A0A096NBW3_PAPAN Loading...

NHL repeat-containing protein 2

Required for normal embryonic development.

AlphaFold DB , UniProt , Accession A0A096NBW3, Species PAPAN (Papio anubis, Olive baboon), Gene NHLRC2, Length 726 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	30.6	Very low	51.5	Low	251 Å²	251	107.7 Å²	107.7	100%	1.236	66%	0.657	S	S	*	*				0	98.6	0	-78.5	-167.3	-102.2	0	0	107.5
2	A	28.4	Very low	54.9	Low	101 Å²	101	104.6 Å²	104.6	84%	0.835	64%	0.643	S	S	*	*			trans	-88.3	148.2	173	0	0	0	0	0	109.2
3	A	28	Very low	57.8	Low	94 Å²	94	97.5 Å²	97.5	78%	0.777	60%	0.604	S	S	*	*			trans	-60.1	140.3	-175.5	0	0	0	0	0	112.4	G5	A3-G5 PolarHBondContact O-N 2.88Å
4	P	36.6	Very low	60.3	Low	137 Å²	137	90.6 Å²	90.6	89%	0.89	56%	0.561	S	S	*	*	S	Bend	trans	-80	115.1	174	30.9	-28.3	0	0	0	109.1
5	G	34.3	Very low	62.5	Low	84 Å²	84	91.4 Å²	91.4	87%	0.866	56%	0.56	S	S	*	*	S	Bend	trans	170.4	-18.2	173.2	0	0	0	0	0	119.7	A3	A3-G5 PolarHBondContact O-N 2.88Å
6	S	35.6	Very low	64.6	Low	110 Å²	110	91.6 Å²	91.6	77%	0.769	56%	0.563	S	S	*	*			trans	-130.6	103.9	171.6	61.9	0	0	0	0	109.5	G8	S6-G8 PolarHBondContact O-N 3.01Å; S6-G8 VanDerWaalsContact O-N 3.15Å
7	R	52.7	Low	66.4	Low	159 Å²	159	87 Å²	87	60%	0.6	54%	0.536	S	S	*	.			trans	-59.8	118.2	160.1	-73.2	-176	-176.7	179	2.2	106
8	G	57.3	Low	68.1	Low	42 Å²	42	82.6 Å²	82.6	43%	0.433	51%	0.509	S	S	.	.			trans	-54.8	143.8	167.4	0	0	0	0	0	108.9	S6 S10	S6-G8 PolarHBondContact O-N 3.01Å; S6-G8 VanDerWaalsContact O-N 3.15Å; G8-S10 PolarHBondContact O-N 2.81Å
9	R	78.8	Confident	69.6	Low	182 Å²	182	81.6 Å²	81.6	69%	0.687	50%	0.502	S	S	*	.	S	Bend	trans	-79.4	52	175.1	-66.1	-176.4	178.9	-179.6	-1	110.4
10	S	91.4	Very high	71	Confident	4 Å²	4	81.4 Å²	81.4	3%	0.028	50%	0.504	C	S	.	.	S	Bend	trans	-129.2	177.4	-177.4	76	0	0	0	0	111.3	G8 S12 G13 E158	G8-S10 PolarHBondContact O-N 2.81Å; S10-S12 PolarHBondContact O-N 2.88Å; S10-S12 VanDerWaalsContact O-N 3.1Å; S10-S12 WeakPolarHBondContact OG-CB 3.19Å; S10-S12 PolarHBondContact OG-N 3.49Å; S10-S12 PolarHBondContact OG-OG 3.37Å; S10-G13 PolarHBondContact O-N 3.27Å; S10-E158 VanDerWaalsContact CB-OE2 3.29Å; S10-E158 WeakPolarHBondContact CB-OE2 3.35Å; S10-E158 PolarHBondContact OG-OE2 2.86Å
11	L	92.6	Very high	72.3	Confident	21 Å²	21	78 Å²	78	11%	0.11	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-58.3	-23.4	176.4	-63.6	179.7	0	0	0	113.1	G13 L14 L157 V159 T164 V166 M174	L11-G13 PolarHBondContact O-N 3.31Å; L11-G13 VanDerWaalsContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 2.84Å; L11-L157 HydrophobicContact CG-CB 4.27Å; L11-L157 WeakPolarHBondContact CG-O 3.5Å; L11-L157 PolarHBondContact N-O 3.15Å; L11-V159 HydrophobicContact CD1-CG2 3.92Å; L11-T164 HydrophobicContact CD1-CG2 4.32Å; L11-V166 HydrophobicContact CD1-CG2 4.22Å; L11-V166 HydrophobicContact CD2-CG1 4.04Å; L11-V166 HydrophobicContact CD2-CG2 3.85Å; L11-M174 HydrophobicContact CD2-SD 3.85Å
12	S	92.2	Very high	75.4	Confident	70 Å²	70	68 Å²	68	49%	0.49	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-54.4	-27.5	173.4	-64.1	0	0	0	0	113.1	S10 L14 E158	S10-S12 PolarHBondContact O-N 2.88Å; S10-S12 VanDerWaalsContact O-N 3.1Å; S10-S12 WeakPolarHBondContact OG-CB 3.19Å; S10-S12 PolarHBondContact OG-N 3.49Å; S10-S12 PolarHBondContact OG-OG 3.37Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.2Å; S12-E158 PolarHBondContact OG-OE2 3.46Å
13	G	92.4	Very high	78.7	Confident	13 Å²	13	70.9 Å²	70.9	13%	0.134	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-68.5	-27.6	176.9	0	0	0	0	0	114.3	S10 L11 L52	S10-G13 PolarHBondContact O-N 3.27Å; L11-G13 PolarHBondContact O-N 3.31Å; L11-G13 VanDerWaalsContact O-N 3.09Å; G13-L52 VanDerWaalsContact C-CD1 3.47Å
14	L	93.9	Very high	82	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-31.2	178.9	-66.6	177.4	0	0	0	112.6	L11 S12 A17 Q18 W48 L52 M174	L11-L14 PolarHBondContact O-N 2.84Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.2Å; L14-A17 PolarHBondContact O-N 2.9Å; L14-Q18 PolarHBondContact O-N 2.05Å; L14-W48 HydrophobicContact CD2-CH2 4.27Å; L14-W48 HydrophobicContact CD2-CZ3 4.17Å; L14-L52 HydrophobicContact CD2-CD1 3.78Å; L14-L52 HydrophobicContact CG-CD1 3.9Å; L14-M174 HydrophobicContact CD1-CB 4.01Å
15	L	93.4	Very high	84.9	Confident	103 Å²	103	62.1 Å²	62.1	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-51.6	-48.8	-165.5	-174.6	69.4	0	0	0	114	A17 T19	L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 2.97Å; L15-T19 HydrophobicContact CD1-CG2 3.78Å; L15-T19 HydrophobicContact CG-CG2 4.35Å; L15-T19 WeakPolarHBondContact O-CB 3.12Å; L15-T19 VanDerWaalsContact O-CG2 3.28Å; L15-T19 WeakPolarHBondContact O-CG2 3.4Å; L15-T19 PolarHBondContact O-N 2.97Å; L15-T19 PolarHBondContact O-OG1 3.01Å
16	P	95.2	Very high	87.8	Confident	94 Å²	94	65.1 Å²	65.1	61%	0.61	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-33.9	-178.9	-20	33.6	0	0	0	113.5	T19	P16-T19 PolarHBondContact O-OG1 3.08Å
17	A	95.3	Very high	90.7	Very high	14 Å²	14	65 Å²	65	12%	0.116	35%	0.347	C	S	.	.	H	α-helix	trans	-78.8	-44.5	-178.4	0	0	0	0	0	111.2	L14 L15 S20 L21 Y41 W48	L14-A17 PolarHBondContact O-N 2.9Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 2.97Å; A17-S20 PolarHBondContact O-N 2.91Å; A17-L21 PolarHBondContact O-N 2.85Å; A17-Y41 HydrophobicContact CB-CE2 3.84Å; A17-W48 HydrophobicContact CB-CH2 4.34Å; A17-W48 HydrophobicContact CB-CZ2 4.09Å
18	Q	97.5	Very high	92.8	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-44	-177.9	-175.4	178.4	-29.4	0	0	111.5	L14 S20 L21 E22 Y41 F176 S177	L14-Q18 PolarHBondContact O-N 2.05Å; Q18-S20 PolarHBondContact O-N 2.94Å; Q18-L21 WeakPolarHBondContact O-CA 3.38Å; Q18-L21 WeakPolarHBondContact O-CB 3.42Å; Q18-L21 PolarHBondContact O-N 3.18Å; Q18-E22 HydrophobicContact CG-CG 4.38Å; Q18-E22 PolarHBondContact NE2-OE1 3.15Å; Q18-E22 WeakPolarHBondContact O-CG 3.26Å; Q18-E22 PolarHBondContact O-N 2.91Å; Q18-Y41 HydrophobicContact CB-CE2 4.44Å; Q18-F176 HydrophobicContact CG-CD1 4.44Å; Q18-S177 PolarHBondContact NE2-O 2.89Å
19	T	96.1	Very high	94.6	Very high	63 Å²	63	62.2 Å²	62.2	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-33.1	177.4	52.1	0	0	0	0	112.4	L15 P16 E22 Y23	L15-T19 HydrophobicContact CD1-CG2 3.78Å; L15-T19 HydrophobicContact CG-CG2 4.35Å; L15-T19 WeakPolarHBondContact O-CB 3.12Å; L15-T19 VanDerWaalsContact O-CG2 3.28Å; L15-T19 WeakPolarHBondContact O-CG2 3.4Å; L15-T19 PolarHBondContact O-N 2.97Å; L15-T19 PolarHBondContact O-OG1 3.01Å; P16-T19 PolarHBondContact O-OG1 3.08Å; T19-E22 PolarHBondContact O-N 3.41Å; T19-Y23 WeakPolarHBondContact O-CB 3.3Å; T19-Y23 PolarHBondContact O-N 2.91Å
