D413-I438 HydrophobicContact CB-CG1 4.09Å; D413-I438 WeakPolarHBondContact O-CG1 3.28Å; D413-I438 PolarHBondContact O-N 2.87Å
414	V	91.6	Very high	86	Confident	1 Å²	1	43 Å²	43	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.8	-176.6	-61.3	0	0	0	0	113.4	V240 T243 N435 T436 V437	V240-V414 HydrophobicContact CB-CG1 4.28Å; V240-V414 HydrophobicContact CB-CG2 4.09Å; V240-V414 HydrophobicContact CG1-CG2 3.62Å; V240-V414 WeakPolarHBondContact O-CG1 3.38Å; T243-V414 HydrophobicContact CG2-CG2 3.96Å; V414-N435 WeakPolarHBondContact CG1-O 3.1Å; V414-N435 HydrophobicContact CG2-CB 4.49Å; V414-T436 CarbonylContact C-O 3.53Å; V414-T436 VanDerWaalsContact CA-O 3.3Å; V414-T436 WeakPolarHBondContact CA-O 3.44Å; V414-V437 HydrophobicContact CG1-CG2 4.1Å
415	C	87.3	Confident	86.4	Confident	14 Å²	14	38.5 Å²	38.5	10%	0.095	26%	0.257	C	S	.	.			trans	-74.6	125.8	172.3	-167.3	0	0	0	0	110.9	L417 R434 N435 T436 I438 I498	C415-L417 VanDerWaalsContact C-N 3.34Å; C415-L417 PolarHBondContact O-N 3.24Å; C415-L417 PolarHBondContact SG-O 3.03Å; C415-R434 CarbonylContact O-C 3.51Å; C415-N435 WeakPolarHBondContact O-CA 3.18Å; C415-N435 PolarHBondContact O-N 2.96Å; C415-T436 PolarHBondContact N-O 2.82Å; C415-I438 HydrophobicContact CB-CG2 4.37Å; C415-I498 HydrophobicContact CB-CD1 4.23Å
416	P	84.9	Confident	87	Confident	17 Å²	17	32.9 Å²	32.9	11%	0.11	23%	0.231	C	C	.	.	S	Bend	trans	-71.2	-26.3	-175.1	27.9	-36.9	0	0	0	114.3	A170 Y171 T243	A170-P416 WeakPolarHBondContact O-CG 3.48Å; Y171-P416 HydrophobicContact CD2-CB 3.64Å; Y171-P416 HydrophobicContact CE2-CB 3.79Å; T243-P416 HydrophobicContact CG2-CB 3.84Å
417	L	86.6	Confident	87.9	Confident	27 Å²	27	34.8 Å²	34.8	14%	0.141	24%	0.242	C	C	.	.	S	Bend	trans	-134.1	150.1	-173.9	-76.3	173.6	0	0	0	111.1	Y171 C415 L419 E462	Y171-L417 HydrophobicContact CE1-CD1 4.09Å; Y171-L417 HydrophobicContact CE1-CD2 4.2Å; Y171-L417 HydrophobicContact CE1-CG 4.18Å; Y171-L417 HydrophobicContact CE2-CG 4.38Å; Y171-L417 WeakPolarHBondContact OH-CD2 3.28Å; C415-L417 VanDerWaalsContact C-N 3.34Å; C415-L417 PolarHBondContact O-N 3.24Å; C415-L417 PolarHBondContact SG-O 3.03Å; L417-L419 PolarHBondContact O-N 3.01Å; L417-E462 HydrophobicContact CB-CB 4.45Å; L417-E462 HydrophobicContact CD1-CG 4.33Å
418	T	89.5	Confident	89	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	21%	0.214	C	C	.	.			trans	-67	134.3	173.1	-64.8	0	0	0	0	111.1	K430 I432 R434 E462 G463 E464	T418-K430 HydrophobicContact CG2-CB 3.68Å; T418-K430 HydrophobicContact CG2-CD 3.68Å; T418-K430 HydrophobicContact CG2-CG 3.53Å; T418-I432 CarbonylContact C-O 3.6Å; T418-I432 VanDerWaalsContact CA-O 3.31Å; T418-I432 WeakPolarHBondContact CA-O 3.42Å; T418-R434 PolarHBondContact OG1-N 3.37Å; T418-E462 CarbonylContact O-C 3.47Å; T418-E462 VanDerWaalsContact O-CA 3.32Å; T418-E462 WeakPolarHBondContact O-CA 3.4Å; T418-G463 PolarHBondContact O-N 3.43Å; T418-E464 WeakPolarHBondContact CB-OE1 3.31Å; T418-E464 PolarHBondContact N-OE1 2.98Å; T418-E464 PolarHBondContact OG1-OE1 3.38Å; T418-E464 PolarHBondContact OG1-OE2 2.77Å
419	L	92.5	Very high	89.9	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145	174.1	-58.8	172.5	0	0	0	111.3	L417 L431 I432 E462 L474 F496 I498 L504	L417-L419 PolarHBondContact O-N 3.01Å; L419-L431 PolarHBondContact O-N 2.99Å; L419-I432 HydrophobicContact CB-CB 4.29Å; L419-I432 PolarHBondContact N-O 2.93Å; L419-I432 PolarHBondContact O-N 2.87Å; L419-I432 VanDerWaalsContact O-N 3.16Å; L419-E462 HydrophobicContact CD2-CB 3.73Å; L419-L474 HydrophobicContact CD2-CD1 3.82Å; L419-F496 HydrophobicContact CB-CD1 3.91Å; L419-F496 HydrophobicContact CB-CE1 3.84Å; L419-F496 HydrophobicContact CD1-CD1 4.43Å; L419-I498 HydrophobicContact CD1-CD1 3.59Å; L419-I498 HydrophobicContact CD1-CG1 4.22Å; L419-L504 HydrophobicContact CD1-CD1 3.92Å; L419-L504 HydrophobicContact CD1-CD2 3.96Å; L419-L504 HydrophobicContact CD1-CG 4.44Å; L419-L504 HydrophobicContact CD2-CD2 4.15Å
420	G	93.2	Very high	90.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	-172.4	-177.9	0	0	0	0	0	113.8	M428 T429 V460 F461	G420-M428 VanDerWaalsContact CA-CE 3.44Å; G420-M428 VanDerWaalsContact N-CE 3.26Å; G420-T429 CarbonylContact C-O 3.59Å; G420-T429 WeakPolarHBondContact CA-O 3.32Å; G420-V460 WeakPolarHBondContact O-CA 3.34Å; G420-F461 PolarHBondContact N-O 3.34Å; G420-F461 VanDerWaalsContact N-O 3.1Å; G420-F461 PolarHBondContact O-N 2.79Å
421	I	96	Very high	90.4	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.3	-179.1	67.6	172.2	0	0	0	112.5	T423 T429 L431 F446 I458 Q459 V460 V494 F496	I421-T423 HydrophobicContact CG1-CG2 4.35Å; I421-T429 PolarHBondContact N-O 2.74Å; I421-T429 PolarHBondContact O-N 3.2Å; I421-L431 HydrophobicContact CG1-CD1 4.26Å; I421-F446 HydrophobicContact CD1-CD1 3.97Å; I421-F446 HydrophobicContact CD1-CD2 3.78Å; I421-F446 HydrophobicContact CD1-CE1 3.69Å; I421-F446 HydrophobicContact CD1-CE2 3.49Å; I421-F446 VanDerWaalsContact CD1-CE2 3.49Å; I421-F446 HydrophobicContact CD1-CG 4.02Å; I421-F446 HydrophobicContact CD1-CZ 3.45Å; I421-F446 VanDerWaalsContact CD1-CZ 3.45Å; I421-F446 HydrophobicContact CG1-CE1 4.17Å; I421-F446 HydrophobicContact CG1-CE2 4.33Å; I421-F446 HydrophobicContact CG1-CZ 3.9Å; I421-I458 HydrophobicContact CG2-CG2 3.91Å; I421-Q459 WeakPolarHBondContact CA-O 3.33Å; I421-Q459 WeakPolarHBondContact CB-O 3.3Å; I421-V460 HydrophobicContact CG2-CG2 4.4Å; I421-V494 HydrophobicContact CD1-CG2 4.25Å; I421-V494 HydrophobicContact CG2-CG1 4.26Å; I421-F496 HydrophobicContact CG2-CE2 3.6Å; I421-F496 HydrophobicContact CG2-CZ 3.56Å
422	E	93.6	Very high	90.6	Very high	64 Å²	64	31.5 Å²	31.5	30%	0.299	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.3	166.9	-170.9	168.4	104.7	0	0	111.5	Q459 F461 T468	E422-Q459 HydrophobicContact CB-CB 4.21Å; E422-Q459 PolarHBondContact N-O 2.87Å; E422-Q459 PolarHBondContact OE1-NE2 3.34Å; E422-F461 HydrophobicContact CB-CD2 4.38Å; E422-F461 HydrophobicContact CB-CE2 3.7Å; E422-F461 HydrophobicContact CB-CZ 4.46Å; E422-T468 HydrophobicContact CB-CG2 3.75Å; E422-T468 HydrophobicContact CG-CG2 3.94Å; E422-T468 WeakPolarHBondContact OE2-CB 3.33Å; E422-T468 PolarHBondContact OE2-OG1 3.04Å
423	T	89.8	Confident	90.7	Very high	42 Å²	42	32 Å²	32	26%	0.258	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	179.1	167.1	58	0	0	0	0	111.2	I421 G425 G426 V427 T429 F446	I421-T423 HydrophobicContact CG1-CG2 4.35Å; T423-G425 PolarHBondContact O-N 3.21Å; T423-G426 PolarHBondContact O-N 2.71Å; T423-V427 PolarHBondContact N-O 3.04Å; T423-V427 PolarHBondContact O-N 2.67Å; T423-V427 PolarHBondContact OG1-O 3.34Å; T423-T429 WeakPolarHBondContact CG2-OG1 3.5Å; T423-T429 PolarHBondContact OG1-OG1 3.15Å; T423-F446 HydrophobicContact CG2-CD1 3.97Å; T423-F446 HydrophobicContact CG2-CE1 3.75Å
424	V	84.9	Confident	90.6	Very high	116 Å²	116	33 Å²	33	70%	0.703	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.9	130.5	-175.5	-179.3	0	0	0	0	111.4	A449	V424-A449 HydrophobicContact CG2-CB 3.62Å
425	G	85.7	Confident	90.6	Very high	63 Å²	63	34.5 Å²	34.5	65%	0.649	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	4.2	-178.7	0	0	0	0	0	115	T423 M467	T423-G425 PolarHBondContact O-N 3.21Å; G425-M467 WeakPolarHBondContact O-CE 3.47Å
426	G	85.1	Confident	90.9	Very high	17 Å²	17	35.2 Å²	35.2	18%	0.175	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	24.9	-179.2	0	0	0	0	0	113	T423 M467 T468	T423-G426 PolarHBondContact O-N 2.71Å; G426-M467 CarbonylContact O-C 3.6Å; G426-M467 WeakPolarHBondContact O-CA 3.45Å; G426-M467 WeakPolarHBondContact O-CE 3.39Å; G426-T468 PolarHBondContact O-N 3.17Å; G426-T468 PolarHBondContact O-OG1 2.88Å; G426-T468 VanDerWaalsContact O-OG1 3.07Å
427	V	88.9	Confident	91.4	Very high	59 Å²	59	37 Å²	37	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.5	-177.6	179.3	0	0	0	0	109.5	T423 T429 M467	T423-V427 PolarHBondContact N-O 3.04Å; T423-V427 PolarHBondContact O-N 2.67Å; T423-V427 PolarHBondContact OG1-O 3.34Å; V427-T429 PolarHBondContact O-N 3.43Å; V427-M467 HydrophobicContact CG2-SD 4.26Å
428	M	89.9	Confident	91.7	Very high	13 Å²	13	36.5 Å²	36.5	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.9	174.1	-179.6	62.1	172.3	0	0	109.9	G420 F461 R465 A466 T468 N471	G420-M428 VanDerWaalsContact CA-CE 3.44Å; G420-M428 VanDerWaalsContact N-CE 3.26Å; M428-F461 HydrophobicContact CE-CB 3.93Å; M428-F461 WeakPolarHBondContact CE-O 3.36Å; M428-F461 HydrophobicContact SD-CB 3.79Å; M428-R465 WeakPolarHBondContact CB-O 3.47Å; M428-A466 PolarHBondContact N-O 2.8Å; M428-T468 HydrophobicContact CB-CG2 4.04Å; M428-T468 HydrophobicContact SD-CG2 4.07Å; M428-N471 WeakPolarHBondContact CG-ND2 3.38Å
429	T	94.8	Very high	91.9	Very high	31 Å²	31	40.4 Å²	40.4	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.3	172.7	-55.2	0	0	0	0	109.7	G420 I421 T423 V427 L431 F446	G420-T429 CarbonylContact C-O 3.59Å; G420-T429 WeakPolarHBondContact CA-O 3.32Å; I421-T429 PolarHBondContact N-O 2.74Å; I421-T429 PolarHBondContact O-N 3.2Å; T423-T429 WeakPolarHBondContact CG2-OG1 3.5Å; T423-T429 PolarHBondContact OG1-OG1 3.15Å; V427-T429 PolarHBondContact O-N 3.43Å; T429-L431 WeakPolarHBondContact O-CD1 3.49Å; T429-F446 HydrophobicContact CG2-CE1 3.85Å; T429-F446 HydrophobicContact CG2-CZ 3.98Å
430	K	91.7	Very high	92.1	Very high	95 Å²	95	41.2 Å²	41.2	41%	0.413	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.3	-175	-54	-176.9	165.9	-152	0	110.6	T418 E464	T418-K430 HydrophobicContact CG2-CB 3.68Å; T418-K430 HydrophobicContact CG2-CD 3.68Å; T418-K430 HydrophobicContact CG2-CG 3.53Å; K430-E464 IonicContact NZ-OE2 3.95Å; K430-E464 PolarHBondContact NZ-OE2 3.46Å
431	L	95.7	Very high	92.3	Very high	17 Å²	17	47.1 Å²	47.1	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-41	174.1	-84	77.6	0	0	0	112.2	L419 I421 T429 Q444 F446 V494 F496	L419-L431 PolarHBondContact O-N 2.99Å; I421-L431 HydrophobicContact CG1-CD1 4.26Å; T429-L431 WeakPolarHBondContact O-CD1 3.49Å; L431-Q444 HydrophobicContact CD2-CB 4.24Å; L431-Q444 HydrophobicContact CG-CB 4.32Å; L431-F446 HydrophobicContact CD1-CE2 4.27Å; L431-F446 HydrophobicContact CD1-CZ 3.9Å; L431-F446 HydrophobicContact CD2-CE2 4.41Å; L431-V494 HydrophobicContact CD2-CG1 4.27Å; L431-F496 HydrophobicContact CB-CD2 4.32Å; L431-F496 HydrophobicContact CB-CG 4.38Å; L431-F496 HydrophobicContact CD2-CD2 3.46Å; L431-F496 VanDerWaalsContact CD2-CD2 3.46Å; L431-F496 HydrophobicContact CD2-CE2 3.72Å; L431-F496 HydrophobicContact CD2-CG 4.25Å; L431-F496 HydrophobicContact CG-CD2 4.43Å
432	I	95.2	Very high	92.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	104.1	175.4	-61.4	175.7	0	0	0	107.1	T418 L419 T436 T440 K442 F496 I498	T418-I432 CarbonylContact C-O 3.6Å; T418-I432 VanDerWaalsContact CA-O 3.31Å; T418-I432 WeakPolarHBondContact CA-O 3.42Å; L419-I432 HydrophobicContact CB-CB 4.29Å; L419-I432 PolarHBondContact N-O 2.93Å; L419-I432 PolarHBondContact O-N 2.87Å; L419-I432 VanDerWaalsContact O-N 3.16Å; I432-T436 HydrophobicContact CG2-CG2 4Å; I432-T440 HydrophobicContact CD1-CG2 3.83Å; I432-T440 HydrophobicContact CG1-CG2 4.48Å; I432-T440 HydrophobicContact CG2-CG2 4.29Å; I432-K442 HydrophobicContact CD1-CG 4.47Å; I432-K442 HydrophobicContact CG1-CB 3.93Å; I432-K442 HydrophobicContact CG1-CG 3.78Å; I432-F496 HydrophobicContact CD1-CB 3.53Å; I432-F496 HydrophobicContact CD1-CD1 4.44Å; I432-F496 HydrophobicContact CD1-CG 4.44Å; I432-F496 HydrophobicContact CG1-CB 4.14Å; I432-I498 HydrophobicContact CD1-CD1 3.71Å; I432-I498 HydrophobicContact CD1-CG1 3.87Å; I432-I498 HydrophobicContact CG2-CD1 4.1Å
433	P	93.9	Very high	92.5	Very high	68 Å²	68	51.6 Å²	51.6	44%	0.442	30%	0.302	S	S	.	.			trans	-61.9	152.7	173.8	-22.3	34.1	0	0	0	112.1	T436	P433-T436 WeakPolarHBondContact O-CB 3.37Å; P433-T436 PolarHBondContact O-N 2.81Å; P433-T436 PolarHBondContact O-OG1 2.92Å
434	R	91.1	Very high	92.8	Very high	36 Å²	36	53.4 Å²	53.4	14%	0.136	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	153.9	166.3	66.9	177	-68	173.9	2.9	111.2	T243 N244 D344 C415 T418 T436	T243-R434 PolarHBondContact O-NH2 2.72Å; N244-R434 PolarHBondContact ND2-NH2 3.24Å; N244-R434 VanDerWaalsContact ND2-NH2 3.18Å; D344-R434 IonicContact OD2-CZ 3.24Å; D344-R434 IonicContact OD2-NE 2.68Å; D344-R434 PolarHBondContact OD2-NE 3.39Å; D344-R434 IonicContact OD2-NH1 2.9Å; D344-R434 PolarHBondContact OD2-NH1 3.35Å; D344-R434 IonicContact OD2-NH2 2.93Å; D344-R434 PolarHBondContact OD2-NH2 2.76Å; C415-R434 CarbonylContact O-C 3.51Å; T418-R434 PolarHBondContact OG1-N 3.37Å; R434-T436 PolarHBondContact O-N 2.85Å
435	N	91.6	Very high	93.3	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.171	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	14	-173.9	-51.4	-34.4	0	0	0	114.6	T243 V414 C415 V437	T243-N435 PolarHBondContact N-OD1 2.9Å; V414-N435 WeakPolarHBondContact CG1-O 3.1Å; V414-N435 HydrophobicContact CG2-CB 4.49Å; C415-N435 WeakPolarHBondContact O-CA 3.18Å; C415-N435 PolarHBondContact O-N 2.96Å; N435-V437 PolarHBondContact O-N 3.45Å
436	T	94.9	Very high	93.7	Very high	28 Å²	28	50.9 Å²	50.9	17%	0.172	27%	0.273	C	S	.	.			trans	-70.2	127.8	169.4	-60.5	0	0	0	0	109.7	V414 C415 I432 P433 R434 T440	V414-T436 CarbonylContact C-O 3.53Å; V414-T436 VanDerWaalsContact CA-O 3.3Å; V414-T436 WeakPolarHBondContact CA-O 3.44Å; C415-T436 PolarHBondContact N-O 2.82Å; I432-T436 HydrophobicContact CG2-CG2 4Å; P433-T436 WeakPolarHBondContact O-CB 3.37Å; P433-T436 PolarHBondContact O-N 2.81Å; P433-T436 PolarHBondContact O-OG1 2.92Å; R434-T436 PolarHBondContact O-N 2.85Å; T436-T440 HydrophobicContact CG2-CG2 4.03Å
437	V	95.5	Very high	93.9	Very high	55 Å²	55	53.1 Å²	53.1	33%	0.333	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	136.6	176.3	178.3	0	0	0	0	111.4	L412 D413 V414 N435 T440	L412-V437 HydrophobicContact CB-CG1 4.23Å; L412-V437 HydrophobicContact CD2-CG1 4.41Å; D413-V437 CarbonylContact O-C 3.55Å; D413-V437 VanDerWaalsContact O-CA 3.26Å; D413-V437 WeakPolarHBondContact O-CA 3.37Å; V414-V437 HydrophobicContact CG1-CG2 4.1Å; N435-V437 PolarHBondContact O-N 3.45Å; V437-T440 VanDerWaalsContact O-CB 3.3Å; V437-T440 WeakPolarHBondContact O-CB 3.35Å
438	I	92.5	Very high	94	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.6	176.4	61.7	168.4	0	0	0	110.9	D413 C415 T440 I498	D413-I438 HydrophobicContact CB-CD1 4.37Å; D413-I438 HydrophobicContact CB-CG1 4.09Å; D413-I438 WeakPolarHBondContact O-CG1 3.28Å; D413-I438 PolarHBondContact O-N 2.87Å; C415-I438 HydrophobicContact CB-CG2 4.37Å; I438-T440 HydrophobicContact CG2-CG2 4.4Å; I438-I498 HydrophobicContact CB-CG2 4.26Å; I438-I498 HydrophobicContact CD1-CG2 4.49Å; I438-I498 HydrophobicContact CG2-CB 4.03Å; I438-I498 HydrophobicContact CG2-CD1 4.11Å; I438-I498 HydrophobicContact CG2-CG2 3.74Å
439	P	94.3	Very high	93.9	Very high	83 Å²	83	52.4 Å²	52.4	54%	0.539	29%	0.287	S	S	.	.	S	Bend	cis	-72.6	149.4	4.3	31.6	-34.9	0	0	0	112.6	I498 V500	P439-I498 CarbonylContact C-O 3.55Å; P439-I498 WeakPolarHBondContact CA-O 3.25Å; P439-I498 WeakPolarHBondContact CB-O 3.38Å; P439-V500 HydrophobicContact CB-CG1 4.23Å; P439-V500 HydrophobicContact CG-CG1 3.87Å
440	T	95.9	Very high	93.6	Very high	25 Å²	25	53.3 Å²	53.3	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.4	-178.1	-158.6	0	0	0	0	112.6	I432 T436 V437 I438 E497 I498	I432-T440 HydrophobicContact CD1-CG2 3.83Å; I432-T440 HydrophobicContact CG1-CG2 4.48Å; I432-T440 HydrophobicContact CG2-CG2 4.29Å; T436-T440 HydrophobicContact CG2-CG2 4.03Å; V437-T440 VanDerWaalsContact O-CB 3.3Å; V437-T440 WeakPolarHBondContact O-CB 3.35Å; I438-T440 HydrophobicContact CG2-CG2 4.4Å; T440-E497 WeakPolarHBondContact O-CA 3.45Å; T440-I498 HydrophobicContact CG2-CB 4.32Å; T440-I498 HydrophobicContact CG2-CD1 4.15Å; T440-I498 HydrophobicContact CG2-CG1 4.32Å; T440-I498 PolarHBondContact N-O 3.48Å; T440-I498 PolarHBondContact O-N 3.35Å
441	K	96.8	Very high	93.6	Very high	124 Å²	124	52.9 Å²	52.9	54%	0.539	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.6	176.5	-173.3	171.8	-170.2	143.5	0	110	T495 F496 E497	K441-T495 HydrophobicContact CD-CG2 4.36Å; K441-T495 HydrophobicContact CG-CG2 3.92Å; K441-F496 CarbonylContact C-O 3.56Å; K441-F496 VanDerWaalsContact CA-O 3.32Å; K441-F496 WeakPolarHBondContact CA-O 3.33Å; K441-E497 WeakPolarHBondContact CE-OE2 3.24Å; K441-E497 HydrophobicContact CG-CB 4.45Å; K441-E497 IonicContact NZ-OE2 3.38Å; K441-E497 PolarHBondContact NZ-OE2 3.46Å
442	K	97.2	Very high	93.4	Very high	102 Å²	102	56.7 Å²	56.7	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.5	178.6	-62.7	-64	178.1	-176.2	0	110	I432 T495 F496	I432-K442 HydrophobicContact CD1-CG 4.47Å; I432-K442 HydrophobicContact CG1-CB 3.93Å; I432-K442 HydrophobicContact CG1-CG 3.78Å; K442-T495 CarbonylContact O-C 3.51Å; K442-T495 WeakPolarHBondContact O-CA 3.44Å; K442-F496 PolarHBondContact N-O 3.3Å; K442-F496 PolarHBondContact O-N 3.2Å
443	S	96.9	Very high	93.2	Very high	61 Å²	61	58.8 Å²	58.8	43%	0.427	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.3	179.8	-55.6	0	0	0	0	110	V494 T495	S443-V494 CarbonylContact C-O 3.35Å; S443-V494 VanDerWaalsContact CA-O 3.27Å; S443-V494 WeakPolarHBondContact CA-O 3.39Å; S443-T495 WeakPolarHBondContact CB-OG1 3.36Å; S443-T495 WeakPolarHBondContact OG-CB 3.43Å; S443-T495 VanDerWaalsContact OG-CG2 3.25Å; S443-T495 WeakPolarHBondContact OG-CG2 3.18Å; S443-T495 PolarHBondContact OG-OG1 3.46Å
444	Q	96.3	Very high	93	Very high	81 Å²	81	59.4 Å²	59.4	38%	0.379	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.3	175.2	-176.9	171.9	-5.3	0	0	110.1	L431 F446 V494	L431-Q444 HydrophobicContact CD2-CB 4.24Å; L431-Q444 HydrophobicContact CG-CB 4.32Å; Q444-F446 HydrophobicContact CB-CE2 3.77Å; Q444-F446 HydrophobicContact CB-CZ 4.15Å; Q444-F446 HydrophobicContact CG-CE2 3.88Å; Q444-F446 HydrophobicContact CG-CZ 3.89Å; Q444-F446 WeakPolarHBondContact O-CD2 3.39Å; Q444-V494 PolarHBondContact N-O 3.02Å; Q444-V494 PolarHBondContact O-N 3.2Å