20	S	97.4	Very high	95.4	Very high	78 Å²	78	56.6 Å²	56.6	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-37.9	172.6	-175.6	0	0	0	0	112.7	A17 Q18 A24	A17-S20 PolarHBondContact O-N 2.91Å; Q18-S20 PolarHBondContact O-N 2.94Å; S20-A24 PolarHBondContact O-N 3.45Å
21	L	98.1	Very high	95.7	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-47.5	171.8	167.2	67	0	0	0	110.2	A17 Q18 Y23 A24 L25 L37 V38 Y41 F176 Y190	A17-L21 PolarHBondContact O-N 2.85Å; Q18-L21 WeakPolarHBondContact O-CA 3.38Å; Q18-L21 WeakPolarHBondContact O-CB 3.42Å; Q18-L21 PolarHBondContact O-N 3.18Å; L21-Y23 VanDerWaalsContact C-N 3.3Å; L21-Y23 PolarHBondContact O-N 3.46Å; L21-A24 CarbonylContact O-C 3.59Å; L21-A24 WeakPolarHBondContact O-CA 3.4Å; L21-A24 WeakPolarHBondContact O-CB 3.19Å; L21-A24 PolarHBondContact O-N 3.33Å; L21-L25 HydrophobicContact CD1-CD1 4.19Å; L21-L25 HydrophobicContact CD1-CD2 4.36Å; L21-L25 HydrophobicContact CD1-CG 4.04Å; L21-L25 HydrophobicContact CD2-CD1 4.45Å; L21-L25 HydrophobicContact CG-CD1 3.94Å; L21-L25 HydrophobicContact CG-CG 4.22Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.7Å; L21-L37 HydrophobicContact CD1-CB 3.86Å; L21-V38 HydrophobicContact CD1-CG2 4.29Å; L21-V38 HydrophobicContact CD2-CG2 4.25Å; L21-Y41 HydrophobicContact CB-CD2 3.93Å; L21-Y41 HydrophobicContact CB-CG 4.45Å; L21-Y41 HydrophobicContact CD2-CD1 4.11Å; L21-Y41 HydrophobicContact CD2-CD2 3.93Å; L21-Y41 HydrophobicContact CD2-CG 3.69Å; L21-Y41 HydrophobicContact CG-CD2 4.48Å; L21-F176 HydrophobicContact CD2-CE1 3.89Å; L21-Y190 HydrophobicContact CD2-CE1 4.43Å
22	E	96.6	Very high	95.9	Very high	41 Å²	41	66.5 Å²	66.5	19%	0.192	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-38.1	-178.1	-70.7	179.2	145	0	0	112.6	Q18 T19 A24 L25 L26 K186 Y190	Q18-E22 HydrophobicContact CG-CG 4.38Å; Q18-E22 PolarHBondContact NE2-OE1 3.15Å; Q18-E22 WeakPolarHBondContact O-CG 3.26Å; Q18-E22 PolarHBondContact O-N 2.91Å; T19-E22 PolarHBondContact O-N 3.41Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 2.85Å; E22-L25 PolarHBondContact O-N 2.79Å; E22-L26 WeakPolarHBondContact O-CG 3.22Å; E22-L26 PolarHBondContact O-N 3.07Å; E22-K186 IonicContact OE1-NZ 3.6Å; E22-K186 PolarHBondContact OE1-NZ 2.83Å; E22-Y190 WeakPolarHBondContact CG-OH 3.37Å; E22-Y190 PolarHBondContact OE1-OH 3.39Å
23	Y	97	Very high	96.1	Very high	161 Å²	161	67.1 Å²	67.1	63%	0.631	37%	0.366	S	S	*	.	H	α-helix	trans	-59.3	-45.2	172	-175	-91.5	0	0	0	111.4	T19 L21 L25 L26	T19-Y23 WeakPolarHBondContact O-CB 3.3Å; T19-Y23 PolarHBondContact O-N 2.91Å; L21-Y23 VanDerWaalsContact C-N 3.3Å; L21-Y23 PolarHBondContact O-N 3.46Å; Y23-L25 VanDerWaalsContact C-N 3.33Å; Y23-L25 PolarHBondContact O-N 2.89Å; Y23-L26 PolarHBondContact O-N 3.24Å
24	A	97.4	Very high	96.4	Very high	30 Å²	30	69.6 Å²	69.6	25%	0.248	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-33.6	176.1	0	0	0	0	0	112.8	S20 L21 E22 L26 D27 A28 L37	S20-A24 PolarHBondContact O-N 3.45Å; L21-A24 CarbonylContact O-C 3.59Å; L21-A24 WeakPolarHBondContact O-CA 3.4Å; L21-A24 WeakPolarHBondContact O-CB 3.19Å; L21-A24 PolarHBondContact O-N 3.33Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 2.85Å; A24-L26 VanDerWaalsContact C-N 3.26Å; A24-L26 PolarHBondContact O-N 3.43Å; A24-D27 PolarHBondContact O-N 3.4Å; A24-A28 PolarHBondContact O-N 3.48Å; A24-A28 VanDerWaalsContact O-N 3.1Å; A24-L37 HydrophobicContact CB-CD1 4.05Å; A24-L37 HydrophobicContact CB-CD2 4.3Å
25	L	97.2	Very high	96.6	Very high	17 Å²	17	72 Å²	72	9%	0.089	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-24.3	177.2	-70.2	175.2	0	0	0	113.3	L21 E22 Y23 K34 L37 V38 L189 Y190	L21-L25 HydrophobicContact CD1-CD1 4.19Å; L21-L25 HydrophobicContact CD1-CD2 4.36Å; L21-L25 HydrophobicContact CD1-CG 4.04Å; L21-L25 HydrophobicContact CD2-CD1 4.45Å; L21-L25 HydrophobicContact CG-CD1 3.94Å; L21-L25 HydrophobicContact CG-CG 4.22Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.7Å; E22-L25 PolarHBondContact O-N 2.79Å; Y23-L25 VanDerWaalsContact C-N 3.33Å; Y23-L25 PolarHBondContact O-N 2.89Å; L25-K34 HydrophobicContact CD2-CB 3.71Å; L25-K34 HydrophobicContact CD2-CG 3.78Å; L25-K34 WeakPolarHBondContact O-CE 3.22Å; L25-L37 HydrophobicContact CD2-CB 4.27Å; L25-L37 HydrophobicContact CD2-CD1 4.25Å; L25-V38 HydrophobicContact CD1-CG2 4.3Å; L25-V38 HydrophobicContact CD2-CG2 4.17Å; L25-L189 HydrophobicContact CD1-CD2 4.35Å; L25-L189 HydrophobicContact CD2-CD2 4.4Å; L25-Y190 HydrophobicContact CD1-CE1 3.88Å
26	L	95.8	Very high	96.9	Very high	146 Å²	146	70.1 Å²	70.1	76%	0.764	38%	0.381	S	S	*	.	H	α-helix	trans	-71.7	-34.4	173.9	-68.7	172.2	0	0	0	112.1	E22 Y23 A24	E22-L26 WeakPolarHBondContact O-CG 3.22Å; E22-L26 PolarHBondContact O-N 3.07Å; Y23-L26 PolarHBondContact O-N 3.24Å; A24-L26 VanDerWaalsContact C-N 3.26Å; A24-L26 PolarHBondContact O-N 3.43Å
27	D	96.5	Very high	97	Very high	109 Å²	109	67.6 Å²	67.6	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-83.4	-19.1	178.5	-69	-26.8	0	0	0	112.6	A24 V29	A24-D27 PolarHBondContact O-N 3.4Å; D27-V29 PolarHBondContact O-N 3.4Å
28	A	96.2	Very high	97.2	Very high	8 Å²	8	66.9 Å²	66.9	7%	0.066	36%	0.357	C	S	.	.			trans	-69.6	118.7	-179.2	0	0	0	0	0	112.3	A24 E33 K34 L37	A24-A28 PolarHBondContact O-N 3.48Å; A24-A28 VanDerWaalsContact O-N 3.1Å; A28-E33 WeakPolarHBondContact CA-OE2 3.35Å; A28-E33 HydrophobicContact CB-CB 4.28Å; A28-E33 HydrophobicContact CB-CG 3.82Å; A28-K34 HydrophobicContact CB-CG 3.64Å; A28-K34 WeakPolarHBondContact O-CE 3.21Å; A28-L37 HydrophobicContact CB-CD1 3.99Å
29	V	95.3	Very high	97.2	Very high	134 Å²	134	69.2 Å²	69.2	81%	0.812	37%	0.365	S	S	*	.			trans	-89.5	-23.7	-173.6	-68.2	0	0	0	0	113.4	D27 E33	D27-V29 PolarHBondContact O-N 3.4Å; V29-E33 PolarHBondContact N-OE2 2.82Å; V29-E33 VanDerWaalsContact N-OE2 3.08Å
30	T	96.8	Very high	97.3	Very high	64 Å²	64	71.5 Å²	71.5	39%	0.393	37%	0.372	S	S	.	.	S	Bend	trans	-114.9	153.4	-179.3	66.5	0	0	0	0	112.1	Q32 E33 K34	T30-Q32 VanDerWaalsContact C-N 3.31Å; T30-Q32 PolarHBondContact O-N 3.23Å; T30-E33 PolarHBondContact O-N 2.79Å; T30-E33 VanDerWaalsContact OG1-CB 3.25Å; T30-E33 WeakPolarHBondContact OG1-CB 3.31Å; T30-E33 PolarHBondContact OG1-N 3.31Å; T30-K34 PolarHBondContact O-N 2.99Å
31	Q	96.3	Very high	97.4	Very high	100 Å²	100	68.5 Å²	68.5	47%	0.467	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-38.4	175.3	-172.2	58.7	45.6	0	0	111.7	E33 K34 D35	Q31-E33 VanDerWaalsContact C-N 3.29Å; Q31-E33 PolarHBondContact O-N 2.8Å; Q31-K34 WeakPolarHBondContact O-CB 3.39Å; Q31-K34 PolarHBondContact O-N 2.84Å; Q31-K34 VanDerWaalsContact O-N 3.17Å; Q31-D35 PolarHBondContact NE2-OD1 2.91Å; Q31-D35 PolarHBondContact O-N 2.7Å
32	Q	97.1	Very high	97.4	Very high	133 Å²	133	68 Å²	68	62%	0.621	35%	0.346	S	S	*	.	H	α-helix	trans	-64.1	-34.8	179.3	-65.8	81.6	-2.9	0	0	112.5	T30 S36	T30-Q32 VanDerWaalsContact C-N 3.31Å; T30-Q32 PolarHBondContact O-N 3.23Å; Q32-S36 WeakPolarHBondContact O-CB 3.47Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.13Å
33	E	97.6	Very high	97.4	Very high	83 Å²	83	70.3 Å²	70.3	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-45.1	173.9	-176.7	174.6	-158.1	0	0	110.8	A28 V29 T30 Q31 D35 S36 L37	A28-E33 WeakPolarHBondContact CA-OE2 3.35Å; A28-E33 HydrophobicContact CB-CB 4.28Å; A28-E33 HydrophobicContact CB-CG 3.82Å; V29-E33 PolarHBondContact N-OE2 2.82Å; V29-E33 VanDerWaalsContact N-OE2 3.08Å; T30-E33 PolarHBondContact O-N 2.79Å; T30-E33 VanDerWaalsContact OG1-CB 3.25Å; T30-E33 WeakPolarHBondContact OG1-CB 3.31Å; T30-E33 PolarHBondContact OG1-N 3.31Å; Q31-E33 VanDerWaalsContact C-N 3.29Å; Q31-E33 PolarHBondContact O-N 2.8Å; E33-D35 PolarHBondContact O-N 2.92Å; E33-S36 PolarHBondContact O-N 2.84Å; E33-L37 HydrophobicContact CG-CD1 4.22Å; E33-L37 VanDerWaalsContact O-CG 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.11Å; E33-L37 PolarHBondContact O-N 2.78Å
34	K	98.1	Very high	97.4	Very high	65 Å²	65	68.8 Å²	68.8	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-49.1	174	-66.7	-176.9	178.3	-175.7	0	111.7	L25 A28 T30 Q31 S36 L37 V38 L189	L25-K34 HydrophobicContact CD2-CB 3.71Å; L25-K34 HydrophobicContact CD2-CG 3.78Å; L25-K34 WeakPolarHBondContact O-CE 3.22Å; A28-K34 HydrophobicContact CB-CG 3.64Å; A28-K34 WeakPolarHBondContact O-CE 3.21Å; T30-K34 PolarHBondContact O-N 2.99Å; Q31-K34 WeakPolarHBondContact O-CB 3.39Å; Q31-K34 PolarHBondContact O-N 2.84Å; Q31-K34 VanDerWaalsContact O-N 3.17Å; K34-S36 VanDerWaalsContact C-N 3.29Å; K34-S36 PolarHBondContact O-N 2.88Å; K34-L37 PolarHBondContact O-N 2.91Å; K34-V38 VanDerWaalsContact O-CG2 3.32Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 3.33Å; K34-L189 HydrophobicContact CB-CD2 4.31Å
35	D	98.4	Very high	97.3	Very high	51 Å²	51	67.4 Å²	67.4	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-43.5	178.1	-64.4	-5.9	0	0	0	111.2	Q31 E33 V38 Y39 L189 I193	Q31-D35 PolarHBondContact NE2-OD1 2.91Å; Q31-D35 PolarHBondContact O-N 2.7Å; E33-D35 PolarHBondContact O-N 2.92Å; D35-V38 PolarHBondContact O-N 2.98Å; D35-Y39 WeakPolarHBondContact O-CB 3.4Å; D35-Y39 PolarHBondContact O-N 2.91Å; D35-L189 VanDerWaalsContact OD1-CD1 3.29Å; D35-L189 WeakPolarHBondContact OD1-CD1 3.49Å; D35-I193 HydrophobicContact CB-CD1 3.74Å
36	S	98.2	Very high	97.2	Very high	63 Å²	63	67.4 Å²	67.4	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-41.8	179.1	-60.5	0	0	0	0	112.5	Q32 E33 K34 Y39 Q40	Q32-S36 WeakPolarHBondContact O-CB 3.47Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.13Å; E33-S36 PolarHBondContact O-N 2.84Å; K34-S36 VanDerWaalsContact C-N 3.29Å; K34-S36 PolarHBondContact O-N 2.88Å; S36-Y39 PolarHBondContact O-N 2.81Å; S36-Q40 VanDerWaalsContact O-CG 3.29Å; S36-Q40 WeakPolarHBondContact O-CG 3.21Å; S36-Q40 PolarHBondContact O-N 2.84Å
37	L	98.6	Very high	97	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-44	177	-74.3	168.4	0	0	0	111.4	L21 A24 L25 A28 E33 K34 Q40 Y41	L21-L37 HydrophobicContact CD1-CB 3.86Å; A24-L37 HydrophobicContact CB-CD1 4.05Å; A24-L37 HydrophobicContact CB-CD2 4.3Å; L25-L37 HydrophobicContact CD2-CB 4.27Å; L25-L37 HydrophobicContact CD2-CD1 4.25Å; A28-L37 HydrophobicContact CB-CD1 3.99Å; E33-L37 HydrophobicContact CG-CD1 4.22Å; E33-L37 VanDerWaalsContact O-CG 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.11Å; E33-L37 PolarHBondContact O-N 2.78Å; K34-L37 PolarHBondContact O-N 2.91Å; L37-Q40 PolarHBondContact O-N 2.79Å; L37-Y41 PolarHBondContact O-N 2.98Å
38	V	98.6	Very high	96.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.5	179.7	0	0	0	0	110.7	L21 L25 K34 D35 Q40 Y41 L42 F176 L189 Y190 I193	L21-V38 HydrophobicContact CD1-CG2 4.29Å; L21-V38 HydrophobicContact CD2-CG2 4.25Å; L25-V38 HydrophobicContact CD1-CG2 4.3Å; L25-V38 HydrophobicContact CD2-CG2 4.17Å; K34-V38 VanDerWaalsContact O-CG2 3.32Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 3.33Å; D35-V38 PolarHBondContact O-N 2.98Å; V38-Q40 PolarHBondContact O-N 3.36Å; V38-Y41 WeakPolarHBondContact O-CB 3.46Å; V38-Y41 PolarHBondContact O-N 3.06Å; V38-L42 WeakPolarHBondContact O-CG 3.49Å; V38-L42 PolarHBondContact O-N 3.24Å; V38-F176 HydrophobicContact CG1-CZ 3.92Å; V38-L189 HydrophobicContact CG2-CD1 4.36Å; V38-L189 HydrophobicContact CG2-CD2 3.97Å; V38-L189 HydrophobicContact CG2-CG 4Å; V38-Y190 HydrophobicContact CG1-CD1 4.16Å; V38-Y190 HydrophobicContact CG2-CD1 4.11Å; V38-Y190 HydrophobicContact CG2-CE1 4.1Å; V38-I193 HydrophobicContact CB-CB 4.33Å; V38-I193 HydrophobicContact CB-CG1 4.45Å; V38-I193 HydrophobicContact CB-CG2 3.99Å; V38-I193 HydrophobicContact CG1-CB 3.78Å; V38-I193 HydrophobicContact CG1-CG1 4.32Å; V38-I193 HydrophobicContact CG1-CG2 3.66Å
39	Y	98.6	Very high	96.5	Very high	56 Å²	56	71.2 Å²	71.2	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-41.9	175.9	-163.4	-80.1	0	0	0	112.1	D35 S36 Y41 L42 Q43 I193 K196 Y197	D35-Y39 WeakPolarHBondContact O-CB 3.4Å; D35-Y39 PolarHBondContact O-N 2.91Å; S36-Y39 PolarHBondContact O-N 2.81Å; Y39-Y41 VanDerWaalsContact C-N 3.35Å; Y39-L42 PolarHBondContact O-N 2.99Å; Y39-Q43 HydrophobicContact CD1-CG 4.11Å; Y39-Q43 HydrophobicContact CE1-CG 4.1Å; Y39-Q43 WeakPolarHBondContact O-CG 3.3Å; Y39-Q43 PolarHBondContact O-N 2.88Å; Y39-I193 HydrophobicContact CD2-CG2 4.24Å; Y39-K196 HydrophobicContact CE2-CG 4.47Å; Y39-Y197 HydrophobicContact CD1-CD2 4.15Å; Y39-Y197 HydrophobicContact CD2-CD2 4.19Å; Y39-Y197 AromaticContact CE1-CD2 3.75Å; Y39-Y197 HydrophobicContact CE1-CD2 3.75Å; Y39-Y197 HydrophobicContact CE1-CE2 4.16Å; Y39-Y197 AromaticContact CE2-CD2 3.81Å; Y39-Y197 HydrophobicContact CE2-CD2 3.81Å; Y39-Y197 HydrophobicContact CE2-CG 4.37Å; Y39-Y197 HydrophobicContact CG-CD2 4.35Å; Y39-Y197 AromaticContact CZ-CD2 3.56Å