445	I	95.5	Very high	93.1	Very high	92 Å²	92	59.8 Å²	59.8	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.9	178.6	-58.9	174.7	0	0	0	109.4	Q491 E493	I445-Q491 HydrophobicContact CG2-CB 3.92Å; I445-Q491 HydrophobicContact CG2-CG 4.22Å; I445-E493 HydrophobicContact CG1-CB 4.44Å
446	F	94.3	Very high	93	Very high	34 Å²	34	59 Å²	59	15%	0.149	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	176.2	172.9	-64.2	-85.4	0	0	0	110	I421 T423 T429 L431 Q444 I492 V494	I421-F446 HydrophobicContact CD1-CD1 3.97Å; I421-F446 HydrophobicContact CD1-CD2 3.78Å; I421-F446 HydrophobicContact CD1-CE1 3.69Å; I421-F446 HydrophobicContact CD1-CE2 3.49Å; I421-F446 VanDerWaalsContact CD1-CE2 3.49Å; I421-F446 HydrophobicContact CD1-CG 4.02Å; I421-F446 HydrophobicContact CD1-CZ 3.45Å; I421-F446 VanDerWaalsContact CD1-CZ 3.45Å; I421-F446 HydrophobicContact CG1-CE1 4.17Å; I421-F446 HydrophobicContact CG1-CE2 4.33Å; I421-F446 HydrophobicContact CG1-CZ 3.9Å; T423-F446 HydrophobicContact CG2-CD1 3.97Å; T423-F446 HydrophobicContact CG2-CE1 3.75Å; T429-F446 HydrophobicContact CG2-CE1 3.85Å; T429-F446 HydrophobicContact CG2-CZ 3.98Å; L431-F446 HydrophobicContact CD1-CE2 4.27Å; L431-F446 HydrophobicContact CD1-CZ 3.9Å; L431-F446 HydrophobicContact CD2-CE2 4.41Å; Q444-F446 HydrophobicContact CB-CE2 3.77Å; Q444-F446 HydrophobicContact CB-CZ 4.15Å; Q444-F446 HydrophobicContact CG-CE2 3.88Å; Q444-F446 HydrophobicContact CG-CZ 3.89Å; Q444-F446 WeakPolarHBondContact O-CD2 3.39Å; F446-I492 PolarHBondContact N-O 2.88Å; F446-I492 PolarHBondContact O-N 2.89Å; F446-V494 HydrophobicContact CD2-CB 3.87Å; F446-V494 HydrophobicContact CD2-CG2 3.63Å; F446-V494 HydrophobicContact CE2-CB 3.91Å; F446-V494 HydrophobicContact CE2-CG2 4.12Å
447	S	90.1	Very high	92.9	Very high	63 Å²	63	60.7 Å²	60.7	44%	0.441	35%	0.348	S	S	.	.			trans	-139.3	166.9	177	67.6	0	0	0	0	111.8	P490	S447-P490 VanDerWaalsContact CA-O 3.27Å; S447-P490 WeakPolarHBondContact CA-O 3.22Å; S447-P490 VanDerWaalsContact CB-O 3.31Å; S447-P490 WeakPolarHBondContact CB-O 3.32Å
448	T	89.5	Confident	92.8	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.031	33%	0.334	C	S	.	.			trans	-63	147.6	172.5	51.5	0	0	0	0	111.9	Q453 V456 I482 G488 P490	T448-Q453 HydrophobicContact CG2-CB 3.96Å; T448-Q453 HydrophobicContact CG2-CG 4.21Å; T448-V456 HydrophobicContact CG2-CG2 3.77Å; T448-I482 HydrophobicContact CG2-CD1 4.42Å; T448-I482 HydrophobicContact CG2-CG2 4.25Å; T448-G488 PolarHBondContact O-N 3.32Å; T448-P490 HydrophobicContact CG2-CB 3.98Å; T448-P490 HydrophobicContact CG2-CG 3.83Å; T448-P490 WeakPolarHBondContact OG1-CD 3.34Å
449	A	87.8	Confident	92.9	Very high	52 Å²	52	60 Å²	60	43%	0.43	34%	0.341	S	S	.	.	S	Bend	trans	-91	-20.8	-179.4	0	0	0	0	0	112.9	V424	V424-A449 HydrophobicContact CG2-CB 3.62Å
450	A	88.7	Confident	92.8	Very high	51 Å²	51	56 Å²	56	42%	0.421	32%	0.315	S	S	.	.	S	Bend	trans	-131.7	155.1	-179.6	0	0	0	0	0	112	Q453	A450-Q453 HydrophobicContact CB-CB 4.45Å; A450-Q453 WeakPolarHBondContact O-CB 3.37Å
451	D	91.7	Very high	92.4	Very high	85 Å²	85	55.4 Å²	55.4	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.1	176.2	-63.9	-20.6	0	0	0	110.2	Q453 R487	D451-Q453 PolarHBondContact O-N 2.78Å; D451-Q453 VanDerWaalsContact O-N 3.14Å; D451-R487 WeakPolarHBondContact OD1-CG 3.15Å; D451-R487 PolarHBondContact OD1-N 3.15Å
452	N	92.1	Very high	92	Very high	97 Å²	97	50.5 Å²	50.5	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.2	179.5	-52.5	-55	0	0	0	113.8	P454 P484 A485	N452-P454 WeakPolarHBondContact O-CD 3.46Å; N452-P484 HydrophobicContact CB-CB 4.08Å; N452-P484 VanDerWaalsContact OD1-CB 3.28Å; N452-P484 WeakPolarHBondContact OD1-CB 3.44Å; N452-A485 PolarHBondContact N-O 3.02Å; N452-A485 PolarHBondContact OD1-N 3.37Å
453	Q	90.7	Very high	91.3	Very high	45 Å²	45	46.1 Å²	46.1	21%	0.21	27%	0.272	C	S	.	.			trans	-67.9	110	177.3	177.7	176.8	-7.1	0	0	110.3	T448 A450 D451 T455	T448-Q453 HydrophobicContact CG2-CB 3.96Å; T448-Q453 HydrophobicContact CG2-CG 4.21Å; A450-Q453 HydrophobicContact CB-CB 4.45Å; A450-Q453 WeakPolarHBondContact O-CB 3.37Å; D451-Q453 PolarHBondContact O-N 2.78Å; D451-Q453 VanDerWaalsContact O-N 3.14Å; Q453-T455 VanDerWaalsContact C-N 3.33Å; Q453-T455 WeakPolarHBondContact CG-O 3.3Å; Q453-T455 PolarHBondContact NE2-O 3.49Å; Q453-T455 PolarHBondContact O-N 3.24Å
454	P	90.5	Very high	90.7	Very high	81 Å²	81	46.5 Å²	46.5	53%	0.526	27%	0.268	S	S	.	.			trans	-81.4	-14.9	-173.9	33.9	-35.9	0	0	0	113.5	N452 G481 I482	N452-P454 WeakPolarHBondContact O-CD 3.46Å; P454-G481 PolarHBondContact O-N 3.01Å; P454-G481 VanDerWaalsContact O-N 3.1Å; P454-I482 PolarHBondContact O-N 3.41Å
455	T	91.5	Very high	90.1	Very high	44 Å²	44	49.9 Å²	49.9	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.8	-173.9	-58.5	0	0	0	0	110.5	Q453 D478 L479 T480	Q453-T455 VanDerWaalsContact C-N 3.33Å; Q453-T455 WeakPolarHBondContact CG-O 3.3Å; Q453-T455 PolarHBondContact NE2-O 3.49Å; Q453-T455 PolarHBondContact O-N 3.24Å; T455-D478 HydrophobicContact CG2-CB 3.71Å; T455-L479 CarbonylContact C-O 3.57Å; T455-L479 VanDerWaalsContact CA-O 3.25Å; T455-L479 WeakPolarHBondContact CA-O 3.31Å; T455-T480 HydrophobicContact CG2-CG2 3.77Å
456	V	91.4	Very high	89.5	Confident	15 Å²	15	49 Å²	49	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.5	171.8	168.4	0	0	0	0	108.8	T448 I458 L479 I482 I492	T448-V456 HydrophobicContact CG2-CG2 3.77Å; V456-I458 HydrophobicContact CG1-CD1 3.64Å; V456-I458 HydrophobicContact CG1-CG1 4.4Å; V456-L479 PolarHBondContact N-O 3.23Å; V456-L479 PolarHBondContact O-N 3.1Å; V456-I482 HydrophobicContact CB-CD1 3.74Å; V456-I482 HydrophobicContact CG2-CD1 3.31Å; V456-I492 HydrophobicContact CG2-CG1 4.3Å
457	T	92.4	Very high	89.1	Confident	64 Å²	64	50.4 Å²	50.4	39%	0.393	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.1	173	-55	0	0	0	0	109.4	Q459 K476 D478	T457-Q459 HydrophobicContact CG2-CG 3.91Å; T457-K476 HydrophobicContact CG2-CB 4.49Å; T457-K476 HydrophobicContact CG2-CD 4.42Å; T457-D478 WeakPolarHBondContact CA-OD1 3.25Å; T457-D478 WeakPolarHBondContact CB-OD1 3.33Å; T457-D478 VanDerWaalsContact CG2-OD1 3.27Å; T457-D478 WeakPolarHBondContact CG2-OD1 3.47Å; T457-D478 PolarHBondContact OG1-OD1 3.28Å
458	I	93.7	Very high	88.8	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.9	172.7	-56.2	-58.4	0	0	0	107.8	I421 V456 V460 K476 F477 V494 V506 A508	I421-I458 HydrophobicContact CG2-CG2 3.91Å; V456-I458 HydrophobicContact CG1-CD1 3.64Å; V456-I458 HydrophobicContact CG1-CG1 4.4Å; I458-V460 HydrophobicContact CG2-CG2 4.16Å; I458-K476 CarbonylContact O-C 3.5Å; I458-K476 WeakPolarHBondContact O-CA 3.36Å; I458-K476 WeakPolarHBondContact O-CB 3.42Å; I458-F477 HydrophobicContact CB-CD1 4.02Å; I458-F477 HydrophobicContact CB-CE1 3.59Å; I458-F477 HydrophobicContact CB-CE2 4.39Å; I458-F477 HydrophobicContact CB-CZ 3.81Å; I458-F477 HydrophobicContact CG1-CE1 4.3Å; I458-F477 HydrophobicContact CG1-CE2 4.31Å; I458-F477 HydrophobicContact CG1-CZ 3.99Å; I458-F477 HydrophobicContact CG2-CD1 4.36Å; I458-F477 HydrophobicContact CG2-CE1 3.59Å; I458-F477 HydrophobicContact CG2-CZ 3.95Å; I458-F477 PolarHBondContact N-O 2.96Å; I458-F477 PolarHBondContact O-N 3.4Å; I458-V494 HydrophobicContact CD1-CG2 3.69Å; I458-V494 HydrophobicContact CG1-CG2 4.36Å; I458-V494 HydrophobicContact CG2-CG1 4.36Å; I458-V506 HydrophobicContact CG2-CG1 4.43Å; I458-A508 HydrophobicContact CG1-CB 3.93Å
459	Q	93.4	Very high	88.6	Confident	49 Å²	49	54.7 Å²	54.7	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.7	175.2	-59.8	-179.1	99.4	0	0	108.6	I421 E422 T457 F461 F473 K476	I421-Q459 WeakPolarHBondContact CA-O 3.33Å; I421-Q459 WeakPolarHBondContact CB-O 3.3Å; E422-Q459 HydrophobicContact CB-CB 4.21Å; E422-Q459 PolarHBondContact N-O 2.87Å; E422-Q459 PolarHBondContact OE1-NE2 3.34Å; T457-Q459 HydrophobicContact CG2-CG 3.91Å; Q459-F461 HydrophobicContact CB-CD2 4.46Å; Q459-F461 HydrophobicContact CB-CE2 3.53Å; Q459-F461 HydrophobicContact CB-CZ 4.15Å; Q459-F461 WeakPolarHBondContact O-CD2 3.42Å; Q459-F473 HydrophobicContact CB-CE2 4.26Å; Q459-K476 HydrophobicContact CB-CB 4.37Å; Q459-K476 HydrophobicContact CG-CB 3.89Å; Q459-K476 HydrophobicContact CG-CD 4.43Å
460	V	93.1	Very high	88.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.2	-172.1	-178.9	0	0	0	0	109.8	G420 I421 I458 L474 G475 F496 L504 V506 I521	G420-V460 WeakPolarHBondContact O-CA 3.34Å; I421-V460 HydrophobicContact CG2-CG2 4.4Å; I458-V460 HydrophobicContact CG2-CG2 4.16Å; V460-L474 HydrophobicContact CB-CB 4.5Å; V460-L474 HydrophobicContact CG1-CB 4.24Å; V460-L474 HydrophobicContact CG1-CD1 4.15Å; V460-L474 PolarHBondContact O-N 3.19Å; V460-G475 PolarHBondContact N-O 2.95Å; V460-G475 PolarHBondContact O-N 3.14Å; V460-F496 HydrophobicContact CB-CZ 4.5Å; V460-F496 HydrophobicContact CG1-CE1 3.75Å; V460-F496 HydrophobicContact CG1-CZ 3.77Å; V460-F496 HydrophobicContact CG2-CZ 4.13Å; V460-L504 HydrophobicContact CG1-CD2 4.09Å; V460-V506 HydrophobicContact CG1-CG2 4.17Å; V460-V506 HydrophobicContact CG2-CB 4.19Å; V460-V506 HydrophobicContact CG2-CG1 3.94Å; V460-V506 HydrophobicContact CG2-CG2 4Å; V460-I521 HydrophobicContact CB-CD1 3.75Å; V460-I521 HydrophobicContact CG1-CD1 4.07Å; V460-I521 HydrophobicContact CG1-CG1 4.3Å; V460-I521 HydrophobicContact CG2-CD1 3.73Å
461	F	87.8	Confident	87.8	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.1	-176.5	-62.6	-99.3	0	0	0	111.3	G420 E422 M428 Q459 T468 N471 H472 F473	G420-F461 PolarHBondContact N-O 3.34Å; G420-F461 VanDerWaalsContact N-O 3.1Å; G420-F461 PolarHBondContact O-N 2.79Å; E422-F461 HydrophobicContact CB-CD2 4.38Å; E422-F461 HydrophobicContact CB-CE2 3.7Å; E422-F461 HydrophobicContact CB-CZ 4.46Å; M428-F461 HydrophobicContact CE-CB 3.93Å; M428-F461 WeakPolarHBondContact CE-O 3.36Å; M428-F461 HydrophobicContact SD-CB 3.79Å; Q459-F461 HydrophobicContact CB-CD2 4.46Å; Q459-F461 HydrophobicContact CB-CE2 3.53Å; Q459-F461 HydrophobicContact CB-CZ 4.15Å; Q459-F461 WeakPolarHBondContact O-CD2 3.42Å; F461-T468 HydrophobicContact CD1-CG2 4.43Å; F461-T468 HydrophobicContact CD2-CG2 3.76Å; F461-T468 HydrophobicContact CE1-CG2 4.49Å; F461-T468 HydrophobicContact CE2-CG2 3.86Å; F461-T468 HydrophobicContact CG-CG2 4.09Å; F461-T468 HydrophobicContact CZ-CG2 4.22Å; F461-N471 HydrophobicContact CB-CB 4.29Å; F461-N471 HydrophobicContact CD1-CB 4.42Å; F461-H472 CarbonylContact C-O 3.51Å; F461-H472 WeakPolarHBondContact CA-O 3.34Å; F461-H472 WeakPolarHBondContact CB-O 3.27Å; F461-F473 HydrophobicContact CD1-CB 4.01Å; F461-F473 HydrophobicContact CD1-CD2 4.33Å; F461-F473 HydrophobicContact CE1-CB 3.77Å; F461-F473 AromaticContact CE1-CD2 3.78Å; F461-F473 HydrophobicContact CE1-CD2 3.78Å; F461-F473 HydrophobicContact CE1-CG 4.27Å; F461-F473 HydrophobicContact CE2-CD2 4.25Å; F461-F473 AromaticContact CZ-CD2 3.73Å; F461-F473 HydrophobicContact CZ-CD2 3.73Å
462	E	87.2	Confident	87.4	Confident	22 Å²	22	55.8 Å²	55.8	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139	165.3	66.3	-175.7	-176.4	0	0	110.6	N173 L417 T418 L419 N471 H472 L474	N173-E462 WeakPolarHBondContact CB-OE1 3.38Å; N173-E462 WeakPolarHBondContact CB-OE2 3.19Å; N173-E462 PolarHBondContact ND2-OE1 3.13Å; L417-E462 HydrophobicContact CB-CB 4.45Å; L417-E462 HydrophobicContact CD1-CG 4.33Å; T418-E462 CarbonylContact O-C 3.47Å; T418-E462 VanDerWaalsContact O-CA 3.32Å; T418-E462 WeakPolarHBondContact O-CA 3.4Å; L419-E462 HydrophobicContact CD2-CB 3.73Å; E462-N471 WeakPolarHBondContact O-CB 3.35Å; E462-H472 HydrophobicContact CG-CB 3.72Å; E462-H472 PolarHBondContact N-O 2.92Å; E462-H472 PolarHBondContact O-N 2.98Å; E462-H472 IonicContact OE1-CD2 3.08Å; E462-H472 PolarHBondContact OE1-CD2 2.93Å; E462-H472 IonicContact OE1-CG 2.66Å; E462-H472 IonicContact OE1-NE2 3.03Å; E462-L474 HydrophobicContact CB-CD1 3.89Å; E462-L474 HydrophobicContact CB-CG 4.28Å; E462-L474 HydrophobicContact CG-CD1 4.19Å; E462-L474 HydrophobicContact CG-CD2 4.02Å; E462-L474 HydrophobicContact CG-CG 4.06Å
463	G	82.9	Confident	87.1	Confident	9 Å²	9	54 Å²	54	9%	0.093	27%	0.273	C	S	.	.	S	Bend	trans	140.2	170.6	174.8	0	0	0	0	0	114.9	T418	T418-G463 PolarHBondContact O-N 3.43Å
464	E	84.7	Confident	86.7	Confident	70 Å²	70	52.2 Å²	52.2	33%	0.327	27%	0.265	S	S	.	.	S	Bend	trans	-103.3	0.5	-170.9	-60.3	-53.7	148.5	0	0	114.6	T418 K430 N471	T418-E464 WeakPolarHBondContact CB-OE1 3.31Å; T418-E464 PolarHBondContact N-OE1 2.98Å; T418-E464 PolarHBondContact OG1-OE1 3.38Å; T418-E464 PolarHBondContact OG1-OE2 2.77Å; K430-E464 IonicContact NZ-OE2 3.95Å; K430-E464 PolarHBondContact NZ-OE2 3.46Å; E464-N471 PolarHBondContact N-OD1 2.91Å
465	R	82.9	Confident	86.6	Confident	151 Å²	151	48.5 Å²	48.5	57%	0.57	24%	0.241	S	C	*	.			trans	-79.6	147.4	-179.9	-51.3	-67.9	-66.7	-162.7	-2.7	110.3	M428 M467 F470 N471	M428-R465 WeakPolarHBondContact CB-O 3.47Å; R465-M467 VanDerWaalsContact C-N 3.27Å; R465-M467 PolarHBondContact O-N 3.23Å; R465-F470 HydrophobicContact CB-CB 3.86Å; R465-F470 HydrophobicContact CG-CB 3.86Å; R465-N471 WeakPolarHBondContact CA-OD1 3.34Å; R465-N471 WeakPolarHBondContact CB-OD1 3.34Å; R465-N471 WeakPolarHBondContact CG-OD1 3.49Å; R465-N471 PolarHBondContact N-OD1 3.42Å; R465-N471 PolarHBondContact O-ND2 3.45Å
466	A	83.7	Confident	86.6	Confident	75 Å²	75	51.3 Å²	51.3	62%	0.62	25%	0.25	S	C	*	.	S	Bend	trans	-67.2	-25.5	-179.4	0	0	0	0	0	114	M428	M428-A466 PolarHBondContact N-O 2.8Å
467	M	84.3	Confident	86.6	Confident	63 Å²	63	51.4 Å²	51.4	31%	0.31	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-112	134.1	-179.6	-54.6	-62.9	-67.2	0	0	109.7	G425 G426 V427 R465 K469 F470	G425-M467 WeakPolarHBondContact O-CE 3.47Å; G426-M467 CarbonylContact O-C 3.6Å; G426-M467 WeakPolarHBondContact O-CA 3.45Å; G426-M467 WeakPolarHBondContact O-CE 3.39Å; V427-M467 HydrophobicContact CG2-SD 4.26Å; R465-M467 VanDerWaalsContact C-N 3.27Å; R465-M467 PolarHBondContact O-N 3.23Å; M467-K469 VanDerWaalsContact C-N 3.27Å; M467-K469 HydrophobicContact CB-CG 4.12Å; M467-K469 PolarHBondContact O-N 3.23Å; M467-F470 HydrophobicContact CB-CD2 4.02Å; M467-F470 HydrophobicContact CB-CE2 4.48Å; M467-F470 PolarHBondContact O-N 3.49Å; M467-F470 VanDerWaalsContact O-N 3.13Å
468	T	85.7	Confident	86.5	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.7	-33.5	-177.4	51.4	0	0	0	0	113.4	E422 G426 M428 F461 F470 N471	E422-T468 HydrophobicContact CB-CG2 3.75Å; E422-T468 HydrophobicContact CG-CG2 3.94Å; E422-T468 WeakPolarHBondContact OE2-CB 3.33Å; E422-T468 PolarHBondContact OE2-OG1 3.04Å; G426-T468 PolarHBondContact O-N 3.17Å; G426-T468 PolarHBondContact O-OG1 2.88Å; G426-T468 VanDerWaalsContact O-OG1 3.07Å; M428-T468 HydrophobicContact CB-CG2 4.04Å; M428-T468 HydrophobicContact SD-CG2 4.07Å; F461-T468 HydrophobicContact CD1-CG2 4.43Å; F461-T468 HydrophobicContact CD2-CG2 3.76Å; F461-T468 HydrophobicContact CE1-CG2 4.49Å; F461-T468 HydrophobicContact CE2-CG2 3.86Å; F461-T468 HydrophobicContact CG-CG2 4.09Å; F461-T468 HydrophobicContact CZ-CG2 4.22Å; T468-F470 PolarHBondContact O-N 2.91Å; T468-N471 PolarHBondContact O-N 3.41Å
469	K	83.5	Confident	86.4	Confident	155 Å²	155	51.6 Å²	51.6	67%	0.674	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-58.3	-16.3	175.9	71.5	178.3	-177.3	175.9	0	115.3	M467	M467-K469 VanDerWaalsContact C-N 3.27Å; M467-K469 HydrophobicContact CB-CG 4.12Å; M467-K469 PolarHBondContact O-N 3.23Å
470	F	80.3	Confident	86.3	Confident	124 Å²	124	52.9 Å²	52.9	54%	0.544	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-109.7	1.2	176.8	-59	-53.8	0	0	0	112.8	R465 M467 T468	R465-F470 HydrophobicContact CB-CB 3.86Å; R465-F470 HydrophobicContact CG-CB 3.86Å; M467-F470 HydrophobicContact CB-CD2 4.02Å; M467-F470 HydrophobicContact CB-CE2 4.48Å; M467-F470 PolarHBondContact O-N 3.49Å; M467-F470 VanDerWaalsContact O-N 3.13Å; T468-F470 PolarHBondContact O-N 2.91Å
471	N	80.4	Confident	86	Confident	22 Å²	22	55.7 Å²	55.7	12%	0.118	29%	0.288	C	S	.	.	S	Bend	trans	-101.8	167	173.8	-71.5	-29	0	0	0	109.4	M428 F461 E462 E464 R465 T468	M428-N471 WeakPolarHBondContact CG-ND2 3.38Å; F461-N471 HydrophobicContact CB-CB 4.29Å; F461-N471 HydrophobicContact CD1-CB 4.42Å; E462-N471 WeakPolarHBondContact O-CB 3.35Å; E464-N471 PolarHBondContact N-OD1 2.91Å; R465-N471 WeakPolarHBondContact CA-OD1 3.34Å; R465-N471 WeakPolarHBondContact CB-OD1 3.34Å; R465-N471 WeakPolarHBondContact CG-OD1 3.49Å; R465-N471 PolarHBondContact N-OD1 3.42Å; R465-N471 PolarHBondContact O-ND2 3.45Å; T468-N471 PolarHBondContact O-N 3.41Å
472	H	82.2	Confident	86.1	Confident	64 Å²	64	55.4 Å²	55.4	30%	0.296	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.1	178.9	-175.6	75.9	0	0	0	110	F461 E462	F461-H472 CarbonylContact C-O 3.51Å; F461-H472 WeakPolarHBondContact CA-O 3.34Å; F461-H472 WeakPolarHBondContact CB-O 3.27Å; E462-H472 HydrophobicContact CG-CB 3.72Å; E462-H472 PolarHBondContact N-O 2.92Å; E462-H472 PolarHBondContact O-N 2.98Å; E462-H472 IonicContact OE1-CD2 3.08Å; E462-H472 PolarHBondContact OE1-CD2 2.93Å; E462-H472 IonicContact OE1-CG 2.66Å; E462-H472 IonicContact OE1-NE2 3.03Å
473	F	86.1	Confident	86.2	Confident	59 Å²	59	57.3 Å²	57.3	26%	0.259	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.5	177.9	171.5	-102.2	0	0	0	110.4	Q459 F461 G475 K476	Q459-F473 HydrophobicContact CB-CE2 4.26Å; F461-F473 HydrophobicContact CD1-CB 4.01Å; F461-F473 HydrophobicContact CD1-CD2 4.33Å; F461-F473 HydrophobicContact CE1-CB 3.77Å; F461-F473 AromaticContact CE1-CD2 3.78Å; F461-F473 HydrophobicContact CE1-CD2 3.78Å; F461-F473 HydrophobicContact CE1-CG 4.27Å; F461-F473 HydrophobicContact CE2-CD2 4.25Å; F461-F473 AromaticContact CZ-CD2 3.73Å; F461-F473 HydrophobicContact CZ-CD2 3.73Å; F473-G475 VanDerWaalsContact CE2-C 3.45Å; F473-G475 WeakPolarHBondContact CE2-O 3.49Å; F473-G475 VanDerWaalsContact CZ-CA 3.44Å; F473-K476 HydrophobicContact CE2-CB 4.05Å; F473-K476 HydrophobicContact CZ-CB 3.91Å; F473-K476 HydrophobicContact CZ-CD 4.29Å; F473-K476 HydrophobicContact CZ-CG 4.01Å
474	L	83.9	Confident	86.6	Confident	9 Å²	9	62 Å²	62	5%	0.047	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-39.1	-177.8	-70.5	179	0	0	0	113	L419 V460 E462 L504 I521	L419-L474 HydrophobicContact CD2-CD1 3.82Å; V460-L474 HydrophobicContact CB-CB 4.5Å; V460-L474 HydrophobicContact CG1-CB 4.24Å; V460-L474 HydrophobicContact CG1-CD1 4.15Å; V460-L474 PolarHBondContact O-N 3.19Å; E462-L474 HydrophobicContact CB-CD1 3.89Å; E462-L474 HydrophobicContact CB-CG 4.28Å; E462-L474 HydrophobicContact CG-CD1 4.19Å; E462-L474 HydrophobicContact CG-CD2 4.02Å; E462-L474 HydrophobicContact CG-CG 4.06Å; L474-L504 HydrophobicContact CD1-CD2 4.02Å; L474-I521 HydrophobicContact CB-CG2 3.75Å
475	G	87.4	Confident	86.9	Confident	2 Å²	2	60 Å²	60	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	169.8	-177.3	0	0	0	0	0	113.2	V460 F473	V460-G475 PolarHBondContact N-O 2.95Å; V460-G475 PolarHBondContact O-N 3.14Å; F473-G475 VanDerWaalsContact CE2-C 3.45Å; F473-G475 WeakPolarHBondContact CE2-O 3.49Å; F473-G475 VanDerWaalsContact CZ-CA 3.44Å
476	K	90.9	Very high	87.3	Confident	103 Å²	103	58.2 Å²	58.2	45%	0.448	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.5	175.5	70.8	-178.9	-177.9	177.6	0	112.7	T457 I458 Q459 F473 I519	T457-K476 HydrophobicContact CG2-CB 4.49Å; T457-K476 HydrophobicContact CG2-CD 4.42Å; I458-K476 CarbonylContact O-C 3.5Å; I458-K476 WeakPolarHBondContact O-CA 3.36Å; I458-K476 WeakPolarHBondContact O-CB 3.42Å; Q459-K476 HydrophobicContact CB-CB 4.37Å; Q459-K476 HydrophobicContact CG-CB 3.89Å; Q459-K476 HydrophobicContact CG-CD 4.43Å; F473-K476 HydrophobicContact CE2-CB 4.05Å; F473-K476 HydrophobicContact CZ-CB 3.91Å; F473-K476 HydrophobicContact CZ-CD 4.29Å; F473-K476 HydrophobicContact CZ-CG 4.01Å; K476-I519 WeakPolarHBondContact O-CD1 3.44Å
477	F	91.2	Very high	87.6	Confident	18 Å²	18	62.7 Å²	62.7	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.3	173.2	64.3	-72.9	0	0	0	110.6	I458 V506 A508 N517 I519	I458-F477 HydrophobicContact CB-CD1 4.02Å; I458-F477 HydrophobicContact CB-CE1 3.59Å; I458-F477 HydrophobicContact CB-CE2 4.39Å; I458-F477 HydrophobicContact CB-CZ 3.81Å; I458-F477 HydrophobicContact CG1-CE1 4.3Å; I458-F477 HydrophobicContact CG1-CE2 4.31Å; I458-F477 HydrophobicContact CG1-CZ 3.99Å; I458-F477 HydrophobicContact CG2-CD1 4.36Å; I458-F477 HydrophobicContact CG2-CE1 3.59Å; I458-F477 HydrophobicContact CG2-CZ 3.95Å; I458-F477 PolarHBondContact N-O 2.96Å; I458-F477 PolarHBondContact O-N 3.4Å; F477-V506 HydrophobicContact CE1-CB 4.25Å; F477-V506 HydrophobicContact CE1-CG1 3.84Å; F477-V506 HydrophobicContact CZ-CG1 4.08Å; F477-A508 HydrophobicContact CE2-CB 3.67Å; F477-A508 HydrophobicContact CZ-CB 3.85Å; F477-N517 HydrophobicContact CD2-CB 4.25Å; F477-N517 HydrophobicContact CE2-CB 4.42Å; F477-I519 HydrophobicContact CB-CB 4.02Å; F477-I519 HydrophobicContact CB-CD1 4.18Å; F477-I519 HydrophobicContact CB-CG2 4.5Å; F477-I519 HydrophobicContact CD1-CB 3.59Å; F477-I519 HydrophobicContact CD1-CD1 4.44Å; F477-I519 HydrophobicContact CD1-CG2 3.16Å; F477-I519 HydrophobicContact CE1-CB 4.14Å; F477-I519 HydrophobicContact CE1-CG2 3.36Å; F477-I519 HydrophobicContact CG-CB 3.82Å; F477-I519 HydrophobicContact CG-CG2 3.93Å; F477-I519 HydrophobicContact CZ-CG2 4.27Å
478	D	92	Very high	87.8	Confident	74 Å²	74	62 Å²	62	40%	0.396	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	-177.5	-70.6	-29.6	0	0	0	110.8	T455 T457 T480 N517	T455-D478 HydrophobicContact CG2-CB 3.71Å; T457-D478 WeakPolarHBondContact CA-OD1 3.25Å; T457-D478 WeakPolarHBondContact CB-OD1 3.33Å; T457-D478 VanDerWaalsContact CG2-OD1 3.27Å; T457-D478 WeakPolarHBondContact CG2-OD1 3.47Å; T457-D478 PolarHBondContact OG1-OD1 3.28Å; D478-T480 HydrophobicContact CB-CG2 4.18Å; D478-N517 PolarHBondContact O-ND2 3.44Å
479	L	91.6	Very high	88.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.7	163.5	179.5	65.4	0	0	0	108.4	T455 V456 I492 A508 D510 N517	T455-L479 CarbonylContact C-O 3.57Å; T455-L479 VanDerWaalsContact CA-O 3.25Å; T455-L479 WeakPolarHBondContact CA-O 3.31Å; V456-L479 PolarHBondContact N-O 3.23Å; V456-L479 PolarHBondContact O-N 3.1Å; L479-I492 HydrophobicContact CD2-CD1 3.89Å; L479-I492 HydrophobicContact CD2-CG2 3.65Å; L479-A508 HydrophobicContact CB-CB 4.42Å; L479-A508 HydrophobicContact CD2-CB 4.17Å; L479-D510 HydrophobicContact CD2-CB 4.31Å; L479-N517 HydrophobicContact CD1-CB 3.85Å
480	T	90.9	Very high	88.5	Confident	76 Å²	76	59.4 Å²	59.4	47%	0.466	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	167.7	-178.4	61.7	0	0	0	0	111.5	T455 D478	T455-T480 HydrophobicContact CG2-CG2 3.77Å; D478-T480 HydrophobicContact CB-CG2 4.18Å
481	G	87.3	Confident	89.1	Confident	58 Å²	58	58.5 Å²	58.5	60%	0.598	33%	0.33	S	S	*	.			trans	83.1	20.8	176.2	0	0	0	0	0	114.1	P454 P483	P454-G481 PolarHBondContact O-N 3.01Å; P454-G481 VanDerWaalsContact O-N 3.1Å; G481-P483 WeakPolarHBondContact O-CD 3.5Å
482	I	88.5	Confident	89.7	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-72.6	123.8	177.3	-59	170.4	0	0	0	108.7	T448 P454 V456 P490 I492	T448-I482 HydrophobicContact CG2-CD1 4.42Å; T448-I482 HydrophobicContact CG2-CG2 4.25Å; P454-I482 PolarHBondContact O-N 3.41Å; V456-I482 HydrophobicContact CB-CD1 3.74Å; V456-I482 HydrophobicContact CG2-CD1 3.31Å; I482-P490 HydrophobicContact CG2-CB 3.89Å; I482-P490 HydrophobicContact CG2-CG 3.94Å; I482-I492 HydrophobicContact CD1-CD1 4Å; I482-I492 HydrophobicContact CG1-CD1 4.42Å
483	P	89.4	Confident	90.4	Very high	62 Å²	62	56.5 Å²	56.5	40%	0.403	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.1	145.4	179.5	-24.5	34.3	0	0	0	112.3	G481 A485 T513	G481-P483 WeakPolarHBondContact O-CD 3.5Å; P483-A485 PolarHBondContact O-N 2.91Å; P483-A485 VanDerWaalsContact O-N 3.1Å; P483-T513 VanDerWaalsContact CD-CG2 3.49Å; P483-T513 HydrophobicContact CG-CG2 3.31Å
484	P	90.9	Very high	90.8	Very high	108 Å²	108	53.7 Å²	53.7	70%	0.701	31%	0.308	S	S	*	.	S	Bend	trans	-58.6	116.4	175.3	-23.2	33.4	0	0	0	111.6	N452	N452-P484 HydrophobicContact CB-CB 4.08Å; N452-P484 VanDerWaalsContact OD1-CB 3.28Å; N452-P484 WeakPolarHBondContact OD1-CB 3.44Å
485	A	91.4	Very high	91.5	Very high	26 Å²	26	53.7 Å²	53.7	22%	0.215	31%	0.308	C	S	.	.			trans	-148.3	164	176.5	0	0	0	0	0	110.2	N452 P483 V489 P490	N452-A485 PolarHBondContact N-O 3.02Å; N452-A485 PolarHBondContact OD1-N 3.37Å; P483-A485 PolarHBondContact O-N 2.91Å; P483-A485 VanDerWaalsContact O-N 3.1Å; A485-V489 HydrophobicContact CB-CB 4.17Å; A485-V489 HydrophobicContact CB-CG1 4.23Å; A485-P490 HydrophobicContact CB-CG 4.04Å
486	L	92.9	Very high	91.9	Very high	114 Å²	114	53.6 Å²	53.6	60%	0.597	31%	0.307	S	S	*	.			trans	-59.4	146.7	171.5	-64.1	176.7	0	0	0	110.3	V489 P490	L486-V489 HydrophobicContact CB-CG2 4.03Å; L486-V489 WeakPolarHBondContact O-CB 3.14Å; L486-V489 PolarHBondContact O-N 2.82Å; L486-V489 VanDerWaalsContact O-N 3.11Å; L486-P490 WeakPolarHBondContact O-CD 3.47Å
487	R	89.5	Confident	92.1	Very high	170 Å²	170	51.9 Å²	51.9	64%	0.642	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	143	172.5	69.3	-175.1	-179.3	168.7	-0.9	110.6	D451 V489	D451-R487 WeakPolarHBondContact OD1-CG 3.15Å; D451-R487 PolarHBondContact OD1-N 3.15Å; R487-V489 VanDerWaalsContact C-N 3.26Å; R487-V489 PolarHBondContact O-N 3.39Å
488	G	88.4	Confident	92.1	Very high	47 Å²	47	51.3 Å²	51.3	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-13.2	-176.3	0	0	0	0	0	115.4	T448	T448-G488 PolarHBondContact O-N 3.32Å
489	V	92.4	Very high	92.1	Very high	92 Å²	92	49.2 Å²	49.2	56%	0.558	29%	0.288	S	S	*	.			trans	-84.1	-49	179.6	177.9	0	0	0	0	112.8	A485 L486 R487 Q491	A485-V489 HydrophobicContact CB-CB 4.17Å; A485-V489 HydrophobicContact CB-CG1 4.23Å; L486-V489 HydrophobicContact CB-CG2 4.03Å; L486-V489 WeakPolarHBondContact O-CB 3.14Å; L486-V489 PolarHBondContact O-N 2.82Å; L486-V489 VanDerWaalsContact O-N 3.11Å; R487-V489 VanDerWaalsContact C-N 3.26Å; R487-V489 PolarHBondContact O-N 3.39Å; V489-Q491 PolarHBondContact O-N 3.45Å
490	P	90.9	Very high	92	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.078	31%	0.309	C	S	.	.	S	Bend	trans	-60.5	135.1	174.2	-23.6	35.4	0	0	0	111.3	S447 T448 I482 A485 L486 I492	S447-P490 VanDerWaalsContact CA-O 3.27Å; S447-P490 WeakPolarHBondContact CA-O 3.22Å; S447-P490 VanDerWaalsContact CB-O 3.31Å; S447-P490 WeakPolarHBondContact CB-O 3.32Å; T448-P490 HydrophobicContact CG2-CB 3.98Å; T448-P490 HydrophobicContact CG2-CG 3.83Å; T448-P490 WeakPolarHBondContact OG1-CD 3.34Å; I482-P490 HydrophobicContact CG2-CB 3.89Å; I482-P490 HydrophobicContact CG2-CG 3.94Å; A485-P490 HydrophobicContact CB-CG 4.04Å; L486-P490 WeakPolarHBondContact O-CD 3.47Å; P490-I492 HydrophobicContact CB-CD1 4.35Å
491	Q	93.4	Very high	91.9	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	29%	0.29	S	S	.	.			trans	-108.3	104.3	-179.4	-69.9	-174.2	-6.7	0	0	109.5	I445 V489 K511	I445-Q491 HydrophobicContact CG2-CB 3.92Å; I445-Q491 HydrophobicContact CG2-CG 4.22Å; V489-Q491 PolarHBondContact O-N 3.45Å; Q491-K511 HydrophobicContact CB-CB 4.15Å; Q491-K511 HydrophobicContact CB-CG 4.49Å; Q491-K511 PolarHBondContact O-N 3.13Å
492	I	93.5	Very high	91.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103.5	-177.9	-49.6	-51.7	0	0	0	108.7	F446 V456 L479 I482 P490 V494 A508 E509 D510	F446-I492 PolarHBondContact N-O 2.88Å; F446-I492 PolarHBondContact O-N 2.89Å; V456-I492 HydrophobicContact CG2-CG1 4.3Å; L479-I492 HydrophobicContact CD2-CD1 3.89Å; L479-I492 HydrophobicContact CD2-CG2 3.65Å; I482-I492 HydrophobicContact CD1-CD1 4Å; I482-I492 HydrophobicContact CG1-CD1 4.42Å; P490-I492 HydrophobicContact CB-CD1 4.35Å; I492-V494 HydrophobicContact CG2-CG2 4.34Å; I492-V494 PolarHBondContact O-N 2.94Å; I492-A508 HydrophobicContact CG2-CB 4.25Å; I492-E509 CarbonylContact C-O 3.5Å; I492-E509 WeakPolarHBondContact CA-O 3.42Å; I492-D510 HydrophobicContact CD1-CB 3.78Å
493	E	95.9	Very high	91.7	Very high	45 Å²	45	47.6 Å²	47.6	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.5	173.5	-178.2	178.5	-95	0	0	109.8	I445 A508 E509 K511	I445-E493 HydrophobicContact CG1-CB 4.44Å; E493-A508 CarbonylContact O-C 3.56Å; E493-A508 VanDerWaalsContact O-CA 3.27Å; E493-A508 WeakPolarHBondContact O-CA 3.4Å; E493-E509 PolarHBondContact N-O 3.41Å; E493-E509 PolarHBondContact O-N 3.43Å; E493-K511 HydrophobicContact CB-CG 4.44Å; E493-K511 VanDerWaalsContact OE1-CE 3.27Å; E493-K511 WeakPolarHBondContact OE1-CE 3.26Å; E493-K511 IonicContact OE1-NZ 2.64Å; E493-K511 PolarHBondContact OE1-NZ 3.31Å; E493-K511 VanDerWaalsContact OE2-CE 3.23Å; E493-K511 WeakPolarHBondContact OE2-CE 3.38Å; E493-K511 IonicContact OE2-NZ 2.78Å; E493-K511 PolarHBondContact OE2-NZ 3.4Å
494	V	95.6	Very high	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.5	172.8	-179.3	0	0	0	0	108.4	I421 L431 S443 Q444 F446 I458 I492 F496 V506 S507 A508	I421-V494 HydrophobicContact CD1-CG2 4.25Å; I421-V494 HydrophobicContact CG2-CG1 4.26Å; L431-V494 HydrophobicContact CD2-CG1 4.27Å; S443-V494 CarbonylContact C-O 3.35Å; S443-V494 VanDerWaalsContact CA-O 3.27Å; S443-V494 WeakPolarHBondContact CA-O 3.39Å; Q444-V494 PolarHBondContact N-O 3.02Å; Q444-V494 PolarHBondContact O-N 3.2Å; F446-V494 HydrophobicContact CD2-CB 3.87Å; F446-V494 HydrophobicContact CD2-CG2 3.63Å; F446-V494 HydrophobicContact CE2-CB 3.91Å; F446-V494 HydrophobicContact CE2-CG2 4.12Å; I458-V494 HydrophobicContact CD1-CG2 3.69Å; I458-V494 HydrophobicContact CG1-CG2 4.36Å; I458-V494 HydrophobicContact CG2-CG1 4.36Å; I492-V494 HydrophobicContact CG2-CG2 4.34Å; I492-V494 PolarHBondContact O-N 2.94Å; V494-F496 HydrophobicContact CG1-CD2 4.05Å; V494-F496 HydrophobicContact CG1-CE2 3.71Å; V494-V506 HydrophobicContact CG1-CG1 4Å; V494-S507 CarbonylContact C-O 3.54Å; V494-S507 VanDerWaalsContact CA-O 3.31Å; V494-S507 WeakPolarHBondContact CA-O 3.15Å; V494-A508 HydrophobicContact CG2-CB 4.34Å
495	T	96.6	Very high	91.6	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.3	-176.4	-62	0	0	0	0	110.4	K441 K442 S443 V506 S507	K441-T495 HydrophobicContact CD-CG2 4.36Å; K441-T495 HydrophobicContact CG-CG2 3.92Å; K442-T495 CarbonylContact O-C 3.51Å; K442-T495 WeakPolarHBondContact O-CA 3.44Å; S443-T495 WeakPolarHBondContact CB-OG1 3.36Å; S443-T495 WeakPolarHBondContact OG-CB 3.43Å; S443-T495 VanDerWaalsContact OG-CG2 3.25Å; S443-T495 WeakPolarHBondContact OG-CG2 3.18Å; S443-T495 PolarHBondContact OG-OG1 3.46Å; T495-V506 CarbonylContact O-C 3.51Å; T495-V506 WeakPolarHBondContact O-CA 3.4Å; T495-S507 PolarHBondContact N-O 2.79Å; T495-S507 PolarHBondContact O-N 2.96Å
496	F	96.2	Very high	91.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.5	171.8	-78.3	-129.8	0	0	0	108.3	L419 I421 L431 I432 K441 K442 V460 V494 L504 R505 V506	L419-F496 HydrophobicContact CB-CD1 3.91Å; L419-F496 HydrophobicContact CB-CE1 3.84Å; L419-F496 HydrophobicContact CD1-CD1 4.43Å; I421-F496 HydrophobicContact CG2-CE2 3.6Å; I421-F496 HydrophobicContact CG2-CZ 3.56Å; L431-F496 HydrophobicContact CB-CD2 4.32Å; L431-F496 HydrophobicContact CB-CG 4.38Å; L431-F496 HydrophobicContact CD2-CD2 3.46Å; L431-F496 VanDerWaalsContact CD2-CD2 3.46Å; L431-F496 HydrophobicContact CD2-CE2 3.72Å; L431-F496 HydrophobicContact CD2-CG 4.25Å; L431-F496 HydrophobicContact CG-CD2 4.43Å; I432-F496 HydrophobicContact CD1-CB 3.53Å; I432-F496 HydrophobicContact CD1-CD1 4.44Å; I432-F496 HydrophobicContact CD1-CG 4.44Å; I432-F496 HydrophobicContact CG1-CB 4.14Å; K441-F496 CarbonylContact C-O 3.56Å; K441-F496 VanDerWaalsContact CA-O 3.32Å; K441-F496 WeakPolarHBondContact CA-O 3.33Å; K442-F496 PolarHBondContact N-O 3.3Å; K442-F496 PolarHBondContact O-N 3.2Å; V460-F496 HydrophobicContact CB-CZ 4.5Å; V460-F496 HydrophobicContact CG1-CE1 3.75Å; V460-F496 HydrophobicContact CG1-CZ 3.77Å; V460-F496 HydrophobicContact CG2-CZ 4.13Å; V494-F496 HydrophobicContact CG1-CD2 4.05Å; V494-F496 HydrophobicContact CG1-CE2 3.71Å; F496-L504 HydrophobicContact CB-CD1 4.28Å; F496-L504 HydrophobicContact CD1-CD1 3.72Å; F496-L504 HydrophobicContact CD1-CD2 4.4Å; F496-L504 HydrophobicContact CE1-CD1 4.45Å; F496-L504 HydrophobicContact CE1-CD2 4.35Å; F496-L504 HydrophobicContact CG-CD1 4.3Å; F496-R505 WeakPolarHBondContact CA-O 3.34Å; F496-V506 HydrophobicContact CD1-CG2 3.98Å; F496-V506 HydrophobicContact CD2-CG1 3.87Å; F496-V506 HydrophobicContact CD2-CG2 4.03Å; F496-V506 HydrophobicContact CE1-CG2 3.89Å; F496-V506 HydrophobicContact CE2-CB 4.42Å; F496-V506 HydrophobicContact CE2-CG1 3.55Å; F496-V506 HydrophobicContact CE2-CG2 3.95Å; F496-V506 HydrophobicContact CG-CG2 4.04Å; F496-V506 HydrophobicContact CZ-CG1 4.11Å; F496-V506 HydrophobicContact CZ-CG2 3.88Å
497	E	95.1	Very high	91.7	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.2	176.7	-172.2	176.2	131.6	0	0	108.4	T440 K441 R505	T440-E497 WeakPolarHBondContact O-CA 3.45Å; K441-E497 WeakPolarHBondContact CE-OE2 3.24Å; K441-E497 HydrophobicContact CG-CB 4.45Å; K441-E497 IonicContact NZ-OE2 3.38Å; K441-E497 PolarHBondContact NZ-OE2 3.46Å; E497-R505 HydrophobicContact CB-CB 4.4Å; E497-R505 PolarHBondContact N-O 2.89Å; E497-R505 PolarHBondContact O-N 2.99Å
498	I	91.5	Very high	92	Very high	7 Å²	7	32 Å²	32	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.5	175.1	-50.6	174.8	0	0	0	107.7	C415 L419 I432 I438 P439 T440 I503 L504	C415-I498 HydrophobicContact CB-CD1 4.23Å; L419-I498 HydrophobicContact CD1-CD1 3.59Å; L419-I498 HydrophobicContact CD1-CG1 4.22Å; I432-I498 HydrophobicContact CD1-CD1 3.71Å; I432-I498 HydrophobicContact CD1-CG1 3.87Å; I432-I498 HydrophobicContact CG2-CD1 4.1Å; I438-I498 HydrophobicContact CB-CG2 4.26Å; I438-I498 HydrophobicContact CD1-CG2 4.49Å; I438-I498 HydrophobicContact CG2-CB 4.03Å; I438-I498 HydrophobicContact CG2-CD1 4.11Å; I438-I498 HydrophobicContact CG2-CG2 3.74Å; P439-I498 CarbonylContact C-O 3.55Å; P439-I498 WeakPolarHBondContact CA-O 3.25Å; P439-I498 WeakPolarHBondContact CB-O 3.38Å; T440-I498 HydrophobicContact CG2-CB 4.32Å; T440-I498 HydrophobicContact CG2-CD1 4.15Å; T440-I498 HydrophobicContact CG2-CG1 4.32Å; T440-I498 PolarHBondContact N-O 3.48Å; T440-I498 PolarHBondContact O-N 3.35Å; I498-I503 WeakPolarHBondContact CA-O 3.2Å; I498-L504 HydrophobicContact CG1-CD1 4Å
499	D	91.2	Very high	92.2	Very high	30 Å²	30	31.3 Å²	31.3	16%	0.16	17%	0.165	C	C	.	.			trans	-87.7	-177	179.6	78.9	4.5	0	0	0	113.4	N501 G502 I503	D499-N501 PolarHBondContact O-N 3.24Å; D499-N501 WeakPolarHBondContact OD1-CA 3.25Å; D499-N501 WeakPolarHBondContact OD1-CB 3.45Å; D499-N501 PolarHBondContact OD1-N 3.25Å; D499-G502 PolarHBondContact O-N 3.39Å; D499-G502 VanDerWaalsContact O-N 3.08Å; D499-G502 PolarHBondContact OD1-N 2.68Å; D499-I503 PolarHBondContact N-O 2.96Å; D499-I503 PolarHBondContact OD1-N 2.68Å
500	V	90.5	Very high	92.2	Very high	74 Å²	74	27.1 Å²	27.1	45%	0.448	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.1	-179.9	-63	0	0	0	0	114.4	P439	P439-V500 HydrophobicContact CB-CG1 4.23Å; P439-V500 HydrophobicContact CG-CG1 3.87Å
501	N	87.8	Confident	92.2	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.6	176.3	-61.5	-59.4	0	0	0	112	R177 R193 I194 D499 I503	R177-N501 PolarHBondContact NH1-O 2.74Å; R193-N501 WeakPolarHBondContact CA-OD1 3.19Å; I194-N501 HydrophobicContact CB-CB 4.31Å; I194-N501 PolarHBondContact N-OD1 3.35Å; D499-N501 PolarHBondContact O-N 3.24Å; D499-N501 WeakPolarHBondContact OD1-CA 3.25Å; D499-N501 WeakPolarHBondContact OD1-CB 3.45Å; D499-N501 PolarHBondContact OD1-N 3.25Å; N501-I503 HydrophobicContact CB-CD1 4.15Å; N501-I503 HydrophobicContact CB-CG1 4.18Å