40	Q	98.3	Very high	96.3	Very high	112 Å²	112	71.1 Å²	71.1	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-37.6	175	-73	172.8	20.4	0	0	112.3	S36 L37 V38 L42 Q43 K44	S36-Q40 VanDerWaalsContact O-CG 3.29Å; S36-Q40 WeakPolarHBondContact O-CG 3.21Å; S36-Q40 PolarHBondContact O-N 2.84Å; L37-Q40 PolarHBondContact O-N 2.79Å; V38-Q40 PolarHBondContact O-N 3.36Å; Q40-L42 VanDerWaalsContact C-N 3.35Å; Q40-Q43 WeakPolarHBondContact O-CB 3.28Å; Q40-Q43 PolarHBondContact O-N 3.22Å; Q40-K44 PolarHBondContact O-N 3.49Å; Q40-K44 VanDerWaalsContact O-N 3.12Å
41	Y	98.6	Very high	96.1	Very high	15 Å²	15	70.1 Å²	70.1	6%	0.059	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-47.5	171.8	171.9	-88.6	0	0	0	111.1	A17 Q18 L21 L37 V38 Y39 Q43 K44 V45 L175 F176	A17-Y41 HydrophobicContact CB-CE2 3.84Å; Q18-Y41 HydrophobicContact CB-CE2 4.44Å; L21-Y41 HydrophobicContact CB-CD2 3.93Å; L21-Y41 HydrophobicContact CB-CG 4.45Å; L21-Y41 HydrophobicContact CD2-CD1 4.11Å; L21-Y41 HydrophobicContact CD2-CD2 3.93Å; L21-Y41 HydrophobicContact CD2-CG 3.69Å; L21-Y41 HydrophobicContact CG-CD2 4.48Å; L37-Y41 PolarHBondContact O-N 2.98Å; V38-Y41 WeakPolarHBondContact O-CB 3.46Å; V38-Y41 PolarHBondContact O-N 3.06Å; Y39-Y41 VanDerWaalsContact C-N 3.35Å; Y41-Q43 PolarHBondContact O-N 2.82Å; Y41-K44 WeakPolarHBondContact O-CB 3.43Å; Y41-K44 PolarHBondContact O-N 2.96Å; Y41-V45 HydrophobicContact CD1-CG2 4.06Å; Y41-V45 HydrophobicContact CD2-CG2 4.31Å; Y41-V45 HydrophobicContact CE1-CB 4.38Å; Y41-V45 HydrophobicContact CE1-CG2 3.55Å; Y41-V45 HydrophobicContact CE2-CG2 3.85Å; Y41-V45 HydrophobicContact CG-CG2 4.4Å; Y41-V45 VanDerWaalsContact CZ-CG2 3.45Å; Y41-V45 WeakPolarHBondContact O-CG2 3.03Å; Y41-V45 PolarHBondContact O-N 3.34Å; Y41-L175 WeakPolarHBondContact CE1-O 3.5Å; Y41-L175 PolarHBondContact OH-O 2.75Å; Y41-F176 HydrophobicContact CD1-CD1 4.33Å; Y41-F176 AromaticContact CD1-CE1 3.33Å; Y41-F176 HydrophobicContact CD1-CE1 3.33Å; Y41-F176 AromaticContact CD1-CZ 3.57Å; Y41-F176 HydrophobicContact CD1-CZ 3.57Å; Y41-F176 AromaticContact CE1-CD1 3.72Å; Y41-F176 HydrophobicContact CE1-CD1 3.72Å; Y41-F176 AromaticContact CE1-CE1 3.15Å; Y41-F176 HydrophobicContact CE1-CE1 3.15Å; Y41-F176 AromaticContact CE1-CZ 3.62Å; Y41-F176 HydrophobicContact CE1-CZ 3.62Å; Y41-F176 HydrophobicContact CG-CE1 4.29Å; Y41-F176 AromaticContact CZ-CE1 3.98Å
42	L	98.4	Very high	96.1	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-40.7	177.6	-70.3	172.2	0	0	0	112.2	V38 Y39 Q40 K44 V45 D46 L175 F176 I193 A194 Y197	V38-L42 WeakPolarHBondContact O-CG 3.49Å; V38-L42 PolarHBondContact O-N 3.24Å; Y39-L42 PolarHBondContact O-N 2.99Å; Q40-L42 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 2.73Å; L42-V45 PolarHBondContact O-N 3.45Å; L42-D46 WeakPolarHBondContact O-CB 3.4Å; L42-D46 PolarHBondContact O-N 3.17Å; L42-L175 HydrophobicContact CD2-CB 4.37Å; L42-L175 HydrophobicContact CD2-CD1 4.03Å; L42-L175 HydrophobicContact CD2-CD2 4.02Å; L42-L175 HydrophobicContact CD2-CG 4.38Å; L42-F176 HydrophobicContact CD2-CE2 3.77Å; L42-F176 HydrophobicContact CD2-CZ 3.8Å; L42-F176 HydrophobicContact CG-CE2 4.49Å; L42-F176 HydrophobicContact CG-CZ 4.17Å; L42-I193 HydrophobicContact CD1-CG2 3.95Å; L42-A194 HydrophobicContact CD1-CB 4.28Å; L42-Y197 HydrophobicContact CB-CD1 4.12Å; L42-Y197 HydrophobicContact CB-CD2 3.97Å; L42-Y197 HydrophobicContact CB-CE1 4.37Å; L42-Y197 HydrophobicContact CB-CE2 4.24Å; L42-Y197 HydrophobicContact CB-CG 3.92Å; L42-Y197 HydrophobicContact CD1-CD1 4.48Å; L42-Y197 HydrophobicContact CD1-CG 4.04Å
43	Q	97.3	Very high	96	Very high	89 Å²	89	61.7 Å²	61.7	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-54.6	-41	172.1	-73.6	174.9	-25.9	0	0	112	Y39 Q40 Y41 C47 Y197	Y39-Q43 HydrophobicContact CD1-CG 4.11Å; Y39-Q43 HydrophobicContact CE1-CG 4.1Å; Y39-Q43 WeakPolarHBondContact O-CG 3.3Å; Y39-Q43 PolarHBondContact O-N 2.88Å; Q40-Q43 WeakPolarHBondContact O-CB 3.28Å; Q40-Q43 PolarHBondContact O-N 3.22Å; Y41-Q43 PolarHBondContact O-N 2.82Å; Q43-C47 WeakPolarHBondContact O-CB 3.48Å; Q43-C47 PolarHBondContact O-N 3.36Å; Q43-C47 PolarHBondContact O-SG 3.46Å; Q43-Y197 HydrophobicContact CB-CE2 4.39Å; Q43-Y197 HydrophobicContact CG-CD2 4.47Å; Q43-Y197 HydrophobicContact CG-CE2 3.65Å
44	K	95.9	Very high	96	Very high	129 Å²	129	57.9 Å²	57.9	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-71.9	-45.8	179.9	-177.5	-177.7	177.4	-177.2	0	112.3	Q40 Y41 L42 W48	Q40-K44 PolarHBondContact O-N 3.49Å; Q40-K44 VanDerWaalsContact O-N 3.12Å; Y41-K44 WeakPolarHBondContact O-CB 3.43Å; Y41-K44 PolarHBondContact O-N 2.96Å; L42-K44 PolarHBondContact O-N 2.73Å; K44-W48 VanDerWaalsContact O-CD1 3.23Å; K44-W48 PolarHBondContact O-NE1 2.68Å
45	V	95.8	Very high	95.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-41.2	-176.8	173	0	0	0	0	111.4	Y41 L42 C47 W48 L175	Y41-V45 HydrophobicContact CD1-CG2 4.06Å; Y41-V45 HydrophobicContact CD2-CG2 4.31Å; Y41-V45 HydrophobicContact CE1-CB 4.38Å; Y41-V45 HydrophobicContact CE1-CG2 3.55Å; Y41-V45 HydrophobicContact CE2-CG2 3.85Å; Y41-V45 HydrophobicContact CG-CG2 4.4Å; Y41-V45 VanDerWaalsContact CZ-CG2 3.45Å; Y41-V45 WeakPolarHBondContact O-CG2 3.03Å; Y41-V45 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 3.45Å; V45-C47 PolarHBondContact O-N 3.16Å; V45-W48 HydrophobicContact CG1-CD2 4.49Å; V45-W48 HydrophobicContact CG1-CE3 4.04Å; V45-W48 HydrophobicContact CG1-CH2 4.36Å; V45-W48 HydrophobicContact CG1-CZ3 3.96Å; V45-W48 HydrophobicContact CG2-CH2 3.99Å; V45-W48 HydrophobicContact CG2-CZ2 3.91Å; V45-W48 HydrophobicContact CG2-CZ3 4.41Å; V45-W48 WeakPolarHBondContact O-CB 3.07Å; V45-W48 PolarHBondContact O-N 3.16Å; V45-L175 HydrophobicContact CG1-CD2 4.23Å
46	D	95.4	Very high	95.8	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-21.8	178.6	-172.7	54.5	0	0	0	113.2	L42 R171 Y197 Y198 R201	L42-D46 WeakPolarHBondContact O-CB 3.4Å; L42-D46 PolarHBondContact O-N 3.17Å; D46-R171 PolarHBondContact O-NH2 3.45Å; D46-R171 IonicContact OD1-CZ 3.45Å; D46-R171 IonicContact OD1-NH1 2.92Å; D46-R171 PolarHBondContact OD1-NH1 3.2Å; D46-R171 IonicContact OD1-NH2 3.9Å; D46-R171 PolarHBondContact OD1-NH2 3.23Å; D46-Y197 HydrophobicContact CB-CE1 3.79Å; D46-Y197 VanDerWaalsContact CB-OH 3.32Å; D46-Y197 WeakPolarHBondContact CB-OH 3.29Å; D46-Y197 WeakPolarHBondContact OD2-CE1 3.49Å; D46-Y197 PolarHBondContact OD2-OH 2.98Å; D46-Y198 VanDerWaalsContact OD1-CE1 3.27Å; D46-Y198 WeakPolarHBondContact OD1-CE1 3.31Å; D46-Y198 PolarHBondContact OD1-OH 3.35Å; D46-R201 IonicContact OD2-CZ 2.73Å; D46-R201 IonicContact OD2-NE 4Å; D46-R201 IonicContact OD2-NH2 3.59Å