502	G	86.3	Confident	91.9	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	16%	0.164	C	C	.	.			trans	80.1	19	-174.9	0	0	0	0	0	113.9	D499	D499-G502 PolarHBondContact O-N 3.39Å; D499-G502 VanDerWaalsContact O-N 3.08Å; D499-G502 PolarHBondContact OD1-N 2.68Å
503	I	85.9	Confident	91.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	19%	0.185	C	C	.	.			trans	-85.6	129.7	-179.4	-63.3	172.5	0	0	0	110.1	D174 I498 D499 N501	D174-I503 WeakPolarHBondContact OD1-CA 3.26Å; D174-I503 VanDerWaalsContact OD1-CG2 3.3Å; D174-I503 WeakPolarHBondContact OD1-CG2 3.44Å; I498-I503 WeakPolarHBondContact CA-O 3.2Å; D499-I503 PolarHBondContact N-O 2.96Å; D499-I503 PolarHBondContact OD1-N 2.68Å; N501-I503 HydrophobicContact CB-CD1 4.15Å; N501-I503 HydrophobicContact CB-CG1 4.18Å
504	L	87.9	Confident	90.8	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.1	-174.1	176.3	63.2	0	0	0	112.6	D174 L419 V460 L474 F496 I498 V506 I521	D174-L504 HydrophobicContact CB-CB 4.47Å; D174-L504 PolarHBondContact OD1-N 3.22Å; L419-L504 HydrophobicContact CD1-CD1 3.92Å; L419-L504 HydrophobicContact CD1-CD2 3.96Å; L419-L504 HydrophobicContact CD1-CG 4.44Å; L419-L504 HydrophobicContact CD2-CD2 4.15Å; V460-L504 HydrophobicContact CG1-CD2 4.09Å; L474-L504 HydrophobicContact CD1-CD2 4.02Å; F496-L504 HydrophobicContact CB-CD1 4.28Å; F496-L504 HydrophobicContact CD1-CD1 3.72Å; F496-L504 HydrophobicContact CD1-CD2 4.4Å; F496-L504 HydrophobicContact CE1-CD1 4.45Å; F496-L504 HydrophobicContact CE1-CD2 4.35Å; F496-L504 HydrophobicContact CG-CD1 4.3Å; I498-L504 HydrophobicContact CG1-CD1 4Å; L504-V506 HydrophobicContact CD1-CG2 3.98Å; L504-V506 HydrophobicContact CD2-CG2 4.09Å; L504-V506 HydrophobicContact CG-CG2 3.91Å; L504-I521 HydrophobicContact CD2-CB 4.42Å; L504-I521 HydrophobicContact CD2-CG1 4.06Å; L504-I521 HydrophobicContact CG-CB 4.49Å; L504-I521 HydrophobicContact CG-CG1 4.23Å; L504-I521 PolarHBondContact O-N 2.81Å
505	R	91.1	Very high	90	Very high	103 Å²	103	34 Å²	34	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.7	169.1	-64.2	177.4	-178.5	138.6	8.7	110.2	F496 E497 E520	F496-R505 WeakPolarHBondContact CA-O 3.34Å; E497-R505 HydrophobicContact CB-CB 4.4Å; E497-R505 PolarHBondContact N-O 2.89Å; E497-R505 PolarHBondContact O-N 2.99Å; R505-E520 HydrophobicContact CG-CB 4.4Å; R505-E520 HydrophobicContact CG-CG 4.1Å; R505-E520 IonicContact CZ-OE1 3.75Å; R505-E520 IonicContact NE-OE1 2.7Å; R505-E520 PolarHBondContact NE-OE1 2.96Å; R505-E520 IonicContact NH2-OE1 3.5Å; R505-E520 PolarHBondContact NH2-OE1 3.35Å
506	V	92.8	Very high	89.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.3	177.7	-175.3	0	0	0	0	109.8	I458 V460 F477 V494 T495 F496 L504 I519 I521	I458-V506 HydrophobicContact CG2-CG1 4.43Å; V460-V506 HydrophobicContact CG1-CG2 4.17Å; V460-V506 HydrophobicContact CG2-CB 4.19Å; V460-V506 HydrophobicContact CG2-CG1 3.94Å; V460-V506 HydrophobicContact CG2-CG2 4Å; F477-V506 HydrophobicContact CE1-CB 4.25Å; F477-V506 HydrophobicContact CE1-CG1 3.84Å; F477-V506 HydrophobicContact CZ-CG1 4.08Å; V494-V506 HydrophobicContact CG1-CG1 4Å; T495-V506 CarbonylContact O-C 3.51Å; T495-V506 WeakPolarHBondContact O-CA 3.4Å; F496-V506 HydrophobicContact CD1-CG2 3.98Å; F496-V506 HydrophobicContact CD2-CG1 3.87Å; F496-V506 HydrophobicContact CD2-CG2 4.03Å; F496-V506 HydrophobicContact CE1-CG2 3.89Å; F496-V506 HydrophobicContact CE2-CB 4.42Å; F496-V506 HydrophobicContact CE2-CG1 3.55Å; F496-V506 HydrophobicContact CE2-CG2 3.95Å; F496-V506 HydrophobicContact CG-CG2 4.04Å; F496-V506 HydrophobicContact CZ-CG1 4.11Å; F496-V506 HydrophobicContact CZ-CG2 3.88Å; L504-V506 HydrophobicContact CD1-CG2 3.98Å; L504-V506 HydrophobicContact CD2-CG2 4.09Å; L504-V506 HydrophobicContact CG-CG2 3.91Å; V506-I519 CarbonylContact C-O 3.51Å; V506-I519 HydrophobicContact CB-CG2 4.06Å; V506-I519 PolarHBondContact N-O 3.13Å; V506-I519 CarbonylContact O-C 3.49Å; V506-I519 PolarHBondContact O-N 3.02Å; V506-I521 HydrophobicContact CB-CG1 4.3Å; V506-I521 HydrophobicContact CG2-CD1 4.32Å; V506-I521 HydrophobicContact CG2-CG1 3.78Å
507	S	94.2	Very high	88.5	Confident	43 Å²	43	43.2 Å²	43.2	30%	0.301	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.1	176.9	54.8	0	0	0	0	111	V494 T495	V494-S507 CarbonylContact C-O 3.54Å; V494-S507 VanDerWaalsContact CA-O 3.31Å; V494-S507 WeakPolarHBondContact CA-O 3.15Å; T495-S507 PolarHBondContact N-O 2.79Å; T495-S507 PolarHBondContact O-N 2.96Å
508	A	93.7	Very high	87.7	Confident	1 Å²	1	48 Å²	48	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.3	174.7	0	0	0	0	0	110	I458 F477 L479 I492 E493 V494 K516 N517	I458-A508 HydrophobicContact CG1-CB 3.93Å; F477-A508 HydrophobicContact CE2-CB 3.67Å; F477-A508 HydrophobicContact CZ-CB 3.85Å; L479-A508 HydrophobicContact CB-CB 4.42Å; L479-A508 HydrophobicContact CD2-CB 4.17Å; I492-A508 HydrophobicContact CG2-CB 4.25Å; E493-A508 CarbonylContact O-C 3.56Å; E493-A508 VanDerWaalsContact O-CA 3.27Å; E493-A508 WeakPolarHBondContact O-CA 3.4Å; V494-A508 HydrophobicContact CG2-CB 4.34Å; A508-K516 WeakPolarHBondContact O-CA 3.33Å; A508-N517 PolarHBondContact N-O 3.39Å; A508-N517 PolarHBondContact O-N 2.83Å
509	E	93.6	Very high	86.8	Confident	31 Å²	31	48.3 Å²	48.3	15%	0.145	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.6	179	169.7	174.9	-162.1	0	0	110.2	I492 E493 K511 S515 K516	I492-E509 CarbonylContact C-O 3.5Å; I492-E509 WeakPolarHBondContact CA-O 3.42Å; E493-E509 PolarHBondContact N-O 3.41Å; E493-E509 PolarHBondContact O-N 3.43Å; E509-K511 HydrophobicContact CG-CD 4.34Å; E509-K511 PolarHBondContact O-N 2.96Å; E509-K511 IonicContact OE1-NZ 2.75Å; E509-K511 IonicContact OE2-NZ 2.87Å; E509-K511 PolarHBondContact OE2-NZ 3.47Å; E509-K511 VanDerWaalsContact OE2-NZ 3.08Å; E509-S515 CarbonylContact C-O 3.49Å; E509-S515 WeakPolarHBondContact CA-O 3.17Å; E509-K516 HydrophobicContact CB-CD 4.23Å; E509-K516 HydrophobicContact CB-CG 3.92Å; E509-K516 HydrophobicContact CG-CD 4.17Å; E509-K516 HydrophobicContact CG-CG 3.82Å; E509-K516 WeakPolarHBondContact OE1-CE 3.43Å; E509-K516 IonicContact OE1-NZ 3.26Å; E509-K516 PolarHBondContact OE1-NZ 2.82Å; E509-K516 WeakPolarHBondContact OE2-CE 3.37Å; E509-K516 IonicContact OE2-NZ 2.61Å; E509-K516 PolarHBondContact OE2-NZ 3.26Å
510	D	93	Very high	85.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.8	164.4	170.9	29.9	0	0	0	109.6	L479 I492 G512 T513 G514 S515	L479-D510 HydrophobicContact CD2-CB 4.31Å; I492-D510 HydrophobicContact CD1-CB 3.78Å; D510-G512 PolarHBondContact O-N 2.75Å; D510-G512 PolarHBondContact OD1-N 3.36Å; D510-T513 PolarHBondContact O-N 2.87Å; D510-T513 WeakPolarHBondContact OD2-CB 3.21Å; D510-T513 VanDerWaalsContact OD2-CG2 3.28Å; D510-T513 WeakPolarHBondContact OD2-CG2 3.22Å; D510-T513 PolarHBondContact OD2-N 3.39Å; D510-T513 PolarHBondContact OD2-OG1 3.27Å; D510-G514 VanDerWaalsContact O-CA 3.32Å; D510-G514 WeakPolarHBondContact O-CA 3.45Å; D510-G514 PolarHBondContact O-N 3.48Å; D510-S515 PolarHBondContact N-O 2.79Å
511	K	91.3	Very high	84.2	Confident	83 Å²	83	45.1 Å²	45.1	36%	0.361	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.2	-180	-65.7	-63	-177	-167.1	0	113.5	Q491 E493 E509	Q491-K511 HydrophobicContact CB-CB 4.15Å; Q491-K511 HydrophobicContact CB-CG 4.49Å; Q491-K511 PolarHBondContact O-N 3.13Å; E493-K511 HydrophobicContact CB-CG 4.44Å; E493-K511 VanDerWaalsContact OE1-CE 3.27Å; E493-K511 WeakPolarHBondContact OE1-CE 3.26Å; E493-K511 IonicContact OE1-NZ 2.64Å; E493-K511 PolarHBondContact OE1-NZ 3.31Å; E493-K511 VanDerWaalsContact OE2-CE 3.23Å; E493-K511 WeakPolarHBondContact OE2-CE 3.38Å; E493-K511 IonicContact OE2-NZ 2.78Å; E493-K511 PolarHBondContact OE2-NZ 3.4Å; E509-K511 HydrophobicContact CG-CD 4.34Å; E509-K511 PolarHBondContact O-N 2.96Å; E509-K511 IonicContact OE1-NZ 2.75Å; E509-K511 IonicContact OE2-NZ 2.87Å; E509-K511 PolarHBondContact OE2-NZ 3.47Å; E509-K511 VanDerWaalsContact OE2-NZ 3.08Å
512	G	85.6	Confident	82.7	Confident	71 Å²	71	45.1 Å²	45.1	73%	0.732	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-43.4	177.1	0	0	0	0	0	113.1	D510	D510-G512 PolarHBondContact O-N 2.75Å; D510-G512 PolarHBondContact OD1-N 3.36Å
513	T	85.4	Confident	81	Confident	69 Å²	69	50 Å²	50	42%	0.423	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-18.8	-177.6	57.1	0	0	0	0	114.3	P483 D510 S515	P483-T513 VanDerWaalsContact CD-CG2 3.49Å; P483-T513 HydrophobicContact CG-CG2 3.31Å; D510-T513 PolarHBondContact O-N 2.87Å; D510-T513 WeakPolarHBondContact OD2-CB 3.21Å; D510-T513 VanDerWaalsContact OD2-CG2 3.28Å; D510-T513 WeakPolarHBondContact OD2-CG2 3.22Å; D510-T513 PolarHBondContact OD2-N 3.39Å; D510-T513 PolarHBondContact OD2-OG1 3.27Å; T513-S515 PolarHBondContact O-N 3.12Å; T513-S515 VanDerWaalsContact OG1-CB 3.24Å; T513-S515 WeakPolarHBondContact OG1-CB 3.25Å; T513-S515 PolarHBondContact OG1-N 2.83Å; T513-S515 VanDerWaalsContact OG1-N 3.16Å
514	G	80.8	Confident	79.3	Confident	39 Å²	39	55.6 Å²	55.6	40%	0.402	30%	0.299	S	S	.	.			trans	72.3	6.2	-166.6	0	0	0	0	0	113.4	D510 K516	D510-G514 VanDerWaalsContact O-CA 3.32Å; D510-G514 WeakPolarHBondContact O-CA 3.45Å; D510-G514 PolarHBondContact O-N 3.48Å; G514-K516 WeakPolarHBondContact O-CG 3.18Å; G514-K516 PolarHBondContact O-N 3.22Å
515	S	80	Confident	77.6	Confident	46 Å²	46	60 Å²	60	32%	0.322	32%	0.32	S	S	.	.			trans	-62.7	124	174.7	-174.8	0	0	0	0	109.3	E509 D510 T513	E509-S515 CarbonylContact C-O 3.49Å; E509-S515 WeakPolarHBondContact CA-O 3.17Å; D510-S515 PolarHBondContact N-O 2.79Å; T513-S515 PolarHBondContact O-N 3.12Å; T513-S515 VanDerWaalsContact OG1-CB 3.24Å; T513-S515 WeakPolarHBondContact OG1-CB 3.25Å; T513-S515 PolarHBondContact OG1-N 2.83Å; T513-S515 VanDerWaalsContact OG1-N 3.16Å
516	K	81	Confident	75.9	Confident	139 Å²	139	57.9 Å²	57.9	60%	0.604	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.3	177.7	-49.3	-161.8	-167.8	-143.9	0	109.5	A508 E509 G514	A508-K516 WeakPolarHBondContact O-CA 3.33Å; E509-K516 HydrophobicContact CB-CD 4.23Å; E509-K516 HydrophobicContact CB-CG 3.92Å; E509-K516 HydrophobicContact CG-CD 4.17Å; E509-K516 HydrophobicContact CG-CG 3.82Å; E509-K516 WeakPolarHBondContact OE1-CE 3.43Å; E509-K516 IonicContact OE1-NZ 3.26Å; E509-K516 PolarHBondContact OE1-NZ 2.82Å; E509-K516 WeakPolarHBondContact OE2-CE 3.37Å; E509-K516 IonicContact OE2-NZ 2.61Å; E509-K516 PolarHBondContact OE2-NZ 3.26Å; G514-K516 WeakPolarHBondContact O-CG 3.18Å; G514-K516 PolarHBondContact O-N 3.22Å
517	N	79.3	Confident	74.4	Confident	62 Å²	62	60.9 Å²	60.9	33%	0.332	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.8	161	-154.2	-9	0	0	0	108.9	F477 D478 L479 A508	F477-N517 HydrophobicContact CD2-CB 4.25Å; F477-N517 HydrophobicContact CE2-CB 4.42Å; D478-N517 PolarHBondContact O-ND2 3.44Å; L479-N517 HydrophobicContact CD1-CB 3.85Å; A508-N517 PolarHBondContact N-O 3.39Å; A508-N517 PolarHBondContact O-N 2.83Å
518	K	78.3	Confident	72.8	Confident	167 Å²	167	59.1 Å²	59.1	73%	0.726	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.2	178.8	65.4	178.8	-178.1	177.2	0	109.8
519	I	72.5	Confident	71.7	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	165.1	-161.8	172.1	0	0	0	107.6	K476 F477 V506 I521	K476-I519 WeakPolarHBondContact O-CD1 3.44Å; F477-I519 HydrophobicContact CB-CB 4.02Å; F477-I519 HydrophobicContact CB-CD1 4.18Å; F477-I519 HydrophobicContact CB-CG2 4.5Å; F477-I519 HydrophobicContact CD1-CB 3.59Å; F477-I519 HydrophobicContact CD1-CD1 4.44Å; F477-I519 HydrophobicContact CD1-CG2 3.16Å; F477-I519 HydrophobicContact CE1-CB 4.14Å; F477-I519 HydrophobicContact CE1-CG2 3.36Å; F477-I519 HydrophobicContact CG-CB 3.82Å; F477-I519 HydrophobicContact CG-CG2 3.93Å; F477-I519 HydrophobicContact CZ-CG2 4.27Å; V506-I519 CarbonylContact C-O 3.51Å; V506-I519 HydrophobicContact CB-CG2 4.06Å; V506-I519 PolarHBondContact N-O 3.13Å; V506-I519 CarbonylContact O-C 3.49Å; V506-I519 PolarHBondContact O-N 3.02Å; I519-I521 HydrophobicContact CD1-CD1 4.39Å; I519-I521 HydrophobicContact CG2-CD1 3.49Å; I519-I521 VanDerWaalsContact CG2-CD1 3.49Å; I519-I521 HydrophobicContact CG2-CG1 4.05Å
520	E	63.3	Low	70.6	Confident	35 Å²	35	64.9 Å²	64.9	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112	153.9	179.5	160.8	-133.7	0	0	104.1	R505 N522 K523	R505-E520 HydrophobicContact CG-CB 4.4Å; R505-E520 HydrophobicContact CG-CG 4.1Å; R505-E520 IonicContact CZ-OE1 3.75Å; R505-E520 IonicContact NE-OE1 2.7Å; R505-E520 PolarHBondContact NE-OE1 2.96Å; R505-E520 IonicContact NH2-OE1 3.5Å; R505-E520 PolarHBondContact NH2-OE1 3.35Å; E520-N522 PolarHBondContact O-N 2.92Å; E520-K523 HydrophobicContact CB-CB 4Å; E520-K523 HydrophobicContact CB-CD 4.27Å; E520-K523 HydrophobicContact CG-CB 4.33Å; E520-K523 WeakPolarHBondContact O-CB 3.43Å; E520-K523 PolarHBondContact O-N 2.9Å; E520-K523 WeakPolarHBondContact OE2-CD 3.44Å; E520-K523 IonicContact OE2-NZ 3.19Å; E520-K523 PolarHBondContact OE2-NZ 3.3Å
521	I	64.3	Low	69.9	Low	2 Å²	2	72 Å²	72	1%	0.01	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.8	-176.9	-66.9	-67.8	0	0	0	106.8	D174 V460 L474 L504 V506 I519 K523	D174-I521 VanDerWaalsContact OD2-O 3.07Å; V460-I521 HydrophobicContact CB-CD1 3.75Å; V460-I521 HydrophobicContact CG1-CD1 4.07Å; V460-I521 HydrophobicContact CG1-CG1 4.3Å; V460-I521 HydrophobicContact CG2-CD1 3.73Å; L474-I521 HydrophobicContact CB-CG2 3.75Å; L504-I521 HydrophobicContact CD2-CB 4.42Å; L504-I521 HydrophobicContact CD2-CG1 4.06Å; L504-I521 HydrophobicContact CG-CB 4.49Å; L504-I521 HydrophobicContact CG-CG1 4.23Å; L504-I521 PolarHBondContact O-N 2.81Å; V506-I521 HydrophobicContact CB-CG1 4.3Å; V506-I521 HydrophobicContact CG2-CD1 4.32Å; V506-I521 HydrophobicContact CG2-CG1 3.78Å; I519-I521 HydrophobicContact CD1-CD1 4.39Å; I519-I521 HydrophobicContact CG2-CD1 3.49Å; I519-I521 VanDerWaalsContact CG2-CD1 3.49Å; I519-I521 HydrophobicContact CG2-CG1 4.05Å; I521-K523 PolarHBondContact O-N 2.76Å
522	N	56.9	Low	69.2	Low	15 Å²	15	70.3 Å²	70.3	8%	0.08	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-3.2	-171.5	-56.6	-50.4	0	0	0	119.4	D174 A175 E520 D524 R527	D174-N522 PolarHBondContact OD2-ND2 2.95Å; A175-N522 WeakPolarHBondContact CA-ND2 3.13Å; A175-N522 WeakPolarHBondContact CB-ND2 3.41Å; A175-N522 PolarHBondContact N-ND2 3.02Å; E520-N522 PolarHBondContact O-N 2.92Å; N522-D524 PolarHBondContact O-N 2.9Å; N522-R527 WeakPolarHBondContact O-CD 3.47Å; N522-R527 WeakPolarHBondContact O-CG 3.29Å
523	K	51.1	Low	68.6	Low	115 Å²	115	68 Å²	68	50%	0.5	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.2	175.4	-156.9	176.6	-162	146.1	0	113.5	E520 I521	E520-K523 HydrophobicContact CB-CB 4Å; E520-K523 HydrophobicContact CB-CD 4.27Å; E520-K523 HydrophobicContact CG-CB 4.33Å; E520-K523 WeakPolarHBondContact O-CB 3.43Å; E520-K523 PolarHBondContact O-N 2.9Å; E520-K523 WeakPolarHBondContact OE2-CD 3.44Å; E520-K523 IonicContact OE2-NZ 3.19Å; E520-K523 PolarHBondContact OE2-NZ 3.3Å; I521-K523 PolarHBondContact O-N 2.76Å
524	D	48.9	Very low	68.4	Low	123 Å²	123	70.5 Å²	70.5	66%	0.658	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-17.9	-163.6	-59.9	-34.8	0	0	0	116.7	N522	N522-D524 PolarHBondContact O-N 2.9Å
525	Q	52	Low	68.5	Low	99 Å²	99	75 Å²	75	46%	0.463	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-25.8	-167.3	-73.5	-174.9	-6.6	0	0	116.6
526	H	56	Low	68.7	Low	58 Å²	58	73.5 Å²	73.5	27%	0.269	36%	0.356	S	S	.	.	S	Bend	trans	-145.8	11.5	-173.3	-58.9	-61.6	0	0	0	114.7	K99	K99-H526 WeakPolarHBondContact CE-NE2 3.28Å
527	R	61.9	Low	68.6	Low	64 Å²	64	69.1 Å²	69.1	24%	0.242	34%	0.339	C	S	.	.	S	Bend	trans	-86.9	161.3	176.1	-79	-179.1	76.4	173.1	-0.1	111.6	Q178 D182 N522 D529	Q178-R527 VanDerWaalsContact CD-NH2 3.26Å; D182-R527 IonicContact OD1-CZ 3.78Å; D182-R527 IonicContact OD1-NH2 3.85Å; D182-R527 PolarHBondContact OD1-NH2 3.34Å; D182-R527 IonicContact OD2-CZ 2.81Å; D182-R527 IonicContact OD2-NE 3.45Å; D182-R527 PolarHBondContact OD2-NE 3.3Å; D182-R527 IonicContact OD2-NH2 3.3Å; D182-R527 PolarHBondContact OD2-NH2 3.31Å; N522-R527 WeakPolarHBondContact O-CD 3.47Å; N522-R527 WeakPolarHBondContact O-CG 3.29Å; R527-D529 PolarHBondContact O-N 2.96Å
528	L	60.5	Low	68.8	Low	5 Å²	5	69.7 Å²	69.7	3%	0.026	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-63.6	125.9	157.5	-59	169.9	0	0	0	107.4	A137 E139 I186 E532 I533 M536	A137-L528 HydrophobicContact CB-CD2 4.3Å; E139-L528 HydrophobicContact CB-CD1 4.11Å; E139-L528 HydrophobicContact CG-CD1 4.39Å; I186-L528 HydrophobicContact CD1-CD1 3.95Å; L528-E532 VanDerWaalsContact CA-OE2 3.32Å; L528-E532 WeakPolarHBondContact CA-OE2 3.4Å; L528-E532 HydrophobicContact CB-CB 4.16Å; L528-E532 HydrophobicContact CD2-CB 4.3Å; L528-I533 HydrophobicContact CB-CD1 4.17Å; L528-I533 HydrophobicContact CB-CG1 3.52Å; L528-I533 HydrophobicContact CD1-CG1 4.19Å; L528-M536 HydrophobicContact CD1-CE 4.09Å; L528-M536 HydrophobicContact CD1-SD 3.33Å; L528-M536 WeakPolarHBondContact CD1-SD 3.08Å; L528-M536 HydrophobicContact CD2-CE 3.3Å; L528-M536 HydrophobicContact CD2-SD 3.77Å; L528-M536 HydrophobicContact CG-CE 4.27Å; L528-M536 HydrophobicContact CG-SD 4.1Å
529	D	69.5	Low	68.9	Low	72 Å²	72	63.9 Å²	63.9	39%	0.385	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68	166.2	170	63.4	43.4	0	0	0	110.3	R527 E531 E532 I533	R527-D529 PolarHBondContact O-N 2.96Å; D529-E531 PolarHBondContact O-N 2.84Å; D529-E531 WeakPolarHBondContact OD1-CB 3.21Å; D529-E531 PolarHBondContact OD1-N 3.44Å; D529-E531 VanDerWaalsContact OD1-N 3.15Å; D529-E532 PolarHBondContact N-OE2 2.79Å; D529-E532 PolarHBondContact O-N 2.79Å; D529-E532 VanDerWaalsContact O-N 3.17Å; D529-E532 WeakPolarHBondContact OD1-CB 3.4Å; D529-E532 WeakPolarHBondContact OD1-CG 3.37Å; D529-E532 PolarHBondContact OD1-N 3.21Å; D529-I533 WeakPolarHBondContact O-CG1 3.31Å; D529-I533 PolarHBondContact O-N 2.82Å
530	A	71.4	Confident	69.2	Low	81 Å²	81	64.5 Å²	64.5	67%	0.669	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-30.7	-176.8	0	0	0	0	0	112.4	E534	A530-E534 VanDerWaalsContact O-CB 3.3Å; A530-E534 WeakPolarHBondContact O-CB 3.38Å; A530-E534 PolarHBondContact O-N 2.82Å
531	E	78.6	Confident	70	Confident	153 Å²	153	68.7 Å²	68.7	72%	0.715	35%	0.345	S	S	*	.	H	α-helix	trans	-73.9	-39.4	177.6	-60	178.7	-177	0	0	111.2	D529 E534 K535	D529-E531 PolarHBondContact O-N 2.84Å; D529-E531 WeakPolarHBondContact OD1-CB 3.21Å; D529-E531 PolarHBondContact OD1-N 3.44Å; D529-E531 VanDerWaalsContact OD1-N 3.15Å; E531-E534 PolarHBondContact O-N 3.45Å; E531-K535 VanDerWaalsContact O-CB 3.26Å; E531-K535 WeakPolarHBondContact O-CB 3.22Å; E531-K535 PolarHBondContact O-N 3.16Å
532	E	76.8	Confident	70.9	Confident	48 Å²	48	74.5 Å²	74.5	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-45.4	172.3	-76.5	177.2	169.5	0	0	110.1	K120 L528 D529 K535 M536	K120-E532 IonicContact NZ-OE1 2.75Å; K120-E532 PolarHBondContact NZ-OE1 2.75Å; L528-E532 VanDerWaalsContact CA-OE2 3.32Å; L528-E532 WeakPolarHBondContact CA-OE2 3.4Å; L528-E532 HydrophobicContact CB-CB 4.16Å; L528-E532 HydrophobicContact CD2-CB 4.3Å; D529-E532 PolarHBondContact N-OE2 2.79Å; D529-E532 PolarHBondContact O-N 2.79Å; D529-E532 VanDerWaalsContact O-N 3.17Å; D529-E532 WeakPolarHBondContact OD1-CB 3.4Å; D529-E532 WeakPolarHBondContact OD1-CG 3.37Å; D529-E532 PolarHBondContact OD1-N 3.21Å; E532-K535 PolarHBondContact O-N 2.66Å; E532-M536 WeakPolarHBondContact O-CB 3.28Å; E532-M536 WeakPolarHBondContact O-CG 3.39Å; E532-M536 PolarHBondContact O-N 2.85Å
533	I	73	Confident	71.9	Confident	22 Å²	22	74.9 Å²	74.9	11%	0.113	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-47.5	174.4	-66	176.6	0	0	0	110.7	D182 T185 I186 L528 D529 K535 M536 I537	D182-I533 HydrophobicContact CB-CD1 4.45Å; T185-I533 HydrophobicContact CG2-CG2 4.29Å; I186-I533 HydrophobicContact CG1-CG2 4.5Å; L528-I533 HydrophobicContact CB-CD1 4.17Å; L528-I533 HydrophobicContact CB-CG1 3.52Å; L528-I533 HydrophobicContact CD1-CG1 4.19Å; D529-I533 WeakPolarHBondContact O-CG1 3.31Å; D529-I533 PolarHBondContact O-N 2.82Å; I533-K535 VanDerWaalsContact C-N 3.32Å; I533-K535 PolarHBondContact O-N 2.82Å; I533-M536 CarbonylContact O-C 3.57Å; I533-M536 PolarHBondContact O-N 2.91Å; I533-M536 VanDerWaalsContact O-N 3.12Å; I533-I537 HydrophobicContact CG2-CD1 3.81Å; I533-I537 HydrophobicContact CG2-CG1 4.3Å; I533-I537 VanDerWaalsContact O-CG1 3.28Å; I533-I537 WeakPolarHBondContact O-CG1 3.42Å; I533-I537 PolarHBondContact O-N 2.97Å
534	E	79.4	Confident	73.2	Confident	123 Å²	123	71.9 Å²	71.9	58%	0.575	37%	0.369	S	S	*	.	H	α-helix	trans	-61.7	-41.7	178.9	-174.8	175.7	-174.2	0	0	111.4	A530 E531 M536 I537 N538	A530-E534 VanDerWaalsContact O-CB 3.3Å; A530-E534 WeakPolarHBondContact O-CB 3.38Å; A530-E534 PolarHBondContact O-N 2.82Å; E531-E534 PolarHBondContact O-N 3.45Å; E534-M536 VanDerWaalsContact C-N 3.34Å; E534-M536 PolarHBondContact O-N 3.41Å; E534-I537 PolarHBondContact O-N 3.31Å; E534-N538 PolarHBondContact O-N 2.8Å; E534-N538 PolarHBondContact O-ND2 2.86Å
535	K	83.8	Confident	74.7	Confident	133 Å²	133	68.5 Å²	68.5	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-60.3	-44	172.3	-175.7	-173.5	172.3	-168.5	0	111.5	E531 E532 I533 N538 D539	E531-K535 VanDerWaalsContact O-CB 3.26Å; E531-K535 WeakPolarHBondContact O-CB 3.22Å; E531-K535 PolarHBondContact O-N 3.16Å; E532-K535 PolarHBondContact O-N 2.66Å; I533-K535 VanDerWaalsContact C-N 3.32Å; I533-K535 PolarHBondContact O-N 2.82Å; K535-N538 WeakPolarHBondContact O-CB 3.39Å; K535-N538 PolarHBondContact O-N 3.02Å; K535-D539 PolarHBondContact O-N 2.79Å
536	M	84.7	Confident	76.1	Confident	14 Å²	14	67 Å²	67	7%	0.069	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-35.2	178.7	-71.3	174	-176.1	0	0	112.6	A137 E140 I186 L528 E532 I533 E534 D539 A540	A137-M536 HydrophobicContact CB-CE 4.1Å; E140-M536 VanDerWaalsContact CD-SD 3.58Å; E140-M536 HydrophobicContact CG-CB 4.19Å; E140-M536 HydrophobicContact CG-CE 3.92Å; E140-M536 HydrophobicContact CG-CG 3.65Å; E140-M536 HydrophobicContact CG-SD 3.36Å; E140-M536 WeakPolarHBondContact CG-SD 3.33Å; E140-M536 VanDerWaalsContact OE2-CE 3.22Å; E140-M536 WeakPolarHBondContact OE2-CE 3.47Å; I186-M536 HydrophobicContact CD1-CB 4.02Å; I186-M536 HydrophobicContact CD1-SD 3.87Å; I186-M536 HydrophobicContact CG1-CB 4.01Å; I186-M536 HydrophobicContact CG2-CB 4.19Å; L528-M536 HydrophobicContact CD1-CE 4.09Å; L528-M536 HydrophobicContact CD1-SD 3.33Å; L528-M536 WeakPolarHBondContact CD1-SD 3.08Å; L528-M536 HydrophobicContact CD2-CE 3.3Å; L528-M536 HydrophobicContact CD2-SD 3.77Å; L528-M536 HydrophobicContact CG-CE 4.27Å; L528-M536 HydrophobicContact CG-SD 4.1Å; E532-M536 WeakPolarHBondContact O-CB 3.28Å; E532-M536 WeakPolarHBondContact O-CG 3.39Å; E532-M536 PolarHBondContact O-N 2.85Å; I533-M536 CarbonylContact O-C 3.57Å; I533-M536 PolarHBondContact O-N 2.91Å; I533-M536 VanDerWaalsContact O-N 3.12Å; E534-M536 VanDerWaalsContact C-N 3.34Å; E534-M536 PolarHBondContact O-N 3.41Å; M536-D539 PolarHBondContact O-N 3.25Å; M536-A540 WeakPolarHBondContact O-CB 3.5Å; M536-A540 PolarHBondContact O-N 3.37Å
537	I	77.7	Confident	77.1	Confident	48 Å²	48	66.2 Å²	66.2	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-48.5	170.7	-69	164.7	0	0	0	109.3	T185 I533 E534 D539 A540 E541	T185-I537 HydrophobicContact CG2-CD1 4.25Å; I533-I537 HydrophobicContact CG2-CD1 3.81Å; I533-I537 HydrophobicContact CG2-CG1 4.3Å; I533-I537 VanDerWaalsContact O-CG1 3.28Å; I533-I537 WeakPolarHBondContact O-CG1 3.42Å; I533-I537 PolarHBondContact O-N 2.97Å; E534-I537 PolarHBondContact O-N 3.31Å; I537-D539 VanDerWaalsContact C-N 3.35Å; I537-D539 PolarHBondContact O-N 3.48Å; I537-A540 PolarHBondContact O-N 3.36Å; I537-E541 HydrophobicContact CG2-CG 4.49Å; I537-E541 WeakPolarHBondContact O-CG 3.33Å; I537-E541 PolarHBondContact O-N 2.91Å
538	N	84.1	Confident	78.1	Confident	74 Å²	74	69.4 Å²	69.4	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.3	-72	-51.6	0	0	0	112.1	E534 K535 E541 Q542	E534-N538 PolarHBondContact O-N 2.8Å; E534-N538 PolarHBondContact O-ND2 2.86Å; K535-N538 WeakPolarHBondContact O-CB 3.39Å; K535-N538 PolarHBondContact O-N 3.02Å; N538-E541 PolarHBondContact O-N 2.9Å; N538-Q542 WeakPolarHBondContact O-CG 3.4Å; N538-Q542 PolarHBondContact O-N 2.86Å
539	D	81.6	Confident	79.3	Confident	45 Å²	45	76 Å²	76	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176.5	-71.3	-16.1	0	0	0	110.5	K535 M536 I537 E541 Q542 F543	K535-D539 PolarHBondContact O-N 2.79Å; M536-D539 PolarHBondContact O-N 3.25Å; I537-D539 VanDerWaalsContact C-N 3.35Å; I537-D539 PolarHBondContact O-N 3.48Å; D539-E541 PolarHBondContact O-N 3.36Å; D539-Q542 WeakPolarHBondContact O-CB 3.38Å; D539-Q542 PolarHBondContact O-N 2.78Å; D539-F543 WeakPolarHBondContact O-CD2 3.42Å; D539-F543 PolarHBondContact O-N 3.33Å
540	A	77.9	Confident	79.8	Confident	26 Å²	26	74.3 Å²	74.3	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-40.3	175.1	0	0	0	0	0	112.3	I186 M536 I537 F543 A544	I186-A540 HydrophobicContact CG2-CB 4.06Å; M536-A540 WeakPolarHBondContact O-CB 3.5Å; M536-A540 PolarHBondContact O-N 3.37Å; I537-A540 PolarHBondContact O-N 3.36Å; A540-F543 PolarHBondContact O-N 3.15Å; A540-A544 WeakPolarHBondContact O-CB 3.33Å; A540-A544 PolarHBondContact O-N 3.33Å
541	E	79.7	Confident	80.2	Confident	123 Å²	123	75.9 Å²	75.9	58%	0.575	38%	0.384	S	S	*	.	H	α-helix	trans	-65.5	-39.7	173.7	-74.2	-175.9	171.7	0	0	112.1	I537 N538 D539 A544 A545	I537-E541 HydrophobicContact CG2-CG 4.49Å; I537-E541 WeakPolarHBondContact O-CG 3.33Å; I537-E541 PolarHBondContact O-N 2.91Å; N538-E541 PolarHBondContact O-N 2.9Å; D539-E541 PolarHBondContact O-N 3.36Å; E541-A544 PolarHBondContact O-N 2.93Å; E541-A545 WeakPolarHBondContact O-CB 3.45Å; E541-A545 PolarHBondContact O-N 3.48Å
542	Q	82.7	Confident	80.6	Confident	123 Å²	123	72.4 Å²	72.4	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-62.9	-44.6	173.6	-75	179.5	17.1	0	0	111.8	N538 D539 A545 S546	N538-Q542 WeakPolarHBondContact O-CG 3.4Å; N538-Q542 PolarHBondContact O-N 2.86Å; D539-Q542 WeakPolarHBondContact O-CB 3.38Å; D539-Q542 PolarHBondContact O-N 2.78Å; Q542-A545 PolarHBondContact O-N 2.81Å; Q542-S546 PolarHBondContact O-N 2.83Å; Q542-S546 PolarHBondContact O-OG 3.07Å; Q542-S546 VanDerWaalsContact O-OG 3.1Å
543	F	78.8	Confident	81.1	Confident	24 Å²	24	72 Å²	72	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-42.4	174.5	-76.3	-67	0	0	0	111.5	F65 V129 F136 D539 A540 A545 S546 D547	F65-F543 HydrophobicContact CE1-CE1 4.5Å; V129-F543 HydrophobicContact CG1-CE1 4.36Å; F136-F543 AromaticContact CE1-CE2 3.96Å; F136-F543 HydrophobicContact CE1-CE2 3.96Å; F136-F543 HydrophobicContact CE1-CZ 4.18Å; F136-F543 HydrophobicContact CZ-CE2 4.24Å; F136-F543 AromaticContact CZ-CZ 3.98Å; F136-F543 HydrophobicContact CZ-CZ 3.98Å; D539-F543 WeakPolarHBondContact O-CD2 3.42Å; D539-F543 PolarHBondContact O-N 3.33Å; A540-F543 PolarHBondContact O-N 3.15Å; F543-A545 VanDerWaalsContact C-N 3.29Å; F543-A545 PolarHBondContact O-N 2.68Å; F543-S546 WeakPolarHBondContact O-CB 3.48Å; F543-S546 PolarHBondContact O-N 2.85Å; F543-S546 VanDerWaalsContact O-N 3.15Å; F543-D547 WeakPolarHBondContact O-CB 3.3Å; F543-D547 PolarHBondContact O-N 3.06Å
544	A	77.6	Confident	81.6	Confident	51 Å²	51	73.9 Å²	73.9	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-39	176.3	0	0	0	0	0	112.2	A540 E541 K548	A540-A544 WeakPolarHBondContact O-CB 3.33Å; A540-A544 PolarHBondContact O-N 3.33Å; E541-A544 PolarHBondContact O-N 2.93Å; A544-K548 WeakPolarHBondContact O-CB 3.04Å; A544-K548 PolarHBondContact O-N 3.14Å
545	A	81.8	Confident	81.9	Confident	52 Å²	52	72.1 Å²	72.1	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-40.6	174.5	0	0	0	0	0	112.1	E541 Q542 F543 K548 K549	E541-A545 WeakPolarHBondContact O-CB 3.45Å; E541-A545 PolarHBondContact O-N 3.48Å; Q542-A545 PolarHBondContact O-N 2.81Å; F543-A545 VanDerWaalsContact C-N 3.29Å; F543-A545 PolarHBondContact O-N 2.68Å; A545-K548 PolarHBondContact O-N 2.89Å; A545-K549 WeakPolarHBondContact O-CG 3.3Å; A545-K549 PolarHBondContact O-N 3.23Å
546	S	79.7	Confident	82.2	Confident	69 Å²	69	66 Å²	66	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-44.5	174.9	-64.2	0	0	0	0	112	Q542 F543 K548 K549 L550	Q542-S546 PolarHBondContact O-N 2.83Å; Q542-S546 PolarHBondContact O-OG 3.07Å; Q542-S546 VanDerWaalsContact O-OG 3.1Å; F543-S546 WeakPolarHBondContact O-CB 3.48Å; F543-S546 PolarHBondContact O-N 2.85Å; F543-S546 VanDerWaalsContact O-N 3.15Å; S546-K548 VanDerWaalsContact C-N 3.32Å; S546-K548 PolarHBondContact O-N 3.2Å; S546-K549 PolarHBondContact O-N 3.34Å; S546-L550 WeakPolarHBondContact O-CB 3.36Å; S546-L550 PolarHBondContact O-N 3.47Å
547	D	78.6	Confident	82.5	Confident	41 Å²	41	67.5 Å²	67.5	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-40.2	176.8	-66.8	-9.8	0	0	0	110.9	R71 F543 L550 K551	R71-D547 IonicContact CZ-OD2 3.97Å; R71-D547 VanDerWaalsContact CZ-OD2 3.3Å; R71-D547 IonicContact NE-OD2 3.93Å; R71-D547 PolarHBondContact NE-OD2 2.81Å; R71-D547 VanDerWaalsContact NE-OD2 3.16Å; R71-D547 IonicContact NH2-OD2 3.55Å; R71-D547 PolarHBondContact NH2-OD2 2.8Å; F543-D547 WeakPolarHBondContact O-CB 3.3Å; F543-D547 PolarHBondContact O-N 3.06Å; D547-L550 WeakPolarHBondContact O-CB 3.47Å; D547-L550 PolarHBondContact O-N 2.93Å; D547-K551 WeakPolarHBondContact O-CB 3.34Å; D547-K551 PolarHBondContact O-N 3.33Å
548	K	82.2	Confident	83	Confident	131 Å²	131	69.1 Å²	69.1	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-62.7	-45	174.3	-177.9	176.9	174.9	179.4	0	111.9	A544 A545 S546 L550 K551 E552	A544-K548 WeakPolarHBondContact O-CB 3.04Å; A544-K548 PolarHBondContact O-N 3.14Å; A545-K548 PolarHBondContact O-N 2.89Å; S546-K548 VanDerWaalsContact C-N 3.32Å; S546-K548 PolarHBondContact O-N 3.2Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 2.97Å; K548-K551 WeakPolarHBondContact O-CB 3.4Å; K548-K551 PolarHBondContact O-N 2.9Å; K548-E552 WeakPolarHBondContact CE-OE1 3.44Å; K548-E552 WeakPolarHBondContact O-CG 3.39Å; K548-E552 PolarHBondContact O-N 2.9Å
549	K	85.1	Confident	83.3	Confident	144 Å²	144	70.8 Å²	70.8	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-62	-41.1	175.4	-74.7	178.1	179.4	-178.9	0	111.7	A545 S546 E552 R553	A545-K549 WeakPolarHBondContact O-CG 3.3Å; A545-K549 PolarHBondContact O-N 3.23Å; S546-K549 PolarHBondContact O-N 3.34Å; K549-E552 PolarHBondContact O-N 3.45Å; K549-R553 WeakPolarHBondContact O-CB 3.38Å; K549-R553 PolarHBondContact O-N 3.1Å
550	L	80.7	Confident	83.9	Confident	36 Å²	36	68.8 Å²	68.8	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175.4	176.6	59.5	0	0	0	111	E70 S546 D547 K548 R553 V554	E70-L550 HydrophobicContact CB-CD2 4.08Å; E70-L550 HydrophobicContact CG-CD2 3.92Å; E70-L550 VanDerWaalsContact OE1-CD1 3.3Å; E70-L550 WeakPolarHBondContact OE1-CD1 3.35Å; S546-L550 WeakPolarHBondContact O-CB 3.36Å; S546-L550 PolarHBondContact O-N 3.47Å; D547-L550 WeakPolarHBondContact O-CB 3.47Å; D547-L550 PolarHBondContact O-N 2.93Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 2.97Å; L550-R553 WeakPolarHBondContact O-CB 3.5Å; L550-R553 PolarHBondContact O-N 3.28Å; L550-V554 HydrophobicContact CD1-CG2 4.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.34Å; L550-V554 PolarHBondContact O-N 3.22Å
551	K	79.8	Confident	84.5	Confident	113 Å²	113	70.1 Å²	70.1	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-50.2	175	-175.2	174.7	-176	171.5	0	111.7	E151 D547 K548 R553 V554 D555	E151-K551 IonicContact OE1-NZ 3.59Å; D547-K551 WeakPolarHBondContact O-CB 3.34Å; D547-K551 PolarHBondContact O-N 3.33Å; K548-K551 WeakPolarHBondContact O-CB 3.4Å; K548-K551 PolarHBondContact O-N 2.9Å; K551-R553 PolarHBondContact O-N 3.48Å; K551-V554 PolarHBondContact O-N 3.05Å; K551-V554 VanDerWaalsContact O-N 3.13Å; K551-D555 WeakPolarHBondContact O-CB 3.42Å; K551-D555 VanDerWaalsContact O-CG 3.28Å; K551-D555 PolarHBondContact O-N 2.84Å
552	E	88	Confident	85	Confident	81 Å²	81	67.5 Å²	67.5	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-35.5	176.5	-73.2	174.8	-172.9	0	0	112.5	K548 K549 A556 V608	K548-E552 WeakPolarHBondContact CE-OE1 3.44Å; K548-E552 WeakPolarHBondContact O-CG 3.39Å; K548-E552 PolarHBondContact O-N 2.9Å; K549-E552 PolarHBondContact O-N 3.45Å; E552-A556 VanDerWaalsContact O-CB 3.24Å; E552-A556 WeakPolarHBondContact O-CB 3.47Å; E552-A556 PolarHBondContact O-N 2.93Å; E552-V608 HydrophobicContact CB-CG1 4.49Å; E552-V608 HydrophobicContact CB-CG2 4.15Å
553	R	86.8	Confident	85.3	Confident	38 Å²	38	63.3 Å²	63.3	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-47.3	175.3	-174.6	-174.9	70	165.7	3	111.7	E70 K549 L550 K551 D555 A556 R557 A606 V608 L611	E70-R553 IonicContact OE1-NH2 3.87Å; E70-R553 PolarHBondContact OE1-NH2 3.44Å; K549-R553 WeakPolarHBondContact O-CB 3.38Å; K549-R553 PolarHBondContact O-N 3.1Å; L550-R553 WeakPolarHBondContact O-CB 3.5Å; L550-R553 PolarHBondContact O-N 3.28Å; K551-R553 PolarHBondContact O-N 3.48Å; R553-D555 VanDerWaalsContact C-N 3.34Å; R553-A556 PolarHBondContact O-N 3.41Å; R553-R557 VanDerWaalsContact O-CB 3.3Å; R553-R557 WeakPolarHBondContact O-CB 3.24Å; R553-R557 PolarHBondContact O-N 3.32Å; R553-A606 VanDerWaalsContact CD-O 3.28Å; R553-A606 WeakPolarHBondContact CD-O 3.45Å; R553-A606 WeakPolarHBondContact CG-O 3.31Å; R553-V608 HydrophobicContact CB-CG2 3.78Å; R553-V608 HydrophobicContact CG-CG2 4.49Å; R553-L611 HydrophobicContact CG-CD1 3.88Å; R553-L611 WeakPolarHBondContact O-CD1 3Å
554	V	83	Confident	85.9	Confident	62 Å²	62	62.1 Å²	62.1	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-62	-44.2	177.3	171.1	0	0	0	0	110.3	L550 K551 R557 N558	L550-V554 HydrophobicContact CD1-CG2 4.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.34Å; L550-V554 PolarHBondContact O-N 3.22Å; K551-V554 PolarHBondContact O-N 3.05Å; K551-V554 VanDerWaalsContact O-N 3.13Å; V554-R557 PolarHBondContact O-N 2.89Å; V554-N558 WeakPolarHBondContact CG1-ND2 3.28Å; V554-N558 VanDerWaalsContact O-CB 3.31Å; V554-N558 WeakPolarHBondContact O-CB 3.09Å; V554-N558 PolarHBondContact O-N 2.82Å; V554-N558 PolarHBondContact O-ND2 3.34Å
555	D	86.6	Confident	86.5	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-48.2	178.2	-69.2	-19.5	0	0	0	111.4	K551 R553 R557 N558 E559	K551-D555 WeakPolarHBondContact O-CB 3.42Å; K551-D555 VanDerWaalsContact O-CG 3.28Å; K551-D555 PolarHBondContact O-N 2.84Å; R553-D555 VanDerWaalsContact C-N 3.34Å; D555-R557 VanDerWaalsContact C-N 3.3Å; D555-R557 PolarHBondContact O-N 3.13Å; D555-N558 PolarHBondContact O-N 2.83Å; D555-E559 WeakPolarHBondContact O-CB 3.27Å; D555-E559 PolarHBondContact O-N 3.38Å
556	A	89	Confident	86.9	Confident	5 Å²	5	65.3 Å²	65.3	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-38.4	177.2	0	0	0	0	0	112.2	E552 R553 F560 V608 L611 K612	E552-A556 VanDerWaalsContact O-CB 3.24Å; E552-A556 WeakPolarHBondContact O-CB 3.47Å; E552-A556 PolarHBondContact O-N 2.93Å; R553-A556 PolarHBondContact O-N 3.41Å; A556-F560 WeakPolarHBondContact O-CB 3.3Å; A556-F560 PolarHBondContact O-N 2.95Å; A556-F560 VanDerWaalsContact O-N 3.08Å; A556-V608 HydrophobicContact CB-CG1 4.39Å; A556-L611 HydrophobicContact CB-CB 4.15Å; A556-L611 HydrophobicContact CB-CD1 4.33Å; A556-K612 HydrophobicContact CB-CG 4.44Å
557	R	91.5	Very high	87.3	Confident	46 Å²	46	62.4 Å²	62.4	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-51.2	175.1	-173.3	-174	172.1	86.8	3.4	110.7	R553 V554 D555 E559 F560 E561 L600 N603 L611	R553-R557 VanDerWaalsContact O-CB 3.3Å; R553-R557 WeakPolarHBondContact O-CB 3.24Å; R553-R557 PolarHBondContact O-N 3.32Å; V554-R557 PolarHBondContact O-N 2.89Å; D555-R557 VanDerWaalsContact C-N 3.3Å; D555-R557 PolarHBondContact O-N 3.13Å; R557-E559 VanDerWaalsContact C-N 3.3Å; R557-E559 PolarHBondContact O-N 3.25Å; R557-F560 PolarHBondContact O-N 3.12Å; R557-E561 IonicContact NE-OE2 3.07Å; R557-E561 VanDerWaalsContact O-CB 3.27Å; R557-E561 WeakPolarHBondContact O-CB 3.45Å; R557-E561 PolarHBondContact O-N 2.82Å; R557-L600 HydrophobicContact CG-CD2 3.78Å; R557-L600 VanDerWaalsContact CZ-O 3.26Å; R557-L600 PolarHBondContact NH1-O 2.84Å; R557-L600 VanDerWaalsContact NH2-C 3.35Å; R557-L600 PolarHBondContact NH2-O 2.8Å; R557-N603 PolarHBondContact NH1-O 3.26Å; R557-L611 HydrophobicContact CB-CD1 3.91Å; R557-L611 HydrophobicContact CB-CD2 4.32Å; R557-L611 HydrophobicContact CG-CD2 4.41Å