47	C	91.8	Very high	95.8	Very high	88 Å²	88	53.8 Å²	53.8	60%	0.595	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	12.3	176.1	-68.2	0	0	0	0	113.8	Q43 V45	Q43-C47 WeakPolarHBondContact O-CB 3.48Å; Q43-C47 PolarHBondContact O-N 3.36Å; Q43-C47 PolarHBondContact O-SG 3.46Å; V45-C47 PolarHBondContact O-N 3.16Å
48	W	92.3	Very high	95.7	Very high	45 Å²	45	54.2 Å²	54.2	17%	0.17	27%	0.269	C	S	.	.			trans	-64.4	135.3	170.3	-75.5	-10.6	0	0	0	110.8	L14 A17 K44 V45 Q50 L52	L14-W48 HydrophobicContact CD2-CH2 4.27Å; L14-W48 HydrophobicContact CD2-CZ3 4.17Å; A17-W48 HydrophobicContact CB-CH2 4.34Å; A17-W48 HydrophobicContact CB-CZ2 4.09Å; K44-W48 VanDerWaalsContact O-CD1 3.23Å; K44-W48 PolarHBondContact O-NE1 2.68Å; V45-W48 HydrophobicContact CG1-CD2 4.49Å; V45-W48 HydrophobicContact CG1-CE3 4.04Å; V45-W48 HydrophobicContact CG1-CH2 4.36Å; V45-W48 HydrophobicContact CG1-CZ3 3.96Å; V45-W48 HydrophobicContact CG2-CH2 3.99Å; V45-W48 HydrophobicContact CG2-CZ2 3.91Å; V45-W48 HydrophobicContact CG2-CZ3 4.41Å; V45-W48 WeakPolarHBondContact O-CB 3.07Å; V45-W48 PolarHBondContact O-N 3.16Å; W48-Q50 PolarHBondContact O-N 3.29Å; W48-L52 HydrophobicContact CE3-CG 4.34Å; W48-L52 HydrophobicContact CH2-CD1 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 HydrophobicContact CZ3-CG 3.96Å
49	E	88.6	Confident	95.5	Very high	211 Å²	211	62 Å²	62	99%	0.986	31%	0.306	S	S	*	.	S	Bend	trans	-60.6	-28.5	178.1	-67.3	-177.6	177.6	0	0	112.4
50	Q	91.6	Very high	95.3	Very high	131 Å²	131	63 Å²	63	61%	0.612	33%	0.332	S	S	*	.	S	Bend	trans	-127.7	113.5	175.7	-172.1	173	24	0	0	109.2	W48	W48-Q50 PolarHBondContact O-N 3.29Å
51	D	93.6	Very high	95.2	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.23	32%	0.317	C	S	.	.			trans	-63	145.8	173.5	-76.9	-35.2	0	0	0	110.5	S53 R171 N173	D51-S53 PolarHBondContact O-N 3.1Å; D51-S53 VanDerWaalsContact O-N 3.12Å; D51-R171 IonicContact OD1-CZ 3.14Å; D51-R171 IonicContact OD1-NE 3.88Å; D51-R171 IonicContact OD1-NH2 3.75Å; D51-R171 PolarHBondContact OD1-NH2 2.88Å; D51-R171 VanDerWaalsContact OD1-NH2 3.13Å; D51-R171 IonicContact OD2-CZ 3.85Å; D51-R171 IonicContact OD2-NE 2.71Å; D51-R171 PolarHBondContact OD2-NE 3.3Å; D51-R171 IonicContact OD2-NH2 3.77Å; D51-N173 HydrophobicContact CB-CB 4Å
52	L	94.8	Very high	95.2	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	34%	0.335	C	S	.	.			trans	-81.7	79.5	162	-61.7	-179.6	0	0	0	107.9	G13 L14 W48 M174	G13-L52 VanDerWaalsContact C-CD1 3.47Å; L14-L52 HydrophobicContact CD2-CD1 3.78Å; L14-L52 HydrophobicContact CG-CD1 3.9Å; W48-L52 HydrophobicContact CE3-CG 4.34Å; W48-L52 HydrophobicContact CH2-CD1 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 HydrophobicContact CZ3-CG 3.96Å; L52-M174 HydrophobicContact CB-CB 4.39Å; L52-M174 HydrophobicContact CB-CE 3.85Å; L52-M174 WeakPolarHBondContact O-CG 3.49Å; L52-M174 PolarHBondContact O-N 2.89Å
53	S	95.9	Very high	95.1	Very high	48 Å²	48	64.9 Å²	64.9	34%	0.336	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-68.9	133	179.1	-57.6	0	0	0	0	110.9	D51 Y73 G172	D51-S53 PolarHBondContact O-N 3.1Å; D51-S53 VanDerWaalsContact O-N 3.12Å; S53-Y73 WeakPolarHBondContact CB-OH 3.29Å; S53-G172 WeakPolarHBondContact CA-O 3.19Å
54	V	96.8	Very high	95.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.012	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67.7	144.7	172	71.5	0	0	0	0	110.2	V72 Y73 L83 L157 L168 G172 M174	V54-V72 HydrophobicContact CG1-CB 4.44Å; V54-V72 HydrophobicContact CG1-CG1 3.78Å; V54-V72 HydrophobicContact CG1-CG2 4.18Å; V54-Y73 PolarHBondContact O-OH 2.88Å; V54-L83 HydrophobicContact CG2-CD1 3.89Å; V54-L157 HydrophobicContact CG2-CD1 4.2Å; V54-L168 HydrophobicContact CB-CD1 4.29Å; V54-L168 HydrophobicContact CB-CD2 4.1Å; V54-L168 HydrophobicContact CG1-CD1 3.85Å; V54-L168 HydrophobicContact CG1-CD2 4.45Å; V54-L168 HydrophobicContact CG2-CD1 4.44Å; V54-L168 HydrophobicContact CG2-CD2 4.39Å; V54-G172 PolarHBondContact N-O 3.34Å; V54-M174 HydrophobicContact CB-CG 4.26Å
55	P	96.6	Very high	95.1	Very high	23 Å²	23	55.6 Å²	55.6	15%	0.149	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-59.9	153.2	168	-19.5	31.6	0	0	0	111.1	L153 E156 L157	P55-L153 HydrophobicContact CB-CD1 3.82Å; P55-L153 HydrophobicContact CG-CD1 4.42Å; P55-E156 VanDerWaalsContact CB-OE2 3.25Å; P55-E156 WeakPolarHBondContact CB-OE2 3.11Å; P55-E156 HydrophobicContact CG-CB 3.97Å; P55-E156 WeakPolarHBondContact CG-OE2 3.19Å; P55-L157 HydrophobicContact CG-CD2 4.36Å
56	E	97.3	Very high	95	Very high	59 Å²	59	56.4 Å²	56.4	28%	0.276	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-72.6	153	172.3	-176.6	57.8	-77.3	0	0	110	S71 V72 Y73	E56-S71 WeakPolarHBondContact OE2-CB 3.34Å; E56-S71 PolarHBondContact OE2-OG 3.35Å; E56-V72 PolarHBondContact OE1-N 2.88Å; E56-V72 PolarHBondContact OE2-N 2.87Å; E56-Y73 HydrophobicContact CB-CD2 4.19Å; E56-Y73 HydrophobicContact CB-CE2 4.25Å; E56-Y73 HydrophobicContact CG-CD2 4.48Å; E56-Y73 WeakPolarHBondContact OE2-CD2 3.44Å; E56-Y73 PolarHBondContact OE2-N 2.98Å
57	F	97.4	Very high	94.9	Very high	12 Å²	12	61.9 Å²	61.9	5%	0.053	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.2	131.2	170	-65.6	-66.8	0	0	0	109.9	E59 W63 I70 V72 L76 L83 I116 V118 V146 L153	F57-E59 PolarHBondContact O-N 3.12Å; F57-W63 HydrophobicContact CB-CZ2 4.29Å; F57-W63 HydrophobicContact CD1-CH2 4.41Å; F57-W63 HydrophobicContact CD1-CZ2 4.21Å; F57-W63 AromaticContact CD2-CH2 3.97Å; F57-W63 HydrophobicContact CD2-CH2 3.97Å; F57-W63 AromaticContact CD2-CZ2 3.83Å; F57-W63 HydrophobicContact CD2-CZ2 3.83Å; F57-W63 HydrophobicContact CE1-CH2 4.28Å; F57-W63 AromaticContact CE2-CH2 3.81Å; F57-W63 HydrophobicContact CE2-CH2 3.81Å; F57-W63 HydrophobicContact CE2-CZ2 4.16Å; F57-W63 HydrophobicContact CG-CH2 4.27Å; F57-W63 AromaticContact CG-CZ2 3.85Å; F57-W63 HydrophobicContact CG-CZ2 3.85Å; F57-W63 AromaticContact CZ-CH2 3.97Å; F57-W63 HydrophobicContact CZ-CH2 3.97Å; F57-I70 VanDerWaalsContact CD2-O 3.24Å; F57-I70 WeakPolarHBondContact CD2-O 3.37Å; F57-V72 HydrophobicContact CD2-CG2 3.86Å; F57-V72 HydrophobicContact CE2-CG2 3.58Å; F57-V72 HydrophobicContact CZ-CG2 4.32Å; F57-L76 HydrophobicContact CE2-CD1 4.5Å; F57-L83 HydrophobicContact CE1-CD2 4.41Å; F57-L83 HydrophobicContact CZ-CD2 3.81Å; F57-I116 HydrophobicContact CE1-CG2 4.42Å; F57-I116 HydrophobicContact CE2-CD1 3.92Å; F57-I116 HydrophobicContact CZ-CD1 3.88Å; F57-I116 HydrophobicContact CZ-CG2 3.96Å; F57-V118 HydrophobicContact CE1-CG2 4.04Å; F57-V146 HydrophobicContact CD1-CG1 4.22Å; F57-V146 HydrophobicContact CE1-CG1 4.04Å; F57-L153 HydrophobicContact CD1-CD2 3.98Å; F57-L153 HydrophobicContact CE1-CD2 3.78Å