558	N	89.1	Confident	87.8	Confident	82 Å²	82	65.4 Å²	65.4	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-38.8	-179.9	-71.8	-17.6	0	0	0	111.5	V554 D555 S562	V554-N558 WeakPolarHBondContact CG1-ND2 3.28Å; V554-N558 VanDerWaalsContact O-CB 3.31Å; V554-N558 WeakPolarHBondContact O-CB 3.09Å; V554-N558 PolarHBondContact O-N 2.82Å; V554-N558 PolarHBondContact O-ND2 3.34Å; D555-N558 PolarHBondContact O-N 2.83Å; N558-S562 WeakPolarHBondContact O-CB 3.21Å; N558-S562 PolarHBondContact O-N 2.92Å
559	E	89.4	Confident	88	Confident	108 Å²	108	63 Å²	63	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-43.8	176.3	-162.2	-160.5	147.7	0	0	111.3	D555 R557 S563 K615	D555-E559 WeakPolarHBondContact O-CB 3.27Å; D555-E559 PolarHBondContact O-N 3.38Å; R557-E559 VanDerWaalsContact C-N 3.3Å; R557-E559 PolarHBondContact O-N 3.25Å; E559-S563 VanDerWaalsContact O-CB 3.28Å; E559-S563 WeakPolarHBondContact O-CB 3.04Å; E559-S563 PolarHBondContact O-N 3.08Å; E559-S563 PolarHBondContact O-OG 2.91Å; E559-K615 HydrophobicContact CG-CD 4.3Å; E559-K615 WeakPolarHBondContact OE1-CE 3.36Å; E559-K615 IonicContact OE1-NZ 3.78Å; E559-K615 PolarHBondContact OE1-NZ 3.48Å
560	F	93.4	Very high	88	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-65.9	-47.3	177.1	-174.5	-162.5	0	0	0	111.3	A556 R557 S563 A564 A596 Y599 L600 K614 K615 F618	A556-F560 WeakPolarHBondContact O-CB 3.3Å; A556-F560 PolarHBondContact O-N 2.95Å; A556-F560 VanDerWaalsContact O-N 3.08Å; R557-F560 PolarHBondContact O-N 3.12Å; F560-S563 PolarHBondContact O-N 2.84Å; F560-A564 PolarHBondContact O-N 3.41Å; F560-A596 HydrophobicContact CE1-CB 4.49Å; F560-A596 HydrophobicContact CE2-CB 3.48Å; F560-A596 VanDerWaalsContact CE2-CB 3.48Å; F560-A596 HydrophobicContact CZ-CB 3.44Å; F560-A596 VanDerWaalsContact CZ-CB 3.44Å; F560-Y599 AromaticContact CE1-CD1 3.96Å; F560-Y599 HydrophobicContact CE1-CD1 3.96Å; F560-Y599 HydrophobicContact CE1-CE1 4.39Å; F560-L600 HydrophobicContact CD1-CD1 4.01Å; F560-L600 HydrophobicContact CD1-CD2 3.66Å; F560-L600 HydrophobicContact CD1-CG 3.89Å; F560-L600 HydrophobicContact CE1-CD1 4.34Å; F560-L600 HydrophobicContact CE1-CD2 4.23Å; F560-L600 HydrophobicContact CE1-CG 4.06Å; F560-L600 HydrophobicContact CG-CD1 4.18Å; F560-L600 HydrophobicContact CG-CD2 4.36Å; F560-K614 HydrophobicContact CD1-CB 4.44Å; F560-K614 HydrophobicContact CE1-CB 3.67Å; F560-K614 HydrophobicContact CZ-CB 4.11Å; F560-K615 HydrophobicContact CB-CB 4.06Å; F560-K615 HydrophobicContact CB-CD 4.2Å; F560-K615 HydrophobicContact CB-CG 4.22Å; F560-K615 HydrophobicContact CD1-CB 4.41Å; F560-K615 HydrophobicContact CD2-CB 3.86Å; F560-K615 HydrophobicContact CD2-CG 3.96Å; F560-K615 HydrophobicContact CE2-CB 4.43Å; F560-K615 HydrophobicContact CG-CB 3.87Å; F560-K615 HydrophobicContact CG-CG 4.26Å; F560-F618 HydrophobicContact CE2-CB 3.75Å; F560-F618 HydrophobicContact CE2-CD1 4.19Å; F560-F618 HydrophobicContact CE2-CD2 4.43Å; F560-F618 AromaticContact CE2-CG 3.88Å; F560-F618 HydrophobicContact CE2-CG 3.88Å; F560-F618 HydrophobicContact CZ-CB 4.32Å
561	E	91	Very high	88.1	Confident	53 Å²	53	57.2 Å²	57.2	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-49.1	178.9	-170.1	166.4	178.3	0	0	111.3	R557 S563 A564 Y565 L600	R557-E561 IonicContact NE-OE2 3.07Å; R557-E561 VanDerWaalsContact O-CB 3.27Å; R557-E561 WeakPolarHBondContact O-CB 3.45Å; R557-E561 PolarHBondContact O-N 2.82Å; E561-S563 VanDerWaalsContact C-N 3.34Å; E561-S563 PolarHBondContact O-N 3.28Å; E561-A564 PolarHBondContact O-N 2.8Å; E561-Y565 HydrophobicContact CG-CD2 3.63Å; E561-Y565 HydrophobicContact CG-CE2 3.53Å; E561-Y565 WeakPolarHBondContact O-CD2 3.38Å; E561-Y565 PolarHBondContact O-N 2.98Å; E561-L600 HydrophobicContact CB-CD1 3.81Å; E561-L600 HydrophobicContact CG-CD1 4.21Å
562	S	90.1	Very high	88.2	Confident	69 Å²	69	55.7 Å²	55.7	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-41.2	176.9	-177.8	0	0	0	0	112.1	N558 Y565 T566	N558-S562 WeakPolarHBondContact O-CB 3.21Å; N558-S562 PolarHBondContact O-N 2.92Å; S562-Y565 PolarHBondContact O-N 2.76Å; S562-T566 WeakPolarHBondContact O-CB 3.17Å; S562-T566 PolarHBondContact O-N 3.2Å; S562-T566 PolarHBondContact O-OG1 3.39Å
563	S	88.7	Confident	87.6	Confident	34 Å²	34	55.3 Å²	55.3	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.8	-61.6	0	0	0	0	111.5	E559 F560 E561 L567 K615	E559-S563 VanDerWaalsContact O-CB 3.28Å; E559-S563 WeakPolarHBondContact O-CB 3.04Å; E559-S563 PolarHBondContact O-N 3.08Å; E559-S563 PolarHBondContact O-OG 2.91Å; F560-S563 PolarHBondContact O-N 2.84Å; E561-S563 VanDerWaalsContact C-N 3.34Å; E561-S563 PolarHBondContact O-N 3.28Å; S563-L567 WeakPolarHBondContact O-CB 3.4Å; S563-L567 PolarHBondContact O-N 3.47Å; S563-K615 WeakPolarHBondContact OG-CE 3.28Å
564	A	91.1	Very high	86.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-46.3	178.3	0	0	0	0	0	112	F560 E561 K568 A596 I597 F618	F560-A564 PolarHBondContact O-N 3.41Å; E561-A564 PolarHBondContact O-N 2.8Å; A564-K568 VanDerWaalsContact O-CB 3.31Å; A564-K568 WeakPolarHBondContact O-CB 3.05Å; A564-K568 PolarHBondContact O-N 3.32Å; A564-A596 HydrophobicContact CB-CB 4.12Å; A564-I597 HydrophobicContact CB-CG1 4.21Å; A564-F618 HydrophobicContact CB-CZ 4.37Å
565	Y	91.3	Very high	85.9	Confident	101 Å²	101	61.3 Å²	61.3	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-37.4	178.9	-79.6	-70.3	0	0	0	113.4	E561 S562 K568 S569 I597	E561-Y565 HydrophobicContact CG-CD2 3.63Å; E561-Y565 HydrophobicContact CG-CE2 3.53Å; E561-Y565 WeakPolarHBondContact O-CD2 3.38Å; E561-Y565 PolarHBondContact O-N 2.98Å; S562-Y565 PolarHBondContact O-N 2.76Å; Y565-K568 HydrophobicContact CD1-CD 4.42Å; Y565-K568 WeakPolarHBondContact O-CB 3.38Å; Y565-K568 PolarHBondContact O-N 2.81Å; Y565-S569 PolarHBondContact O-N 3.23Å; Y565-I597 HydrophobicContact CD1-CD1 4.3Å; Y565-I597 HydrophobicContact CE1-CD1 3.92Å
566	T	89.2	Confident	85.1	Confident	68 Å²	68	61.5 Å²	61.5	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-48.6	175.3	-63.7	0	0	0	0	110.3	S562 K568 S569 Q570	S562-T566 WeakPolarHBondContact O-CB 3.17Å; S562-T566 PolarHBondContact O-N 3.2Å; S562-T566 PolarHBondContact O-OG1 3.39Å; T566-K568 VanDerWaalsContact C-N 3.34Å; T566-K568 PolarHBondContact O-N 2.71Å; T566-S569 WeakPolarHBondContact O-CB 3.46Å; T566-S569 PolarHBondContact O-N 3.07Å; T566-S569 VanDerWaalsContact O-N 3.12Å; T566-Q570 HydrophobicContact CG2-CG 4.48Å; T566-Q570 WeakPolarHBondContact O-CG 3.42Å; T566-Q570 PolarHBondContact O-N 3.12Å
567	L	88.4	Confident	84.2	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-38.4	178.8	-170.7	66.4	0	0	0	112.1	S563 S569 Q570 I571 I589 I593 F618 V622 I626	S563-L567 WeakPolarHBondContact O-CB 3.4Å; S563-L567 PolarHBondContact O-N 3.47Å; L567-S569 PolarHBondContact O-N 3.36Å; L567-Q570 PolarHBondContact O-N 3.45Å; L567-I571 HydrophobicContact CD1-CD1 4.09Å; L567-I571 HydrophobicContact CG-CD1 3.91Å; L567-I571 WeakPolarHBondContact O-CG1 3.47Å; L567-I571 PolarHBondContact O-N 2.96Å; L567-I571 VanDerWaalsContact O-N 3.07Å; L567-I589 HydrophobicContact CD1-CG2 4.37Å; L567-I589 HydrophobicContact CD2-CG2 3.3Å; L567-I589 HydrophobicContact CG-CG2 3.79Å; L567-I593 HydrophobicContact CB-CD1 4.19Å; L567-I593 HydrophobicContact CD2-CD1 4.02Å; L567-I593 HydrophobicContact CD2-CG1 4.02Å; L567-I593 HydrophobicContact CG-CD1 3.95Å; L567-I593 HydrophobicContact CG-CG1 4.42Å; L567-F618 HydrophobicContact CB-CZ 4.47Å; L567-F618 HydrophobicContact CD2-CE1 4.24Å; L567-F618 HydrophobicContact CD2-CE2 4.18Å; L567-F618 HydrophobicContact CD2-CZ 3.48Å; L567-F618 VanDerWaalsContact CD2-CZ 3.48Å; L567-V622 HydrophobicContact CD1-CG1 4.06Å; L567-V622 HydrophobicContact CD2-CB 4.18Å; L567-V622 HydrophobicContact CD2-CG1 3.43Å; L567-V622 VanDerWaalsContact CD2-CG1 3.43Å; L567-V622 HydrophobicContact CD2-CG2 3.7Å; L567-V622 HydrophobicContact CG-CG1 4.39Å; L567-I626 HydrophobicContact CD1-CD1 3.88Å
568	K	89.2	Confident	83.2	Confident	103 Å²	103	60.3 Å²	60.3	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-55.5	-42.4	171.8	-167.1	174.1	-177	171.6	0	111.5	A564 Y565 T566 A572 I593 I597	A564-K568 VanDerWaalsContact O-CB 3.31Å; A564-K568 WeakPolarHBondContact O-CB 3.05Å; A564-K568 PolarHBondContact O-N 3.32Å; Y565-K568 HydrophobicContact CD1-CD 4.42Å; Y565-K568 WeakPolarHBondContact O-CB 3.38Å; Y565-K568 PolarHBondContact O-N 2.81Å; T566-K568 VanDerWaalsContact C-N 3.34Å; T566-K568 PolarHBondContact O-N 2.71Å; K568-A572 WeakPolarHBondContact O-CB 3.44Å; K568-A572 PolarHBondContact O-N 3Å; K568-I593 HydrophobicContact CB-CD1 4.19Å; K568-I593 HydrophobicContact CB-CG2 3.91Å; K568-I593 HydrophobicContact CD-CG2 4.01Å; K568-I593 HydrophobicContact CG-CG2 4.11Å; K568-I597 HydrophobicContact CD-CD1 4Å
569	S	86.9	Confident	82.5	Confident	80 Å²	80	63.3 Å²	63.3	56%	0.559	35%	0.352	S	S	*	.	H	α-helix	trans	-67.7	-45	175.6	-167.8	0	0	0	0	112.4	Y565 T566 L567 I571 A572 D573	Y565-S569 PolarHBondContact O-N 3.23Å; T566-S569 WeakPolarHBondContact O-CB 3.46Å; T566-S569 PolarHBondContact O-N 3.07Å; T566-S569 VanDerWaalsContact O-N 3.12Å; L567-S569 PolarHBondContact O-N 3.36Å; S569-I571 VanDerWaalsContact C-N 3.29Å; S569-I571 PolarHBondContact O-N 3.1Å; S569-A572 PolarHBondContact O-N 3.32Å; S569-D573 PolarHBondContact O-N 3.32Å; S569-D573 VanDerWaalsContact O-N 3.1Å
570	Q	84.7	Confident	82	Confident	56 Å²	56	65 Å²	65	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-29.5	-177.7	-70.5	179.5	-17.5	0	0	113.9	T566 L567 L577	T566-Q570 HydrophobicContact CG2-CG 4.48Å; T566-Q570 WeakPolarHBondContact O-CG 3.42Å; T566-Q570 PolarHBondContact O-N 3.12Å; L567-Q570 PolarHBondContact O-N 3.45Å; Q570-L577 HydrophobicContact CB-CD1 4.15Å
571	I	84.2	Confident	81.3	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-87.6	-27.8	-179.8	-68.8	172.4	0	0	0	112.3	L567 S569 L581 K586 I589 E590 I593	L567-I571 HydrophobicContact CD1-CD1 4.09Å; L567-I571 HydrophobicContact CG-CD1 3.91Å; L567-I571 WeakPolarHBondContact O-CG1 3.47Å; L567-I571 PolarHBondContact O-N 2.96Å; L567-I571 VanDerWaalsContact O-N 3.07Å; S569-I571 VanDerWaalsContact C-N 3.29Å; S569-I571 PolarHBondContact O-N 3.1Å; I571-L581 HydrophobicContact CG1-CD1 4.3Å; I571-K586 HydrophobicContact CG2-CD 4.16Å; I571-K586 HydrophobicContact CG2-CG 3.91Å; I571-K586 PolarHBondContact O-NZ 2.92Å; I571-I589 HydrophobicContact CD1-CB 3.61Å; I571-I589 HydrophobicContact CD1-CD1 3.91Å; I571-I589 HydrophobicContact CD1-CG1 4.36Å; I571-I589 HydrophobicContact CD1-CG2 3.08Å; I571-E590 HydrophobicContact CG2-CG 4.25Å; I571-I593 HydrophobicContact CD1-CD1 4.2Å
572	A	81.3	Confident	81	Confident	80 Å²	80	65.6 Å²	65.6	66%	0.661	37%	0.366	S	S	*	.	H	α-helix	trans	-72.4	-31.1	172.6	0	0	0	0	0	112	K568 S569	K568-A572 WeakPolarHBondContact O-CB 3.44Å; K568-A572 PolarHBondContact O-N 3Å; S569-A572 PolarHBondContact O-N 3.32Å
573	D	75.7	Confident	80.6	Confident	73 Å²	73	65.7 Å²	65.7	39%	0.39	37%	0.372	S	S	.	.			trans	-77.3	120.7	178.1	-169.4	-5.2	0	0	0	112.2	S569 G575 Q576	S569-D573 PolarHBondContact O-N 3.32Å; S569-D573 VanDerWaalsContact O-N 3.1Å; D573-G575 PolarHBondContact O-N 3.33Å; D573-G575 PolarHBondContact OD1-N 3.3Å; D573-Q576 HydrophobicContact CB-CB 4.43Å; D573-Q576 HydrophobicContact CB-CG 4.28Å; D573-Q576 PolarHBondContact O-N 3.05Å
574	K	65.2	Low	80.5	Confident	158 Å²	158	69.3 Å²	69.3	69%	0.687	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.6	177.4	-65.6	-175.2	-179.6	-178.9	0	112.6	Q576 E579	K574-Q576 VanDerWaalsContact C-N 3.3Å; K574-Q576 PolarHBondContact O-N 2.97Å; K574-E579 HydrophobicContact CB-CG 4.48Å; K574-E579 WeakPolarHBondContact O-CG 3.34Å
575	G	67.9	Low	80.4	Confident	68 Å²	68	71.4 Å²	71.4	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.6	179	0	0	0	0	0	115.3	D573	D573-G575 PolarHBondContact O-N 3.33Å; D573-G575 PolarHBondContact OD1-N 3.3Å
576	Q	69.8	Low	80.2	Confident	90 Å²	90	69.6 Å²	69.6	42%	0.421	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-131.5	-170.9	-61	-167.9	5	0	0	112.8	D573 K574 G578	D573-Q576 HydrophobicContact CB-CB 4.43Å; D573-Q576 HydrophobicContact CB-CG 4.28Å; D573-Q576 PolarHBondContact O-N 3.05Å; K574-Q576 VanDerWaalsContact C-N 3.3Å; K574-Q576 PolarHBondContact O-N 2.97Å; Q576-G578 PolarHBondContact O-N 3.16Å
577	L	70	Confident	80.2	Confident	13 Å²	13	73 Å²	73	7%	0.068	40%	0.402	C	S	.	.	H	α-helix	trans	-64.3	-30.2	-177.3	-92.7	123.5	0	0	0	112.2	Q570 E579 K580 L581 I626 L629	Q570-L577 HydrophobicContact CB-CD1 4.15Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.25Å; L577-K580 PolarHBondContact O-N 3.24Å; L577-K580 VanDerWaalsContact O-N 3.15Å; L577-L581 HydrophobicContact CB-CD1 4.1Å; L577-L581 HydrophobicContact CD2-CD1 4.24Å; L577-L581 HydrophobicContact CD2-CG 4.5Å; L577-L581 WeakPolarHBondContact O-CD1 3.47Å; L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.34Å; L577-L581 PolarHBondContact O-N 2.96Å; L577-I626 HydrophobicContact CD2-CG1 3.99Å; L577-I626 HydrophobicContact CD2-CG2 4.45Å; L577-L629 HydrophobicContact CD2-CD2 3.89Å; L577-L629 HydrophobicContact CG-CD2 4.32Å
578	G	71.2	Confident	80.3	Confident	13 Å²	13	78.2 Å²	78.2	13%	0.134	43%	0.425	C	S	.	.	H	α-helix	trans	-57.2	-33.8	-172	0	0	0	0	0	115.8	Q576	Q576-G578 PolarHBondContact O-N 3.16Å
579	E	73.8	Confident	80.3	Confident	146 Å²	146	73.3 Å²	73.3	68%	0.682	40%	0.404	S	S	*	.	H	α-helix	trans	-85.5	-26	178.7	-82.9	-173.5	179.2	0	0	113.9	K574 L577	K574-E579 HydrophobicContact CB-CG 4.48Å; K574-E579 WeakPolarHBondContact O-CG 3.34Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.25Å
580	K	78.4	Confident	80.5	Confident	142 Å²	142	73.2 Å²	73.2	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-85.7	-19.5	-175.4	-63.1	-177.8	-179.9	-179.2	0	112.7	L577 L629	L577-K580 PolarHBondContact O-N 3.24Å; L577-K580 VanDerWaalsContact O-N 3.15Å; K580-L629 HydrophobicContact CB-CD1 3.75Å; K580-L629 HydrophobicContact CB-CD2 3.84Å; K580-L629 HydrophobicContact CB-CG 4.08Å; K580-L629 HydrophobicContact CD-CD2 4.05Å; K580-L629 VanDerWaalsContact O-CD1 3.31Å; K580-L629 WeakPolarHBondContact O-CD1 3.5Å
581	L	80.2	Confident	80.9	Confident	16 Å²	16	76.5 Å²	76.5	8%	0.084	41%	0.408	C	S	.	.	S	Bend	trans	-78.6	142.2	-178.4	-74	163.1	0	0	0	111.5	I571 L577 D585 K586 I589 I625 L629	I571-L581 HydrophobicContact CG1-CD1 4.3Å; L577-L581 HydrophobicContact CB-CD1 4.1Å; L577-L581 HydrophobicContact CD2-CD1 4.24Å; L577-L581 HydrophobicContact CD2-CG 4.5Å; L577-L581 WeakPolarHBondContact O-CD1 3.47Å; L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.34Å; L577-L581 PolarHBondContact O-N 2.96Å; L581-D585 HydrophobicContact CD2-CB 4.09Å; L581-K586 HydrophobicContact CB-CB 4.41Å; L581-I589 HydrophobicContact CD1-CD1 3.89Å; L581-I589 HydrophobicContact CD2-CD1 4.15Å; L581-I625 HydrophobicContact CD2-CG2 3.38Å; L581-L629 HydrophobicContact CD2-CD1 3.84Å; L581-L629 HydrophobicContact CG-CD1 4.07Å
582	S	83.5	Confident	81.3	Confident	54 Å²	54	76.6 Å²	76.6	38%	0.378	41%	0.409	S	S	.	.			trans	-63.3	153.6	167.5	79.5	0	0	0	0	110.2	D584 D585 K586	S582-D584 PolarHBondContact O-N 3.46Å; S582-D585 PolarHBondContact O-N 3.48Å; S582-D585 VanDerWaalsContact OG-CB 3.31Å; S582-D585 WeakPolarHBondContact OG-CB 3.46Å; S582-D585 PolarHBondContact OG-N 2.92Å; S582-D585 VanDerWaalsContact OG-N 3.11Å; S582-D585 PolarHBondContact OG-OD2 3.48Å; S582-K586 PolarHBondContact O-N 3.34Å
583	A	82.9	Confident	81.9	Confident	72 Å²	72	73.1 Å²	73.1	60%	0.595	38%	0.379	S	S	*	.	H	α-helix	trans	-59.2	-33	178.8	0	0	0	0	0	112.6	K587	A583-K587 WeakPolarHBondContact O-CG 3.4Å; A583-K587 PolarHBondContact O-N 3.14Å
584	D	86.5	Confident	82.7	Confident	109 Å²	109	76.2 Å²	76.2	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-72.5	-41.3	177.7	-71.2	-19.1	0	0	0	111.6	S582 K587 K588	S582-D584 PolarHBondContact O-N 3.46Å; D584-K587 PolarHBondContact O-N 2.96Å; D584-K588 WeakPolarHBondContact O-CG 3.3Å; D584-K588 PolarHBondContact O-N 2.89Å; D584-K588 VanDerWaalsContact O-N 3.13Å
585	D	88.1	Confident	84.1	Confident	45 Å²	45	73.7 Å²	73.7	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-67.4	-41.3	176.9	-69.1	-32.4	0	0	0	111.8	L581 S582 K587 K588 I589 I625	L581-D585 HydrophobicContact CD2-CB 4.09Å; S582-D585 PolarHBondContact O-N 3.48Å; S582-D585 VanDerWaalsContact OG-CB 3.31Å; S582-D585 WeakPolarHBondContact OG-CB 3.46Å; S582-D585 PolarHBondContact OG-N 2.92Å; S582-D585 VanDerWaalsContact OG-N 3.11Å; S582-D585 PolarHBondContact OG-OD2 3.48Å; D585-K587 PolarHBondContact O-N 3.38Å; D585-K588 PolarHBondContact O-N 3.5Å; D585-K588 IonicContact OD1-NZ 3.91Å; D585-I589 WeakPolarHBondContact O-CG1 3.31Å; D585-I589 PolarHBondContact O-N 3.23Å; D585-I589 VanDerWaalsContact O-N 3.09Å; D585-I625 HydrophobicContact CB-CD1 4.36Å; D585-I625 HydrophobicContact CB-CG2 3.63Å
586	K	86.9	Confident	85.2	Confident	62 Å²	62	70.7 Å²	70.7	27%	0.27	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-47.8	175.1	-179	167.4	178.5	158.9	0	111.9	I571 L581 S582 K588 I589 E590	I571-K586 HydrophobicContact CG2-CD 4.16Å; I571-K586 HydrophobicContact CG2-CG 3.91Å; I571-K586 PolarHBondContact O-NZ 2.92Å; L581-K586 HydrophobicContact CB-CB 4.41Å; S582-K586 PolarHBondContact O-N 3.34Å; K586-K588 VanDerWaalsContact C-N 3.34Å; K586-K588 PolarHBondContact O-N 3.02Å; K586-I589 PolarHBondContact O-N 2.91Å; K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 HydrophobicContact CG-CG 4.5Å; K586-E590 WeakPolarHBondContact O-CG 3.33Å; K586-E590 PolarHBondContact O-N 2.83Å