58	P	95.7	Very high	94.9	Very high	48 Å²	48	64.6 Å²	64.6	31%	0.312	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-54.4	139	175.5	-22.2	27	0	0	0	112	L61 S152	P58-L61 HydrophobicContact CB-CD1 4Å; P58-L61 HydrophobicContact CB-CD2 4.43Å; P58-L61 HydrophobicContact CB-CG 4Å; P58-L61 HydrophobicContact CG-CD1 3.87Å; P58-L61 HydrophobicContact CG-CG 4.41Å; P58-L61 WeakPolarHBondContact O-CG 3.29Å; P58-S152 WeakPolarHBondContact CG-OG 3.2Å
59	E	94.2	Very high	95.1	Very high	165 Å²	165	66.1 Å²	66.1	77%	0.771	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	139.9	177.6	-70.4	-77.3	175	0	0	110.6	F57	F57-E59 PolarHBondContact O-N 3.12Å
60	G	94.3	Very high	95.5	Very high	75 Å²	75	56.6 Å²	56.6	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	5.5	176.6	0	0	0	0	0	115.9
61	L	97.1	Very high	95.8	Very high	38 Å²	38	51 Å²	51	20%	0.199	28%	0.282	C	S	.	.			trans	-65.2	147.5	169.1	-64.2	-175.3	0	0	0	111.4	P58 W63 V146 D148	P58-L61 HydrophobicContact CB-CD1 4Å; P58-L61 HydrophobicContact CB-CD2 4.43Å; P58-L61 HydrophobicContact CB-CG 4Å; P58-L61 HydrophobicContact CG-CD1 3.87Å; P58-L61 HydrophobicContact CG-CG 4.41Å; P58-L61 WeakPolarHBondContact O-CG 3.29Å; L61-W63 VanDerWaalsContact O-CD1 3.27Å; L61-V146 HydrophobicContact CB-CG2 3.7Å; L61-V146 HydrophobicContact CD1-CG2 3.73Å; L61-V146 HydrophobicContact CG-CG2 4.39Å; L61-D148 HydrophobicContact CD1-CB 4.25Å
62	E	97.6	Very high	95.9	Very high	96 Å²	96	49.3 Å²	49.3	45%	0.449	27%	0.273	S	S	.	.			trans	-82.1	137.4	178	-61.5	168	116.2	0	0	110.5	L129 N147	E62-L129 HydrophobicContact CB-CD1 3.74Å; E62-L129 HydrophobicContact CB-CD2 3.9Å; E62-L129 HydrophobicContact CB-CG 4.34Å; E62-L129 HydrophobicContact CG-CD2 4.2Å; E62-L129 WeakPolarHBondContact OE1-CD2 3.29Å; E62-N147 HydrophobicContact CB-CB 4.35Å; E62-N147 PolarHBondContact O-N 3.28Å; E62-N147 PolarHBondContact OE2-ND2 3.35Å
63	W	97.6	Very high	96.1	Very high	33 Å²	33	53.3 Å²	53.3	13%	0.125	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.4	-178.5	-73.6	79.1	0	0	0	111.9	F57 L61 T66 P69 I70 I116 P144 V145 V146	F57-W63 HydrophobicContact CB-CZ2 4.29Å; F57-W63 HydrophobicContact CD1-CH2 4.41Å; F57-W63 HydrophobicContact CD1-CZ2 4.21Å; F57-W63 AromaticContact CD2-CH2 3.97Å; F57-W63 HydrophobicContact CD2-CH2 3.97Å; F57-W63 AromaticContact CD2-CZ2 3.83Å; F57-W63 HydrophobicContact CD2-CZ2 3.83Å; F57-W63 HydrophobicContact CE1-CH2 4.28Å; F57-W63 AromaticContact CE2-CH2 3.81Å; F57-W63 HydrophobicContact CE2-CH2 3.81Å; F57-W63 HydrophobicContact CE2-CZ2 4.16Å; F57-W63 HydrophobicContact CG-CH2 4.27Å; F57-W63 AromaticContact CG-CZ2 3.85Å; F57-W63 HydrophobicContact CG-CZ2 3.85Å; F57-W63 AromaticContact CZ-CH2 3.97Å; F57-W63 HydrophobicContact CZ-CH2 3.97Å; L61-W63 VanDerWaalsContact O-CD1 3.27Å; W63-T66 WeakPolarHBondContact CB-OG1 3.43Å; W63-T66 HydrophobicContact CE3-CG2 4.03Å; W63-P69 HydrophobicContact CG-CB 4.46Å; W63-I70 HydrophobicContact CE3-CB 4.45Å; W63-I70 HydrophobicContact CH2-CB 3.74Å; W63-I70 HydrophobicContact CH2-CG2 4.43Å; W63-I70 HydrophobicContact CZ2-CB 4.07Å; W63-I70 VanDerWaalsContact CZ2-O 3.28Å; W63-I70 WeakPolarHBondContact CZ2-O 3.37Å; W63-I70 HydrophobicContact CZ3-CB 3.94Å; W63-I70 HydrophobicContact CZ3-CD1 4.16Å; W63-I70 HydrophobicContact CZ3-CG1 4.28Å; W63-I116 HydrophobicContact CH2-CD1 4.31Å; W63-I116 HydrophobicContact CH2-CG2 3.88Å; W63-I116 HydrophobicContact CZ3-CD1 4.49Å; W63-I116 HydrophobicContact CZ3-CG2 3.76Å; W63-P144 HydrophobicContact CE3-CB 4.5Å; W63-P144 HydrophobicContact CZ3-CB 4.24Å; W63-V145 CarbonylContact C-O 3.53Å; W63-V145 WeakPolarHBondContact CA-O 3.18Å; W63-V146 HydrophobicContact CD2-CB 3.78Å; W63-V146 HydrophobicContact CD2-CG2 3.99Å; W63-V146 HydrophobicContact CE3-CB 3.86Å; W63-V146 HydrophobicContact CG-CG2 4.41Å; W63-V146 HydrophobicContact CH2-CB 3.75Å; W63-V146 HydrophobicContact CH2-CG1 4.1Å; W63-V146 HydrophobicContact CH2-CG2 4.33Å; W63-V146 HydrophobicContact CZ2-CB 3.67Å; W63-V146 HydrophobicContact CZ2-CG1 4.27Å; W63-V146 HydrophobicContact CZ2-CG2 3.73Å; W63-V146 HydrophobicContact CZ3-CB 3.85Å; W63-V146 HydrophobicContact CZ3-CG1 4.42Å
64	L	96.8	Very high	96	Very high	16 Å²	16	57.7 Å²	57.7	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.8	173.5	-60.9	171.2	0	0	0	109.2	T66 L129 I132 K133 V136 V145	L64-T66 PolarHBondContact O-N 2.7Å; L64-L129 HydrophobicContact CD1-CD1 4.05Å; L64-L129 HydrophobicContact CD2-CD1 3.98Å; L64-L129 HydrophobicContact CD2-CG 4.33Å; L64-L129 HydrophobicContact CG-CD1 3.9Å; L64-I132 HydrophobicContact CD1-CB 4.2Å; L64-I132 HydrophobicContact CD1-CG2 3.78Å; L64-K133 HydrophobicContact CD1-CB 4.09Å; L64-K133 HydrophobicContact CD2-CB 4.11Å; L64-K133 HydrophobicContact CD2-CD 4.42Å; L64-K133 HydrophobicContact CD2-CG 4.08Å; L64-V136 HydrophobicContact CD1-CG2 4.04Å; L64-V145 HydrophobicContact CB-CB 4.26Å; L64-V145 PolarHBondContact N-O 3.01Å; L64-V145 PolarHBondContact O-N 2.96Å
65	N	95.9	Very high	96	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	32%	0.317	C	S	.	.	S	Bend	trans	60.4	20.6	-178	-64.1	-26.6	0	0	0	115.1	I141 H143 I211 K212 L213 Y214	N65-I141 PolarHBondContact ND2-O 2.86Å; N65-H143 WeakPolarHBondContact CB-O 3.5Å; N65-H143 PolarHBondContact ND2-O 3.21Å; N65-I211 WeakPolarHBondContact O-CA 3.44Å; N65-I211 WeakPolarHBondContact O-CG2 3.46Å; N65-K212 CarbonylContact C-O 3.57Å; N65-K212 VanDerWaalsContact CA-O 3.28Å; N65-K212 WeakPolarHBondContact CA-O 3.33Å; N65-K212 PolarHBondContact O-N 3.44Å; N65-L213 HydrophobicContact CB-CD2 4.28Å; N65-Y214 PolarHBondContact OD1-N 3.36Å
66	T	94.8	Very high	96.1	Very high	19 Å²	19	59.9 Å²	59.9	12%	0.117	31%	0.311	C	S	.	.	S	Bend	trans	-130.4	161.3	175.2	69.1	0	0	0	0	111.1	W63 L64 E68 I70 P144 G210	W63-T66 WeakPolarHBondContact CB-OG1 3.43Å; W63-T66 HydrophobicContact CE3-CG2 4.03Å; L64-T66 PolarHBondContact O-N 2.7Å; T66-E68 WeakPolarHBondContact CB-O 3.32Å; T66-E68 PolarHBondContact OG1-O 2.93Å; T66-I70 HydrophobicContact CG2-CD1 3.58Å; T66-I70 HydrophobicContact CG2-CG1 4.11Å; T66-P144 HydrophobicContact CG2-CB 3.54Å; T66-P144 HydrophobicContact CG2-CG 3.81Å; T66-G210 WeakPolarHBondContact CA-O 3.41Å