587	K	89.2	Confident	86.3	Confident	139 Å²	139	67.2 Å²	67.2	60%	0.604	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-39.4	177.5	-77.7	178.1	-179.3	175.1	0	113	A583 D584 D585 I589 K591	A583-K587 WeakPolarHBondContact O-CG 3.4Å; A583-K587 PolarHBondContact O-N 3.14Å; D584-K587 PolarHBondContact O-N 2.96Å; D585-K587 PolarHBondContact O-N 3.38Å; K587-I589 VanDerWaalsContact C-N 3.32Å; K587-K591 WeakPolarHBondContact O-CB 3.46Å; K587-K591 PolarHBondContact O-N 2.97Å; K587-K591 VanDerWaalsContact O-N 3.11Å
588	K	90.3	Very high	87.4	Confident	119 Å²	119	70.5 Å²	70.5	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.7	-75.2	173.7	-173.5	167.1	0	111.2	D584 D585 K586 A592 I625	D584-K588 WeakPolarHBondContact O-CG 3.3Å; D584-K588 PolarHBondContact O-N 2.89Å; D584-K588 VanDerWaalsContact O-N 3.13Å; D585-K588 PolarHBondContact O-N 3.5Å; D585-K588 IonicContact OD1-NZ 3.91Å; K586-K588 VanDerWaalsContact C-N 3.34Å; K586-K588 PolarHBondContact O-N 3.02Å; K588-A592 PolarHBondContact O-N 3.06Å; K588-A592 VanDerWaalsContact O-N 3.13Å; K588-I625 HydrophobicContact CB-CD1 4.17Å; K588-I625 HydrophobicContact CD-CD1 4.24Å
589	I	90.6	Very high	88.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-45.2	-179.9	-59.7	168.1	0	0	0	111.6	L567 I571 L581 D585 K586 K587 K591 A592 I593 V622 I625	L567-I589 HydrophobicContact CD1-CG2 4.37Å; L567-I589 HydrophobicContact CD2-CG2 3.3Å; L567-I589 HydrophobicContact CG-CG2 3.79Å; I571-I589 HydrophobicContact CD1-CB 3.61Å; I571-I589 HydrophobicContact CD1-CD1 3.91Å; I571-I589 HydrophobicContact CD1-CG1 4.36Å; I571-I589 HydrophobicContact CD1-CG2 3.08Å; L581-I589 HydrophobicContact CD1-CD1 3.89Å; L581-I589 HydrophobicContact CD2-CD1 4.15Å; D585-I589 WeakPolarHBondContact O-CG1 3.31Å; D585-I589 PolarHBondContact O-N 3.23Å; D585-I589 VanDerWaalsContact O-N 3.09Å; K586-I589 PolarHBondContact O-N 2.91Å; K587-I589 VanDerWaalsContact C-N 3.32Å; I589-K591 VanDerWaalsContact C-N 3.28Å; I589-K591 PolarHBondContact O-N 2.98Å; I589-A592 PolarHBondContact O-N 2.8Å; I589-A592 VanDerWaalsContact O-N 3.08Å; I589-I593 HydrophobicContact CG2-CD1 3.82Å; I589-I593 HydrophobicContact CG2-CG1 4.24Å; I589-I593 WeakPolarHBondContact O-CG1 3.16Å; I589-I593 PolarHBondContact O-N 3.28Å; I589-V622 HydrophobicContact CG1-CG2 4.37Å; I589-V622 HydrophobicContact CG2-CG2 4.02Å; I589-I625 HydrophobicContact CD1-CB 4.45Å; I589-I625 HydrophobicContact CD1-CD1 4.46Å; I589-I625 HydrophobicContact CD1-CG2 3.88Å; I589-I625 HydrophobicContact CG1-CD1 3.98Å
590	E	91.2	Very high	89.3	Confident	79 Å²	79	64.4 Å²	64.4	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-55.5	-44.9	177.6	-75.5	173.4	169.6	0	0	111.5	I571 K586 A592 I593 E594	I571-E590 HydrophobicContact CG2-CG 4.25Å; K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 HydrophobicContact CG-CG 4.5Å; K586-E590 WeakPolarHBondContact O-CG 3.33Å; K586-E590 PolarHBondContact O-N 2.83Å; E590-A592 PolarHBondContact O-N 3.37Å; E590-I593 PolarHBondContact O-N 3.35Å; E590-E594 PolarHBondContact O-N 3.2Å
591	K	92.7	Very high	89.9	Confident	125 Å²	125	62.6 Å²	62.6	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-44.2	175.4	-177.1	177.8	171.1	-178.1	0	112.3	K587 I589 I593 E594 E595	K587-K591 WeakPolarHBondContact O-CB 3.46Å; K587-K591 PolarHBondContact O-N 2.97Å; K587-K591 VanDerWaalsContact O-N 3.11Å; I589-K591 VanDerWaalsContact C-N 3.28Å; I589-K591 PolarHBondContact O-N 2.98Å; K591-I593 VanDerWaalsContact C-N 3.31Å; K591-I593 PolarHBondContact O-N 3.07Å; K591-E594 PolarHBondContact O-N 3.28Å; K591-E595 WeakPolarHBondContact CE-OE1 3.38Å; K591-E595 IonicContact NZ-OE1 3.78Å; K591-E595 WeakPolarHBondContact O-CB 3.26Å; K591-E595 WeakPolarHBondContact O-CG 3.45Å; K591-E595 PolarHBondContact O-N 3.37Å
592	A	92.3	Very high	90.4	Very high	6 Å²	6	64.4 Å²	64.4	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-37.3	178.6	0	0	0	0	0	112.3	K588 I589 E590 A596 F618 I621 V622	K588-A592 PolarHBondContact O-N 3.06Å; K588-A592 VanDerWaalsContact O-N 3.13Å; I589-A592 PolarHBondContact O-N 2.8Å; I589-A592 VanDerWaalsContact O-N 3.08Å; E590-A592 PolarHBondContact O-N 3.37Å; A592-A596 VanDerWaalsContact O-CB 3.29Å; A592-A596 WeakPolarHBondContact O-CB 3.29Å; A592-A596 PolarHBondContact O-N 3.39Å; A592-F618 HydrophobicContact CB-CD2 3.97Å; A592-F618 HydrophobicContact CB-CE2 4.19Å; A592-I621 HydrophobicContact CB-CD1 4.39Å; A592-I621 HydrophobicContact CB-CG2 4.1Å; A592-V622 HydrophobicContact CB-CG2 4.39Å
593	I	93.2	Very high	90.6	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-47.1	175.7	-67.7	163.1	0	0	0	111.1	L567 K568 I571 I589 E590 K591 E595 A596 I597 F618	L567-I593 HydrophobicContact CB-CD1 4.19Å; L567-I593 HydrophobicContact CD2-CD1 4.02Å; L567-I593 HydrophobicContact CD2-CG1 4.02Å; L567-I593 HydrophobicContact CG-CD1 3.95Å; L567-I593 HydrophobicContact CG-CG1 4.42Å; K568-I593 HydrophobicContact CB-CD1 4.19Å; K568-I593 HydrophobicContact CB-CG2 3.91Å; K568-I593 HydrophobicContact CD-CG2 4.01Å; K568-I593 HydrophobicContact CG-CG2 4.11Å; I571-I593 HydrophobicContact CD1-CD1 4.2Å; I589-I593 HydrophobicContact CG2-CD1 3.82Å; I589-I593 HydrophobicContact CG2-CG1 4.24Å; I589-I593 WeakPolarHBondContact O-CG1 3.16Å; I589-I593 PolarHBondContact O-N 3.28Å; E590-I593 PolarHBondContact O-N 3.35Å; K591-I593 VanDerWaalsContact C-N 3.31Å; K591-I593 PolarHBondContact O-N 3.07Å; I593-E595 VanDerWaalsContact C-N 3.34Å; I593-E595 PolarHBondContact O-N 3.43Å; I593-A596 PolarHBondContact O-N 3.37Å; I593-I597 HydrophobicContact CG2-CD1 3.75Å; I593-I597 HydrophobicContact CG2-CG1 4.41Å; I593-I597 WeakPolarHBondContact O-CG1 3.39Å; I593-I597 PolarHBondContact O-N 3.23Å; I593-F618 HydrophobicContact CG1-CE2 3.87Å; I593-F618 HydrophobicContact CG1-CZ 4.19Å
594	E	93.4	Very high	90.5	Very high	138 Å²	138	65 Å²	65	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-62.3	-42.6	179.1	-73.6	-179.6	175.6	0	0	111.7	E590 K591 A596 S598	E590-E594 PolarHBondContact O-N 3.2Å; K591-E594 PolarHBondContact O-N 3.28Å; E594-A596 VanDerWaalsContact C-N 3.35Å; E594-S598 WeakPolarHBondContact O-CB 3.15Å; E594-S598 PolarHBondContact O-N 3.35Å
595	E	93.3	Very high	90.3	Very high	105 Å²	105	64.8 Å²	64.8	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-40.7	174.8	-73.4	177.7	178.8	0	0	111.8	K591 I593 Y599	K591-E595 WeakPolarHBondContact CE-OE1 3.38Å; K591-E595 IonicContact NZ-OE1 3.78Å; K591-E595 WeakPolarHBondContact O-CB 3.26Å; K591-E595 WeakPolarHBondContact O-CG 3.45Å; K591-E595 PolarHBondContact O-N 3.37Å; I593-E595 VanDerWaalsContact C-N 3.34Å; I593-E595 PolarHBondContact O-N 3.43Å; E595-Y599 WeakPolarHBondContact O-CB 3.17Å; E595-Y599 PolarHBondContact O-N 2.97Å
596	A	92.7	Very high	90.3	Very high	5 Å²	5	62.9 Å²	62.9	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-51.2	176.7	0	0	0	0	0	112.7	F560 A564 A592 I593 E594 Y599 L600 F618	F560-A596 HydrophobicContact CE1-CB 4.49Å; F560-A596 HydrophobicContact CE2-CB 3.48Å; F560-A596 VanDerWaalsContact CE2-CB 3.48Å; F560-A596 HydrophobicContact CZ-CB 3.44Å; F560-A596 VanDerWaalsContact CZ-CB 3.44Å; A564-A596 HydrophobicContact CB-CB 4.12Å; A592-A596 VanDerWaalsContact O-CB 3.29Å; A592-A596 WeakPolarHBondContact O-CB 3.29Å; A592-A596 PolarHBondContact O-N 3.39Å; I593-A596 PolarHBondContact O-N 3.37Å; E594-A596 VanDerWaalsContact C-N 3.35Å; A596-Y599 PolarHBondContact O-N 3.31Å; A596-L600 WeakPolarHBondContact O-CG 3.18Å; A596-L600 PolarHBondContact O-N 2.87Å; A596-F618 HydrophobicContact CB-CD2 3.93Å; A596-F618 HydrophobicContact CB-CE2 4.28Å
597	I	92.1	Very high	90.4	Very high	18 Å²	18	66 Å²	66	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-47.2	-179.4	-66.1	171.4	0	0	0	110.4	A564 Y565 K568 I593 Y599 L600 D601	A564-I597 HydrophobicContact CB-CG1 4.21Å; Y565-I597 HydrophobicContact CD1-CD1 4.3Å; Y565-I597 HydrophobicContact CE1-CD1 3.92Å; K568-I597 HydrophobicContact CD-CD1 4Å; I593-I597 HydrophobicContact CG2-CD1 3.75Å; I593-I597 HydrophobicContact CG2-CG1 4.41Å; I593-I597 WeakPolarHBondContact O-CG1 3.39Å; I593-I597 PolarHBondContact O-N 3.23Å; I597-Y599 VanDerWaalsContact C-N 3.28Å; I597-Y599 PolarHBondContact O-N 2.86Å; I597-L600 PolarHBondContact O-N 3.02Å; I597-L600 VanDerWaalsContact O-N 3.14Å; I597-D601 PolarHBondContact O-N 2.91Å
598	S	93.4	Very high	90.4	Very high	82 Å²	82	60.1 Å²	60.1	57%	0.573	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-39.9	178	-177.7	0	0	0	0	112.1	E594 G602	E594-S598 WeakPolarHBondContact O-CB 3.15Å; E594-S598 PolarHBondContact O-N 3.35Å; S598-G602 PolarHBondContact O-N 2.94Å
599	Y	93.4	Very high	90.5	Very high	30 Å²	30	59.9 Å²	59.9	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-46.7	174.2	171.6	-91.7	0	0	0	111.9	F560 E595 A596 I597 D601 G602 N603 A606 E610 L611 K614	F560-Y599 AromaticContact CE1-CD1 3.96Å; F560-Y599 HydrophobicContact CE1-CD1 3.96Å; F560-Y599 HydrophobicContact CE1-CE1 4.39Å; E595-Y599 WeakPolarHBondContact O-CB 3.17Å; E595-Y599 PolarHBondContact O-N 2.97Å; A596-Y599 PolarHBondContact O-N 3.31Å; I597-Y599 VanDerWaalsContact C-N 3.28Å; I597-Y599 PolarHBondContact O-N 2.86Å; Y599-D601 PolarHBondContact O-N 2.96Å; Y599-G602 PolarHBondContact O-N 3.01Å; Y599-N603 VanDerWaalsContact CD2-ND2 3.29Å; Y599-N603 WeakPolarHBondContact CD2-ND2 3.14Å; Y599-N603 HydrophobicContact CE2-CB 4.21Å; Y599-N603 WeakPolarHBondContact CE2-ND2 3.37Å; Y599-N603 WeakPolarHBondContact O-CB 3.19Å; Y599-N603 PolarHBondContact O-N 3.49Å; Y599-N603 PolarHBondContact O-ND2 3.35Å; Y599-A606 HydrophobicContact CE1-CB 4.49Å; Y599-A606 WeakPolarHBondContact OH-CB 3.29Å; Y599-E610 WeakPolarHBondContact OH-CG 3.35Å; Y599-E610 PolarHBondContact OH-OE1 2.8Å; Y599-L611 HydrophobicContact CE1-CD2 4.37Å; Y599-K614 HydrophobicContact CD1-CB 4.36Å; Y599-K614 HydrophobicContact CD1-CD 4.5Å; Y599-K614 HydrophobicContact CD1-CG 4.2Å; Y599-K614 HydrophobicContact CD2-CD 4.22Å; Y599-K614 HydrophobicContact CE1-CB 4.09Å; Y599-K614 HydrophobicContact CE1-CD 4.38Å; Y599-K614 HydrophobicContact CE1-CG 3.72Å; Y599-K614 HydrophobicContact CE2-CD 4.08Å; Y599-K614 HydrophobicContact CE2-CG 4.1Å; Y599-K614 HydrophobicContact CG-CD 4.43Å
600	L	91.4	Very high	90.6	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-44.8	178.9	-76	166	0	0	0	111.4	R557 F560 E561 A596 I597 N603 L611	R557-L600 HydrophobicContact CG-CD2 3.78Å; R557-L600 VanDerWaalsContact CZ-O 3.26Å; R557-L600 PolarHBondContact NH1-O 2.84Å; R557-L600 VanDerWaalsContact NH2-C 3.35Å; R557-L600 PolarHBondContact NH2-O 2.8Å; F560-L600 HydrophobicContact CD1-CD1 4.01Å; F560-L600 HydrophobicContact CD1-CD2 3.66Å; F560-L600 HydrophobicContact CD1-CG 3.89Å; F560-L600 HydrophobicContact CE1-CD1 4.34Å; F560-L600 HydrophobicContact CE1-CD2 4.23Å; F560-L600 HydrophobicContact CE1-CG 4.06Å; F560-L600 HydrophobicContact CG-CD1 4.18Å; F560-L600 HydrophobicContact CG-CD2 4.36Å; E561-L600 HydrophobicContact CB-CD1 3.81Å; E561-L600 HydrophobicContact CG-CD1 4.21Å; A596-L600 WeakPolarHBondContact O-CG 3.18Å; A596-L600 PolarHBondContact O-N 2.87Å; I597-L600 PolarHBondContact O-N 3.02Å; I597-L600 VanDerWaalsContact O-N 3.14Å; L600-N603 CarbonylContact O-C 3.59Å; L600-N603 PolarHBondContact O-N 2.96Å; L600-L611 HydrophobicContact CD2-CD2 3.91Å
601	D	90.6	Very high	90.6	Very high	103 Å²	103	60 Å²	60	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-40	178.3	-70.9	-19.3	0	0	0	112.1	I597 Y599	I597-D601 PolarHBondContact O-N 2.91Å; Y599-D601 PolarHBondContact O-N 2.96Å
602	G	89.8	Confident	90.7	Very high	54 Å²	54	58.8 Å²	58.8	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-76.2	-19.4	179.7	0	0	0	0	0	114.8	S598 Y599 P604	S598-G602 PolarHBondContact O-N 2.94Å; Y599-G602 PolarHBondContact O-N 3.01Å; G602-P604 VanDerWaalsContact C-CD 3.46Å; G602-P604 WeakPolarHBondContact O-CD 3.3Å
603	N	89.6	Confident	90.7	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.332	34%	0.338	S	S	.	.			trans	-127.9	66.6	-175.4	-57	-86.9	0	0	0	111.1	R557 Y599 L600 Q605 A606	R557-N603 PolarHBondContact NH1-O 3.26Å; Y599-N603 VanDerWaalsContact CD2-ND2 3.29Å; Y599-N603 WeakPolarHBondContact CD2-ND2 3.14Å; Y599-N603 HydrophobicContact CE2-CB 4.21Å; Y599-N603 WeakPolarHBondContact CE2-ND2 3.37Å; Y599-N603 WeakPolarHBondContact O-CB 3.19Å; Y599-N603 PolarHBondContact O-N 3.49Å; Y599-N603 PolarHBondContact O-ND2 3.35Å; L600-N603 CarbonylContact O-C 3.59Å; L600-N603 PolarHBondContact O-N 2.96Å; N603-Q605 PolarHBondContact O-N 2.86Å; N603-Q605 VanDerWaalsContact O-N 3.16Å; N603-A606 HydrophobicContact CB-CB 4.03Å; N603-A606 PolarHBondContact O-N 2.94Å
604	P	80.5	Confident	90.8	Very high	78 Å²	78	68.8 Å²	68.8	51%	0.506	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.1	-178.8	24.7	-34	0	0	0	113.2	G602	G602-P604 VanDerWaalsContact C-CD 3.46Å; G602-P604 WeakPolarHBondContact O-CD 3.3Å
605	Q	82.3	Confident	90.8	Very high	104 Å²	104	63.5 Å²	63.5	49%	0.486	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	18.8	-177	-58	-63.6	-34.5	0	0	112.9	N603 E607	N603-Q605 PolarHBondContact O-N 2.86Å; N603-Q605 VanDerWaalsContact O-N 3.16Å; Q605-E607 PolarHBondContact O-N 3.34Å
606	A	87	Confident	90.8	Very high	5 Å²	5	64.9 Å²	64.9	4%	0.041	34%	0.335	C	S	.	.			trans	-56	138.5	179	0	0	0	0	0	111.9	R553 Y599 N603 L611	R553-A606 VanDerWaalsContact CD-O 3.28Å; R553-A606 WeakPolarHBondContact CD-O 3.45Å; R553-A606 WeakPolarHBondContact CG-O 3.31Å; Y599-A606 HydrophobicContact CE1-CB 4.49Å; Y599-A606 WeakPolarHBondContact OH-CB 3.29Å; N603-A606 HydrophobicContact CB-CB 4.03Å; N603-A606 PolarHBondContact O-N 2.94Å; A606-L611 HydrophobicContact CB-CD1 4.46Å; A606-L611 HydrophobicContact CB-CD2 3.87Å; A606-L611 HydrophobicContact CB-CG 3.86Å; A606-L611 WeakPolarHBondContact O-CD1 3.44Å
607	E	89.3	Confident	90.8	Very high	128 Å²	128	66.9 Å²	66.9	60%	0.598	35%	0.352	S	S	*	.			trans	-70.5	155.4	-179.9	-71.1	-63.4	152.2	0	0	111.8	Q605 E609 E610 L611	Q605-E607 PolarHBondContact O-N 3.34Å; E607-E609 VanDerWaalsContact C-N 3.29Å; E607-E609 PolarHBondContact O-N 3.05Å; E607-E610 WeakPolarHBondContact O-CB 3.44Å; E607-E610 PolarHBondContact O-N 3.29Å; E607-L611 WeakPolarHBondContact O-CG 3.34Å; E607-L611 PolarHBondContact O-N 3.21Å
608	V	89.5	Confident	90.9	Very high	14 Å²	14	66.5 Å²	66.5	9%	0.085	35%	0.35	C	S	.	.	H	α-helix	trans	-51.3	-47.5	-177.9	-177.8	0	0	0	0	112	E552 R553 A556 E610 L611 K612	E552-V608 HydrophobicContact CB-CG1 4.49Å; E552-V608 HydrophobicContact CB-CG2 4.15Å; R553-V608 HydrophobicContact CB-CG2 3.78Å; R553-V608 HydrophobicContact CG-CG2 4.49Å; A556-V608 HydrophobicContact CB-CG1 4.39Å; V608-E610 VanDerWaalsContact C-N 3.34Å; V608-E610 PolarHBondContact O-N 3.44Å; V608-L611 PolarHBondContact O-N 3.25Å; V608-K612 HydrophobicContact CG1-CD 4.07Å; V608-K612 WeakPolarHBondContact O-CB 3.29Å; V608-K612 WeakPolarHBondContact O-CG 3.38Å; V608-K612 PolarHBondContact O-N 2.84Å
609	E	91.9	Very high	90.8	Very high	114 Å²	114	64.1 Å²	64.1	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-68.8	-34.2	-178.3	-66.4	-55.1	126.1	0	0	112.1	E607 K612 Q613	E607-E609 VanDerWaalsContact C-N 3.29Å; E607-E609 PolarHBondContact O-N 3.05Å; E609-K612 IonicContact OE1-NZ 2.8Å; E609-Q613 VanDerWaalsContact O-CB 3.3Å; E609-Q613 WeakPolarHBondContact O-CB 3.47Å; E609-Q613 WeakPolarHBondContact O-CG 3.22Å; E609-Q613 PolarHBondContact O-N 3.36Å
610	E	92.5	Very high	90.8	Very high	79 Å²	79	67.5 Å²	67.5	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-68.4	-44.5	175.2	-162.7	-176.6	-179.5	0	0	110.6	Y599 E607 V608 Q613 K614	Y599-E610 WeakPolarHBondContact OH-CG 3.35Å; Y599-E610 PolarHBondContact OH-OE1 2.8Å; E607-E610 WeakPolarHBondContact O-CB 3.44Å; E607-E610 PolarHBondContact O-N 3.29Å; V608-E610 VanDerWaalsContact C-N 3.34Å; V608-E610 PolarHBondContact O-N 3.44Å; E610-Q613 PolarHBondContact O-N 2.96Å; E610-K614 WeakPolarHBondContact O-CB 3.34Å; E610-K614 WeakPolarHBondContact O-CG 3.41Å; E610-K614 PolarHBondContact O-N 3.48Å
611	L	92.1	Very high	90.8	Very high	2 Å²	2	71 Å²	71	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.7	-72.1	167.7	0	0	0	111.5	R553 A556 R557 Y599 L600 A606 E607 V608 K614 K615	R553-L611 HydrophobicContact CG-CD1 3.88Å; R553-L611 WeakPolarHBondContact O-CD1 3Å; A556-L611 HydrophobicContact CB-CB 4.15Å; A556-L611 HydrophobicContact CB-CD1 4.33Å; R557-L611 HydrophobicContact CB-CD1 3.91Å; R557-L611 HydrophobicContact CB-CD2 4.32Å; R557-L611 HydrophobicContact CG-CD2 4.41Å; Y599-L611 HydrophobicContact CE1-CD2 4.37Å; L600-L611 HydrophobicContact CD2-CD2 3.91Å; A606-L611 HydrophobicContact CB-CD1 4.46Å; A606-L611 HydrophobicContact CB-CD2 3.87Å; A606-L611 HydrophobicContact CB-CG 3.86Å; A606-L611 WeakPolarHBondContact O-CD1 3.44Å; E607-L611 WeakPolarHBondContact O-CG 3.34Å; E607-L611 PolarHBondContact O-N 3.21Å; V608-L611 PolarHBondContact O-N 3.25Å; L611-K614 PolarHBondContact O-N 3.13Å; L611-K615 VanDerWaalsContact O-CB 3.3Å; L611-K615 WeakPolarHBondContact O-CB 3.47Å; L611-K615 PolarHBondContact O-N 3.48Å
612	K	93.5	Very high	90.7	Very high	101 Å²	101	66.3 Å²	66.3	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-41.1	176.8	-74	176	-177	168.5	0	112.4	A556 V608 E609 K616	A556-K612 HydrophobicContact CB-CG 4.44Å; V608-K612 HydrophobicContact CG1-CD 4.07Å; V608-K612 WeakPolarHBondContact O-CB 3.29Å; V608-K612 WeakPolarHBondContact O-CG 3.38Å; V608-K612 PolarHBondContact O-N 2.84Å; E609-K612 IonicContact OE1-NZ 2.8Å; K612-K616 VanDerWaalsContact O-CB 3.29Å; K612-K616 WeakPolarHBondContact O-CB 3.46Å; K612-K616 PolarHBondContact O-N 3.21Å
613	Q	93.8	Very high	90.7	Very high	128 Å²	128	68.1 Å²	68.1	60%	0.598	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-42.6	176.6	-76.5	172.8	21.3	0	0	111.9	E609 E610 K616 A617	E609-Q613 VanDerWaalsContact O-CB 3.3Å; E609-Q613 WeakPolarHBondContact O-CB 3.47Å; E609-Q613 WeakPolarHBondContact O-CG 3.22Å; E609-Q613 PolarHBondContact O-N 3.36Å; E610-Q613 PolarHBondContact O-N 2.96Å; Q613-K616 PolarHBondContact O-N 3.44Å; Q613-A617 WeakPolarHBondContact O-CB 3.41Å; Q613-A617 PolarHBondContact O-N 3.47Å