67	E	91.5	Very high	96.1	Very high	132 Å²	132	59.1 Å²	59.1	62%	0.617	31%	0.312	S	S	*	.	S	Bend	trans	-77.3	-40.6	171.8	-67.5	-176.9	163.3	0	0	112.2	G210 K212	E67-G210 PolarHBondContact N-O 3.24Å; E67-K212 HydrophobicContact CG-CB 4.18Å
68	E	93.3	Very high	96.1	Very high	144 Å²	144	58.9 Å²	58.9	67%	0.673	31%	0.313	S	S	*	.	S	Bend	trans	-139.5	167	-178.5	-67.5	-65.4	158.7	0	0	109.4	T66	T66-E68 WeakPolarHBondContact CB-O 3.32Å; T66-E68 PolarHBondContact OG1-O 2.93Å
69	P	96	Very high	96.2	Very high	78 Å²	78	56.7 Å²	56.7	51%	0.506	30%	0.298	S	S	.	.			trans	-56.2	140.5	170.6	-25.7	35.9	0	0	0	112.3	W63	W63-P69 HydrophobicContact CG-CB 4.46Å
70	I	97.1	Very high	96.4	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.056	26%	0.262	C	S	.	.			trans	-99.1	135	178.2	-65.1	178	0	0	0	109.7	F57 W63 T66 D75 L76 L114 I116 P144 I209	F57-I70 VanDerWaalsContact CD2-O 3.24Å; F57-I70 WeakPolarHBondContact CD2-O 3.37Å; W63-I70 HydrophobicContact CE3-CB 4.45Å; W63-I70 HydrophobicContact CH2-CB 3.74Å; W63-I70 HydrophobicContact CH2-CG2 4.43Å; W63-I70 HydrophobicContact CZ2-CB 4.07Å; W63-I70 VanDerWaalsContact CZ2-O 3.28Å; W63-I70 WeakPolarHBondContact CZ2-O 3.37Å; W63-I70 HydrophobicContact CZ3-CB 3.94Å; W63-I70 HydrophobicContact CZ3-CD1 4.16Å; W63-I70 HydrophobicContact CZ3-CG1 4.28Å; T66-I70 HydrophobicContact CG2-CD1 3.58Å; T66-I70 HydrophobicContact CG2-CG1 4.11Å; I70-D75 HydrophobicContact CG2-CB 4.32Å; I70-L76 HydrophobicContact CG2-CD1 3.85Å; I70-L76 HydrophobicContact CG2-CD2 3.63Å; I70-L76 HydrophobicContact CG2-CG 3.72Å; I70-L114 HydrophobicContact CD1-CD2 4.25Å; I70-I116 HydrophobicContact CG2-CD1 4.11Å; I70-P144 HydrophobicContact CD1-CB 4Å; I70-P144 HydrophobicContact CD1-CG 3.98Å; I70-I209 HydrophobicContact CD1-CG2 3.97Å
71	S	97	Very high	96.6	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	23%	0.226	C	C	.	.			trans	-113.9	135.2	172.2	153	0	0	0	0	110.9	E56 Y73 K74 D75 L76	E56-S71 WeakPolarHBondContact OE2-CB 3.34Å; E56-S71 PolarHBondContact OE2-OG 3.35Å; S71-Y73 VanDerWaalsContact C-N 3.33Å; S71-Y73 PolarHBondContact O-N 2.91Å; S71-Y73 PolarHBondContact OG-N 3.41Å; S71-K74 PolarHBondContact O-N 3.04Å; S71-K74 WeakPolarHBondContact OG-CB 3.25Å; S71-K74 WeakPolarHBondContact OG-CG 3.33Å; S71-K74 PolarHBondContact OG-N 2.85Å; S71-D75 PolarHBondContact N-OD2 3.43Å; S71-D75 PolarHBondContact O-N 3.38Å; S71-L76 PolarHBondContact O-N 2.99Å
72	V	97.1	Very high	96.7	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-46.5	179.5	178	0	0	0	0	110.6	V54 E56 F57 L76	V54-V72 HydrophobicContact CG1-CB 4.44Å; V54-V72 HydrophobicContact CG1-CG1 3.78Å; V54-V72 HydrophobicContact CG1-CG2 4.18Å; E56-V72 PolarHBondContact OE1-N 2.88Å; E56-V72 PolarHBondContact OE2-N 2.87Å; F57-V72 HydrophobicContact CD2-CG2 3.86Å; F57-V72 HydrophobicContact CE2-CG2 3.58Å; F57-V72 HydrophobicContact CZ-CG2 4.32Å; V72-L76 HydrophobicContact CG2-CD1 4.29Å; V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 2.93Å
73	Y	97.5	Very high	96.8	Very high	94 Å²	94	39 Å²	39	37%	0.369	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.9	-171.1	-61.8	-70.7	0	0	0	114.3	S53 V54 E56 S71 C77	S53-Y73 WeakPolarHBondContact CB-OH 3.29Å; V54-Y73 PolarHBondContact O-OH 2.88Å; E56-Y73 HydrophobicContact CB-CD2 4.19Å; E56-Y73 HydrophobicContact CB-CE2 4.25Å; E56-Y73 HydrophobicContact CG-CD2 4.48Å; E56-Y73 WeakPolarHBondContact OE2-CD2 3.44Å; E56-Y73 PolarHBondContact OE2-N 2.98Å; S71-Y73 VanDerWaalsContact C-N 3.33Å; S71-Y73 PolarHBondContact O-N 2.91Å; S71-Y73 PolarHBondContact OG-N 3.41Å; Y73-C77 VanDerWaalsContact C-SG 3.58Å; Y73-C77 PolarHBondContact O-SG 2.91Å
74	K	95.5	Very high	96.8	Very high	140 Å²	140	37.4 Å²	37.4	61%	0.609	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-51.3	175.7	-63.7	172.4	-171.7	160.7	0	111.6	S71	S71-K74 PolarHBondContact O-N 3.04Å; S71-K74 WeakPolarHBondContact OG-CB 3.25Å; S71-K74 WeakPolarHBondContact OG-CG 3.33Å; S71-K74 PolarHBondContact OG-N 2.85Å
75	D	96.7	Very high	96.9	Very high	66 Å²	66	36.7 Å²	36.7	35%	0.353	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-28.9	-166.9	-50.1	-52.9	0	0	0	112.4	I70 S71	I70-D75 HydrophobicContact CG2-CB 4.32Å; S71-D75 PolarHBondContact N-OD2 3.43Å; S71-D75 PolarHBondContact O-N 3.38Å
76	L	97.3	Very high	97	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-97.3	2.7	-175.6	-50.6	-177.6	0	0	0	114.1	F57 I70 S71 V72 G78 K79 V81 L114 I116	F57-L76 HydrophobicContact CE2-CD1 4.5Å; I70-L76 HydrophobicContact CG2-CD1 3.85Å; I70-L76 HydrophobicContact CG2-CD2 3.63Å; I70-L76 HydrophobicContact CG2-CG 3.72Å; S71-L76 PolarHBondContact O-N 2.99Å; V72-L76 HydrophobicContact CG2-CD1 4.29Å; V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 2.93Å; L76-G78 PolarHBondContact O-N 3.42Å; L76-K79 WeakPolarHBondContact O-CB 3.39Å; L76-K79 PolarHBondContact O-N 3.23Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L76-V81 HydrophobicContact CB-CG2 3.87Å; L76-V81 HydrophobicContact CD1-CG1 4.01Å; L76-V81 HydrophobicContact CD1-CG2 3.8Å; L76-V81 HydrophobicContact CG-CG2 4.29Å; L76-L114 HydrophobicContact CD2-CD2 3.39Å; L76-I116 HydrophobicContact CD1-CD1 3.52Å
77	C	96.9	Very high	97.1	Very high	44 Å²	44	35.6 Å²	35.6	30%	0.297	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	122.4	174.5	-73.6	0	0	0	0	110.8	Y73 P170 R205	Y73-C77 VanDerWaalsContact C-SG 3.58Å; Y73-C77 PolarHBondContact O-SG 2.91Å; C77-P170 WeakPolarHBondContact CA-O 3.42Å; C77-R205 WeakPolarHBondContact O-CD 3.43Å; C77-R205 PolarHBondContact O-NH1 3.11Å
78	G	97.5	Very high	97.4	Very high	7 Å²	7	29.4 Å²	29.4	7%	0.072	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	18.1	-177.2	0	0	0	0	0	114.7	L76 P170 Q203 I204 R205	L76-G78 PolarHBondContact O-N 3.42Å; G78-P170 PolarHBondContact N-O 3.24Å; G78-Q203 VanDerWaalsContact CA-O 3.31Å; G78-Q203 WeakPolarHBondContact CA-O 3.38Å; G78-I204 CarbonylContact O-C 3.53Å; G78-I204 VanDerWaalsContact O-CA 3.27Å; G78-I204 WeakPolarHBondContact O-CA 3.21Å; G78-R205 PolarHBondContact O-N 3.41Å