614	K	94	Very high	90.7	Very high	93 Å²	93	69 Å²	69	40%	0.404	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-41.8	177	-69.7	-75.2	-176.1	177.9	0	111.7	F560 Y599 E610 L611 A617 F618	F560-K614 HydrophobicContact CD1-CB 4.44Å; F560-K614 HydrophobicContact CE1-CB 3.67Å; F560-K614 HydrophobicContact CZ-CB 4.11Å; Y599-K614 HydrophobicContact CD1-CB 4.36Å; Y599-K614 HydrophobicContact CD1-CD 4.5Å; Y599-K614 HydrophobicContact CD1-CG 4.2Å; Y599-K614 HydrophobicContact CD2-CD 4.22Å; Y599-K614 HydrophobicContact CE1-CB 4.09Å; Y599-K614 HydrophobicContact CE1-CD 4.38Å; Y599-K614 HydrophobicContact CE1-CG 3.72Å; Y599-K614 HydrophobicContact CE2-CD 4.08Å; Y599-K614 HydrophobicContact CE2-CG 4.1Å; Y599-K614 HydrophobicContact CG-CD 4.43Å; E610-K614 WeakPolarHBondContact O-CB 3.34Å; E610-K614 WeakPolarHBondContact O-CG 3.41Å; E610-K614 PolarHBondContact O-N 3.48Å; L611-K614 PolarHBondContact O-N 3.13Å; K614-A617 PolarHBondContact O-N 2.75Å; K614-F618 WeakPolarHBondContact O-CB 3.18Å; K614-F618 PolarHBondContact O-N 2.98Å
615	K	93.6	Very high	90.9	Very high	27 Å²	27	66.2 Å²	66.2	12%	0.117	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-46.2	171.5	-174.6	178.5	-175.7	-72.8	0	111.4	E559 F560 S563 L611 A617 F618 D619	E559-K615 HydrophobicContact CG-CD 4.3Å; E559-K615 WeakPolarHBondContact OE1-CE 3.36Å; E559-K615 IonicContact OE1-NZ 3.78Å; E559-K615 PolarHBondContact OE1-NZ 3.48Å; F560-K615 HydrophobicContact CB-CB 4.06Å; F560-K615 HydrophobicContact CB-CD 4.2Å; F560-K615 HydrophobicContact CB-CG 4.22Å; F560-K615 HydrophobicContact CD1-CB 4.41Å; F560-K615 HydrophobicContact CD2-CB 3.86Å; F560-K615 HydrophobicContact CD2-CG 3.96Å; F560-K615 HydrophobicContact CE2-CB 4.43Å; F560-K615 HydrophobicContact CG-CB 3.87Å; F560-K615 HydrophobicContact CG-CG 4.26Å; S563-K615 WeakPolarHBondContact OG-CE 3.28Å; L611-K615 VanDerWaalsContact O-CB 3.3Å; L611-K615 WeakPolarHBondContact O-CB 3.47Å; L611-K615 PolarHBondContact O-N 3.48Å; K615-A617 PolarHBondContact O-N 2.76Å; K615-F618 CarbonylContact O-C 3.57Å; K615-F618 WeakPolarHBondContact O-CB 3.42Å; K615-F618 PolarHBondContact O-N 3.05Å; K615-D619 IonicContact NZ-OD2 2.9Å; K615-D619 PolarHBondContact NZ-OD2 3.15Å; K615-D619 WeakPolarHBondContact O-CB 3.31Å; K615-D619 PolarHBondContact O-N 3.21Å
616	K	94	Very high	91	Very high	134 Å²	134	62.2 Å²	62.2	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-42.6	176.8	-174.1	179.3	178.7	-178.8	0	112.1	K612 Q613 F618 D619 D620	K612-K616 VanDerWaalsContact O-CB 3.29Å; K612-K616 WeakPolarHBondContact O-CB 3.46Å; K612-K616 PolarHBondContact O-N 3.21Å; Q613-K616 PolarHBondContact O-N 3.44Å; K616-F618 VanDerWaalsContact C-N 3.3Å; K616-F618 PolarHBondContact O-N 3.41Å; K616-D619 CarbonylContact O-C 3.51Å; K616-D619 PolarHBondContact O-N 3.25Å; K616-D620 WeakPolarHBondContact O-CB 3.25Å; K616-D620 PolarHBondContact O-N 3.25Å
617	A	92.7	Very high	90.8	Very high	48 Å²	48	64.5 Å²	64.5	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-38.1	176	0	0	0	0	0	111.9	Q613 K614 K615 I621	Q613-A617 WeakPolarHBondContact O-CB 3.41Å; Q613-A617 PolarHBondContact O-N 3.47Å; K614-A617 PolarHBondContact O-N 2.75Å; K615-A617 PolarHBondContact O-N 2.76Å; A617-I621 WeakPolarHBondContact O-CD1 3.5Å; A617-I621 WeakPolarHBondContact O-CG1 3.38Å; A617-I621 PolarHBondContact O-N 3.37Å
618	F	94.1	Very high	90.4	Very high	10 Å²	10	61 Å²	61	4%	0.044	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-48.3	170.7	170	-95.6	0	0	0	111.5	F560 A564 L567 A592 I593 A596 K614 K615 K616 D620 I621 V622	F560-F618 HydrophobicContact CE2-CB 3.75Å; F560-F618 HydrophobicContact CE2-CD1 4.19Å; F560-F618 HydrophobicContact CE2-CD2 4.43Å; F560-F618 AromaticContact CE2-CG 3.88Å; F560-F618 HydrophobicContact CE2-CG 3.88Å; F560-F618 HydrophobicContact CZ-CB 4.32Å; A564-F618 HydrophobicContact CB-CZ 4.37Å; L567-F618 HydrophobicContact CB-CZ 4.47Å; L567-F618 HydrophobicContact CD2-CE1 4.24Å; L567-F618 HydrophobicContact CD2-CE2 4.18Å; L567-F618 HydrophobicContact CD2-CZ 3.48Å; L567-F618 VanDerWaalsContact CD2-CZ 3.48Å; A592-F618 HydrophobicContact CB-CD2 3.97Å; A592-F618 HydrophobicContact CB-CE2 4.19Å; I593-F618 HydrophobicContact CG1-CE2 3.87Å; I593-F618 HydrophobicContact CG1-CZ 4.19Å; A596-F618 HydrophobicContact CB-CD2 3.93Å; A596-F618 HydrophobicContact CB-CE2 4.28Å; K614-F618 WeakPolarHBondContact O-CB 3.18Å; K614-F618 PolarHBondContact O-N 2.98Å; K615-F618 CarbonylContact O-C 3.57Å; K615-F618 WeakPolarHBondContact O-CB 3.42Å; K615-F618 PolarHBondContact O-N 3.05Å; K616-F618 VanDerWaalsContact C-N 3.3Å; K616-F618 PolarHBondContact O-N 3.41Å; F618-D620 PolarHBondContact O-N 2.81Å; F618-I621 PolarHBondContact O-N 2.85Å; F618-V622 HydrophobicContact CD2-CG2 4.41Å; F618-V622 HydrophobicContact CE1-CG2 4.49Å; F618-V622 HydrophobicContact CE2-CG2 4.13Å; F618-V622 HydrophobicContact CZ-CG2 4.19Å; F618-V622 WeakPolarHBondContact O-CG2 3.31Å; F618-V622 PolarHBondContact O-N 3.17Å; F618-V622 VanDerWaalsContact O-N 3.13Å
619	D	92.1	Very high	89.7	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-39.9	178.1	-72.7	-30.4	0	0	0	112	K615 K616 I621 V622 Q623	K615-D619 IonicContact NZ-OD2 2.9Å; K615-D619 PolarHBondContact NZ-OD2 3.15Å; K615-D619 WeakPolarHBondContact O-CB 3.31Å; K615-D619 PolarHBondContact O-N 3.21Å; K616-D619 CarbonylContact O-C 3.51Å; K616-D619 PolarHBondContact O-N 3.25Å; D619-I621 PolarHBondContact O-N 3.15Å; D619-V622 PolarHBondContact O-N 3.23Å; D619-V622 VanDerWaalsContact O-N 3.15Å; D619-Q623 HydrophobicContact CB-CG 4.07Å; D619-Q623 WeakPolarHBondContact O-CB 3.44Å; D619-Q623 VanDerWaalsContact O-CG 3.22Å; D619-Q623 WeakPolarHBondContact O-CG 3.39Å; D619-Q623 PolarHBondContact O-N 3.48Å
620	D	92.9	Very high	88.8	Confident	102 Å²	102	62.1 Å²	62.1	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-26.7	178.6	-75.1	-21.2	0	0	0	112.1	K616 F618 P624	K616-D620 WeakPolarHBondContact O-CB 3.25Å; K616-D620 PolarHBondContact O-N 3.25Å; F618-D620 PolarHBondContact O-N 2.81Å; D620-P624 VanDerWaalsContact O-CD 3.29Å; D620-P624 WeakPolarHBondContact O-CD 3.4Å; D620-P624 WeakPolarHBondContact O-CG 3.17Å
621	I	90.3	Very high	87.7	Confident	75 Å²	75	66.1 Å²	66.1	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-79.5	-43.3	173.7	-65.5	165.3	0	0	0	110.5	A592 A617 F618 D619 I625	A592-I621 HydrophobicContact CB-CD1 4.39Å; A592-I621 HydrophobicContact CB-CG2 4.1Å; A617-I621 WeakPolarHBondContact O-CD1 3.5Å; A617-I621 WeakPolarHBondContact O-CG1 3.38Å; A617-I621 PolarHBondContact O-N 3.37Å; F618-I621 PolarHBondContact O-N 2.85Å; D619-I621 PolarHBondContact O-N 3.15Å; I621-I625 WeakPolarHBondContact O-CD1 2.87Å
622	V	90.4	Very high	86.4	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-87.7	-43.8	-167.8	173.3	0	0	0	0	112.7	L567 I589 A592 F618 D619 I625 I626	L567-V622 HydrophobicContact CD1-CG1 4.06Å; L567-V622 HydrophobicContact CD2-CB 4.18Å; L567-V622 HydrophobicContact CD2-CG1 3.43Å; L567-V622 VanDerWaalsContact CD2-CG1 3.43Å; L567-V622 HydrophobicContact CD2-CG2 3.7Å; L567-V622 HydrophobicContact CG-CG1 4.39Å; I589-V622 HydrophobicContact CG1-CG2 4.37Å; I589-V622 HydrophobicContact CG2-CG2 4.02Å; A592-V622 HydrophobicContact CB-CG2 4.39Å; F618-V622 HydrophobicContact CD2-CG2 4.41Å; F618-V622 HydrophobicContact CE1-CG2 4.49Å; F618-V622 HydrophobicContact CE2-CG2 4.13Å; F618-V622 HydrophobicContact CZ-CG2 4.19Å; F618-V622 WeakPolarHBondContact O-CG2 3.31Å; F618-V622 PolarHBondContact O-N 3.17Å; F618-V622 VanDerWaalsContact O-N 3.13Å; D619-V622 PolarHBondContact O-N 3.23Å; D619-V622 VanDerWaalsContact O-N 3.15Å; V622-I625 WeakPolarHBondContact O-CB 3.44Å; V622-I625 PolarHBondContact O-N 3.16Å; V622-I626 HydrophobicContact CG1-CD1 3.41Å; V622-I626 VanDerWaalsContact CG1-CD1 3.41Å; V622-I626 HydrophobicContact CG1-CG1 3.95Å; V622-I626 WeakPolarHBondContact O-CG1 3.36Å; V622-I626 PolarHBondContact O-N 2.97Å
623	Q	89.2	Confident	84.8	Confident	92 Å²	92	72.3 Å²	72.3	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-40.4	-172.5	-70	-67.1	-20.5	0	0	114.2	D619 I625 I626 S627	D619-Q623 HydrophobicContact CB-CG 4.07Å; D619-Q623 WeakPolarHBondContact O-CB 3.44Å; D619-Q623 VanDerWaalsContact O-CG 3.22Å; D619-Q623 WeakPolarHBondContact O-CG 3.39Å; D619-Q623 PolarHBondContact O-N 3.48Å; Q623-I625 VanDerWaalsContact C-N 3.29Å; Q623-I625 PolarHBondContact O-N 3.41Å; Q623-I626 PolarHBondContact O-N 2.74Å; Q623-S627 VanDerWaalsContact O-CB 3.25Å; Q623-S627 WeakPolarHBondContact O-CB 3.33Å; Q623-S627 PolarHBondContact O-N 3.18Å; Q623-S627 PolarHBondContact O-OG 3.25Å
624	P	88.7	Confident	82.5	Confident	80 Å²	80	69.6 Å²	69.6	52%	0.519	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-36.5	176.7	-23.4	35.2	0	0	0	112.6	D620 S628	D620-P624 VanDerWaalsContact O-CD 3.29Å; D620-P624 WeakPolarHBondContact O-CD 3.4Å; D620-P624 WeakPolarHBondContact O-CG 3.17Å; P624-S628 WeakPolarHBondContact O-CB 3.29Å; P624-S628 PolarHBondContact O-N 3.47Å
625	I	85.3	Confident	80.3	Confident	20 Å²	20	67.9 Å²	67.9	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-48.4	178	-61.7	175.3	0	0	0	109.5	L581 D585 K588 I589 I621 V622 Q623 L629	L581-I625 HydrophobicContact CD2-CG2 3.38Å; D585-I625 HydrophobicContact CB-CD1 4.36Å; D585-I625 HydrophobicContact CB-CG2 3.63Å; K588-I625 HydrophobicContact CB-CD1 4.17Å; K588-I625 HydrophobicContact CD-CD1 4.24Å; I589-I625 HydrophobicContact CD1-CB 4.45Å; I589-I625 HydrophobicContact CD1-CD1 4.46Å; I589-I625 HydrophobicContact CD1-CG2 3.88Å; I589-I625 HydrophobicContact CG1-CD1 3.98Å; I621-I625 WeakPolarHBondContact O-CD1 2.87Å; V622-I625 WeakPolarHBondContact O-CB 3.44Å; V622-I625 PolarHBondContact O-N 3.16Å; Q623-I625 VanDerWaalsContact C-N 3.29Å; Q623-I625 PolarHBondContact O-N 3.41Å; I625-L629 PolarHBondContact O-N 3.39Å
626	I	83.3	Confident	77.6	Confident	20 Å²	20	72.1 Å²	72.1	10%	0.103	41%	0.412	C	S	.	.	H	α-helix	trans	-63.6	-45.2	177.8	-64.6	-177.5	0	0	0	111	L567 L577 V622 Q623 S628 L629 Y630	L567-I626 HydrophobicContact CD1-CD1 3.88Å; L577-I626 HydrophobicContact CD2-CG1 3.99Å; L577-I626 HydrophobicContact CD2-CG2 4.45Å; V622-I626 HydrophobicContact CG1-CD1 3.41Å; V622-I626 VanDerWaalsContact CG1-CD1 3.41Å; V622-I626 HydrophobicContact CG1-CG1 3.95Å; V622-I626 WeakPolarHBondContact O-CG1 3.36Å; V622-I626 PolarHBondContact O-N 2.97Å; Q623-I626 PolarHBondContact O-N 2.74Å; I626-S628 PolarHBondContact O-N 3.04Å; I626-L629 WeakPolarHBondContact O-CB 3.33Å; I626-L629 PolarHBondContact O-N 3.48Å; I626-Y630 HydrophobicContact CG2-CD2 3.78Å; I626-Y630 HydrophobicContact CG2-CE2 3.54Å; I626-Y630 VanDerWaalsContact O-CD2 3.26Å; I626-Y630 WeakPolarHBondContact O-CD2 3.42Å; I626-Y630 PolarHBondContact O-N 3.4Å; I626-Y630 VanDerWaalsContact O-N 3.16Å
627	S	83	Confident	75.1	Confident	54 Å²	54	71.1 Å²	71.1	38%	0.378	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-40.4	-179	-63.2	0	0	0	0	112.7	Q623 L629 Y630 Q631	Q623-S627 VanDerWaalsContact O-CB 3.25Å; Q623-S627 WeakPolarHBondContact O-CB 3.33Å; Q623-S627 PolarHBondContact O-N 3.18Å; Q623-S627 PolarHBondContact O-OG 3.25Å; S627-L629 VanDerWaalsContact C-N 3.26Å; S627-L629 PolarHBondContact O-N 3.05Å; S627-Y630 PolarHBondContact O-N 3.08Å; S627-Q631 PolarHBondContact O-N 3.31Å
628	S	81.1	Confident	72.9	Confident	54 Å²	54	74.4 Å²	74.4	38%	0.378	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-39.4	174.9	-169.8	0	0	0	0	111.5	P624 I626 Y630 Q631 Q632	P624-S628 WeakPolarHBondContact O-CB 3.29Å; P624-S628 PolarHBondContact O-N 3.47Å; I626-S628 PolarHBondContact O-N 3.04Å; S628-Y630 PolarHBondContact O-N 3.13Å; S628-Q631 PolarHBondContact O-N 3.11Å; S628-Q632 WeakPolarHBondContact O-CG 3.31Å; S628-Q632 PolarHBondContact O-N 3.33Å
629	L	75.1	Confident	70.1	Confident	21 Å²	21	78.4 Å²	78.4	11%	0.11	47%	0.471	C	S	.	.	H	α-helix	trans	-60.9	-43.3	175.9	-154.7	102.6	0	0	0	112.2	L577 K580 L581 I625 I626 S627 S633	L577-L629 HydrophobicContact CD2-CD2 3.89Å; L577-L629 HydrophobicContact CG-CD2 4.32Å; K580-L629 HydrophobicContact CB-CD1 3.75Å; K580-L629 HydrophobicContact CB-CD2 3.84Å; K580-L629 HydrophobicContact CB-CG 4.08Å; K580-L629 HydrophobicContact CD-CD2 4.05Å; K580-L629 VanDerWaalsContact O-CD1 3.31Å; K580-L629 WeakPolarHBondContact O-CD1 3.5Å; L581-L629 HydrophobicContact CD2-CD1 3.84Å; L581-L629 HydrophobicContact CG-CD1 4.07Å; I625-L629 PolarHBondContact O-N 3.39Å; I626-L629 WeakPolarHBondContact O-CB 3.33Å; I626-L629 PolarHBondContact O-N 3.48Å; S627-L629 VanDerWaalsContact C-N 3.26Å; S627-L629 PolarHBondContact O-N 3.05Å; L629-S633 PolarHBondContact O-N 3.25Å; L629-S633 PolarHBondContact O-OG 3.13Å
630	Y	73.1	Confident	67.5	Low	131 Å²	131	85.2 Å²	85.2	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-69.9	-40.8	177.9	-80	-74.8	0	0	0	112.5	I626 S627 S628 Q632 S633	I626-Y630 HydrophobicContact CG2-CD2 3.78Å; I626-Y630 HydrophobicContact CG2-CE2 3.54Å; I626-Y630 VanDerWaalsContact O-CD2 3.26Å; I626-Y630 WeakPolarHBondContact O-CD2 3.42Å; I626-Y630 PolarHBondContact O-N 3.4Å; I626-Y630 VanDerWaalsContact O-N 3.16Å; S627-Y630 PolarHBondContact O-N 3.08Å; S628-Y630 PolarHBondContact O-N 3.13Å; Y630-Q632 PolarHBondContact O-N 3.38Å; Y630-S633 WeakPolarHBondContact O-CB 3.39Å; Y630-S633 PolarHBondContact O-N 3.09Å
631	Q	69.8	Low	64.9	Low	163 Å²	163	86.1 Å²	86.1	76%	0.762	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-37.3	177.9	-75.5	-177.3	-5.2	0	0	112.9	S627 S628 S633	S627-Q631 PolarHBondContact O-N 3.31Å; S628-Q631 PolarHBondContact O-N 3.11Å; Q631-S633 PolarHBondContact O-N 3.43Å
632	Q	64.6	Low	62.1	Low	162 Å²	162	90.7 Å²	90.7	76%	0.757	53%	0.533	S	S	*	.	H	α-helix	trans	-67.1	-20.6	173	-72	179	17.3	0	0	112.9	S628 Y630	S628-Q632 WeakPolarHBondContact O-CG 3.31Å; S628-Q632 PolarHBondContact O-N 3.33Å; Y630-Q632 PolarHBondContact O-N 3.38Å
633	S	59	Low	59.7	Low	70 Å²	70	97.1 Å²	97.1	49%	0.49	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-2.3	-175.8	-57.5	0	0	0	0	114.4	L629 Y630 Q631 A635	L629-S633 PolarHBondContact O-N 3.25Å; L629-S633 PolarHBondContact O-OG 3.13Å; Y630-S633 WeakPolarHBondContact O-CB 3.39Å; Y630-S633 PolarHBondContact O-N 3.09Å; Q631-S633 PolarHBondContact O-N 3.43Å; S633-A635 VanDerWaalsContact C-N 3.28Å; S633-A635 PolarHBondContact O-N 3.24Å
634	G	46.9	Very low	57.1	Low	71 Å²	71	100.2 Å²	100.2	73%	0.732	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.1	18.1	173.1	0	0	0	0	0	116.5
635	A	47.4	Very low	54.5	Low	57 Å²	57	106.9 Å²	106.9	47%	0.471	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-90.8	143.3	175.8	0	0	0	0	0	110.8	S633	S633-A635 VanDerWaalsContact C-N 3.28Å; S633-A635 PolarHBondContact O-N 3.24Å
636	P	37.3	Very low	52.4	Low	117 Å²	117	113 Å²	113	76%	0.76	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.5	145	176.2	26.2	-32.6	0	0	0	109.8
637	P	41.6	Very low	49.9	Very low	113 Å²	113	120.4 Å²	120.4	73%	0.734	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.4	146.6	-179.9	24.6	-31.3	0	0	0	109.8	A639	P637-A639 PolarHBondContact O-N 3.45Å
638	P	45	Very low	47.7	Very low	116 Å²	116	127.5 Å²	127.5	75%	0.753	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-55.5	134.1	174.9	23.6	-31.1	0	0	0	108.1	Q640	P638-Q640 PolarHBondContact O-N 3.23Å
639	A	35.8	Very low	46	Very low	94 Å²	94	131.2 Å²	131.2	78%	0.777	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-47.3	123	170.5	0	0	0	0	0	107.1	P637	P637-A639 PolarHBondContact O-N 3.45Å
640	Q	36.5	Very low	44.5	Very low	175 Å²	175	136.9 Å²	136.9	82%	0.818	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-53.1	134.2	161.7	-77.1	-171.7	-27.1	0	0	105.5	P638 E642	P638-Q640 PolarHBondContact O-N 3.23Å; Q640-E642 PolarHBondContact O-N 3.49Å
641	P	38.8	Very low	42.9	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	76%	0.762	S	S	*	*			trans	-55.5	112.5	172.2	22.9	-29	0	0	0	105.4	T643	P641-T643 PolarHBondContact O-N 2.9Å; P641-T643 VanDerWaalsContact O-N 3.12Å
642	E	32.5	Very low	41.4	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	76%	0.762	S	S	*	*			trans	-50.3	126	158.1	-78.5	-174.7	158.6	0	0	103.8	Q640 E644	Q640-E642 PolarHBondContact O-N 3.49Å; E642-E644 PolarHBondContact O-N 3.11Å
643	T	38.6	Very low	39.9	Very low	137 Å²	137	134.1 Å²	134.1	84%	0.84	76%	0.763	S	S	*	*			trans	-62.2	79.8	162.9	35.4	0	0	0	0	105.7	P641 R645	P641-T643 PolarHBondContact O-N 2.9Å; P641-T643 VanDerWaalsContact O-N 3.12Å; T643-R645 PolarHBondContact O-N 3.18Å
644	E	34.6	Very low	38.6	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.734	78%	0.781	S	S	*	*			trans	-53.7	100.9	159.3	-84.7	-175.4	154	0	0	103.8	E642 D646	E642-E644 PolarHBondContact O-N 3.11Å; E644-D646 PolarHBondContact O-N 2.98Å
645	R	34.5	Very low	38	Very low	220 Å²	220	143.2 Å²	143.2	83%	0.83	78%	0.784	S	S	*	*			trans	-54.8	101.8	153.3	-74.6	175	169.6	-176.6	-3.7	103.8	T643 E647	T643-R645 PolarHBondContact O-N 3.18Å; R645-E647 PolarHBondContact O-N 2.66Å
646	D	41.4	Very low	37.3	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	81%	0.808	S	S	*	*			trans	-60.8	92.5	162.2	-83	-31.2	0	0	0	106.5	E644 L648	E644-D646 PolarHBondContact O-N 2.98Å; D646-L648 VanDerWaalsContact C-N 3.29Å; D646-L648 PolarHBondContact O-N 3.23Å
647	E	31.2	Very low	37.3	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	81%	0.812	S	S	*	*			trans	-71.2	92.6	154	-70.9	-174.7	170.8	0	0	106.2	R645	R645-E647 PolarHBondContact O-N 2.66Å
648	L	37.2	Very low	36.9	Very low	203 Å²	203	156.2 Å²	156.2	100%	1.063	82%	0.82	S	S	*	*			trans	-178.3	0	132.8	-94	168.1	0	0	0	111.2	D646	D646-L648 VanDerWaalsContact C-N 3.29Å; D646-L648 PolarHBondContact O-N 3.23Å

Retrieved 648 of 648 residues in 246.1 ms (Link to these results)

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