79	K	98.4	Very high	97.5	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.118	C	C	.	.	S	Bend	trans	-122.2	149.3	177	-55.9	-65.5	-177.7	179.7	0	111.5	L76 V81 D109 G112 G169 P170 R205 D207	L76-K79 WeakPolarHBondContact O-CB 3.39Å; L76-K79 PolarHBondContact O-N 3.23Å; L76-K79 VanDerWaalsContact O-N 3.08Å; K79-V81 HydrophobicContact CB-CG2 4.18Å; K79-D109 PolarHBondContact NZ-O 2.92Å; K79-G112 CarbonylContact C-O 3.44Å; K79-G112 WeakPolarHBondContact CA-O 3.2Å; K79-G169 CarbonylContact O-C 3Å; K79-P170 VanDerWaalsContact O-CA 3.26Å; K79-P170 WeakPolarHBondContact O-CA 3.3Å; K79-R205 PolarHBondContact NZ-O 2.78Å; K79-D207 WeakPolarHBondContact CE-OD1 3.39Å; K79-D207 PolarHBondContact NZ-O 2.78Å; K79-D207 IonicContact NZ-OD1 3.78Å; K79-D207 PolarHBondContact NZ-OD1 2.82Å; K79-D207 VanDerWaalsContact NZ-OD1 3.14Å
80	I	98.8	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.5	156.3	-57.7	-54.4	0	0	0	106.7	G112 L113 L114 I167 L168 A194 L195 Y198 I204	I80-G112 PolarHBondContact N-O 2.99Å; I80-L113 HydrophobicContact CB-CD1 3.96Å; I80-L113 HydrophobicContact CG2-CD1 3.71Å; I80-L113 WeakPolarHBondContact O-CA 3.4Å; I80-L114 PolarHBondContact O-N 2.71Å; I80-I167 HydrophobicContact CG2-CG2 3.97Å; I80-L168 WeakPolarHBondContact CA-O 3.16Å; I80-A194 HydrophobicContact CD1-CB 4.06Å; I80-A194 HydrophobicContact CG1-CB 4.37Å; I80-A194 HydrophobicContact CG2-CB 4.46Å; I80-L195 HydrophobicContact CB-CD2 4.02Å; I80-L195 HydrophobicContact CB-CG 4.33Å; I80-L195 HydrophobicContact CG1-CD2 3.59Å; I80-L195 HydrophobicContact CG1-CG 3.88Å; I80-Y198 HydrophobicContact CD1-CD2 3.73Å; I80-Y198 HydrophobicContact CD1-CE2 4.39Å; I80-Y198 HydrophobicContact CD1-CG 4.45Å; I80-I204 HydrophobicContact CD1-CD1 4.06Å; I80-I204 HydrophobicContact CG1-CD1 4Å
81	V	98.8	Very high	97.2	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.4	-178	-178	0	0	0	0	109.1	L76 K79 L83 L114 I116 I167 L168	L76-V81 HydrophobicContact CB-CG2 3.87Å; L76-V81 HydrophobicContact CD1-CG1 4.01Å; L76-V81 HydrophobicContact CD1-CG2 3.8Å; L76-V81 HydrophobicContact CG-CG2 4.29Å; K79-V81 HydrophobicContact CB-CG2 4.18Å; V81-L83 HydrophobicContact CG1-CD2 3.96Å; V81-L114 CarbonylContact C-O 3.54Å; V81-L114 VanDerWaalsContact CA-O 3.29Å; V81-L114 WeakPolarHBondContact CA-O 3.4Å; V81-I116 HydrophobicContact CG1-CD1 4.16Å; V81-I116 HydrophobicContact CG1-CG1 4.42Å; V81-I167 CarbonylContact O-C 3.24Å; V81-I167 WeakPolarHBondContact O-CA 3.47Å; V81-L168 HydrophobicContact CB-CB 4.1Å; V81-L168 HydrophobicContact CB-CD1 4.04Å; V81-L168 HydrophobicContact CB-CG 4.29Å; V81-L168 HydrophobicContact CG1-CD1 4.21Å; V81-L168 PolarHBondContact N-O 3.12Å; V81-L168 PolarHBondContact O-N 2.87Å
82	I	98.8	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.3	172.6	-59.7	166.8	0	0	0	107.3	L103 L113 L114 I115 I116 L165 V166 I167 L187 T191	I82-L103 HydrophobicContact CD1-CD2 3.19Å; I82-L103 HydrophobicContact CD1-CG 4.5Å; I82-L113 HydrophobicContact CD1-CD1 3.84Å; I82-L113 HydrophobicContact CD1-CD2 4.2Å; I82-L113 HydrophobicContact CD1-CG 4.44Å; I82-L113 HydrophobicContact CG1-CD1 4.09Å; I82-L114 PolarHBondContact N-O 3.31Å; I82-I115 HydrophobicContact CB-CG1 4.25Å; I82-I115 HydrophobicContact CD1-CG1 4.12Å; I82-I115 CarbonylContact O-C 3.55Å; I82-I115 WeakPolarHBondContact O-CA 3.24Å; I82-I116 PolarHBondContact O-N 2.83Å; I82-L165 HydrophobicContact CG2-CB 4.44Å; I82-L165 HydrophobicContact CG2-CD2 4.05Å; I82-V166 WeakPolarHBondContact CA-O 3.21Å; I82-I167 HydrophobicContact CG1-CG1 4.43Å; I82-L187 HydrophobicContact CD1-CD1 4.12Å; I82-T191 HydrophobicContact CD1-CG2 3.58Å; I82-T191 HydrophobicContact CG1-CG2 4.15Å
83	L	98.8	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.7	168.6	-55	-177	0	0	0	108.1	V54 F57 V81 F85 I116 V118 L153 L165 V166 L168	V54-L83 HydrophobicContact CG2-CD1 3.89Å; F57-L83 HydrophobicContact CE1-CD2 4.41Å; F57-L83 HydrophobicContact CZ-CD2 3.81Å; V81-L83 HydrophobicContact CG1-CD2 3.96Å; L83-F85 HydrophobicContact CB-CD2 4.42Å; L83-F85 HydrophobicContact CB-CE2 3.91Å; L83-F85 HydrophobicContact CD1-CE2 4.26Å; L83-F85 HydrophobicContact CD1-CZ 4.34Å; L83-I116 WeakPolarHBondContact CA-O 3.2Å; L83-I116 HydrophobicContact CD2-CB 4.11Å; L83-V118 HydrophobicContact CB-CG2 4.07Å; L83-V118 HydrophobicContact CD2-CG2 4.09Å; L83-L153 HydrophobicContact CD1-CD2 4.3Å; L83-L165 CarbonylContact O-C 3.46Å; L83-L165 VanDerWaalsContact O-CA 3.28Å; L83-L165 WeakPolarHBondContact O-CA 3.47Å; L83-V166 HydrophobicContact CB-CB 4.27Å; L83-V166 PolarHBondContact N-O 3.26Å; L83-V166 PolarHBondContact O-N 2.71Å; L83-L168 HydrophobicContact CD1-CD1 4.05Å; L83-L168 HydrophobicContact CD2-CD1 4.44Å; L83-L168 HydrophobicContact CG-CD1 4.07Å; L83-L168 HydrophobicContact CG-CG 4.5Å
84	D	98.7	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.9	172.2	175.9	30	0	0	0	109.6	F86 L100 I116 V118 L165	D84-F86 WeakPolarHBondContact O-CD1 3.1Å; D84-F86 PolarHBondContact O-N 2.86Å; D84-L100 HydrophobicContact CB-CD1 4.06Å; D84-L100 VanDerWaalsContact OD2-CD1 3.31Å; D84-L100 WeakPolarHBondContact OD2-CD1 3.49Å; D84-I116 PolarHBondContact N-O 2.76Å; D84-V118 PolarHBondContact O-N 3.25Å; D84-L165 HydrophobicContact CB-CD2 3.62Å; D84-L165 WeakPolarHBondContact OD1-CD2 3.42Å
85	F	98.6	Very high	97	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	97.4	173.9	-71.7	-85.5	0	0	0	109.4	L83 V118 L153 W154 L157 V159 P163 T164 V166	L83-F85 HydrophobicContact CB-CD2 4.42Å; L83-F85 HydrophobicContact CB-CE2 3.91Å; L83-F85 HydrophobicContact CD1-CE2 4.26Å; L83-F85 HydrophobicContact CD1-CZ 4.34Å; F85-V118 HydrophobicContact CD1-CB 3.98Å; F85-V118 HydrophobicContact CD1-CG1 3.88Å; F85-V118 HydrophobicContact CE1-CB 4.03Å; F85-V118 HydrophobicContact CE1-CG1 3.66Å; F85-V118 HydrophobicContact CE1-CG2 4.47Å; F85-V118 HydrophobicContact CG-CB 4.47Å; F85-V118 HydrophobicContact CZ-CG1 4.41Å; F85-L153 HydrophobicContact CE1-CB 4.1Å; F85-L153 HydrophobicContact CE1-CD2 4.24Å; F85-L153 HydrophobicContact CE1-CG 4.42Å; F85-L153 HydrophobicContact CZ-CB 4.46Å; F85-L153 HydrophobicContact CZ-CD2 3.98Å; F85-L153 HydrophobicContact CZ-CG 4.3Å; F85-W154 HydrophobicContact CB-CE3 3.75Å; F85-W154 HydrophobicContact CB-CZ3 3.78Å; F85-W154 HydrophobicContact CD1-CB 4.16Å; F85-W154 AromaticContact CD1-CE3 3.91Å; F85-W154 HydrophobicContact CD1-CE3 3.91Å; F85-W154 HydrophobicContact CE1-CB 4.27Å; F85-W154 HydrophobicContact CG-CE3 4.16Å; F85-L157 HydrophobicContact CE2-CD1 3.98Å; F85-L157 HydrophobicContact CZ-CD1 3.62Å; F85-V159 HydrophobicContact CB-CG1 4.31Å; F85-V159 HydrophobicContact CD1-CG2 4.35Å; F85-V159 HydrophobicContact CD2-CG2 4.14Å; F85-V159 HydrophobicContact CE1-CG2 4.45Å; F85-V159 HydrophobicContact CE2-CG2 4.26Å; F85-V159 HydrophobicContact CG-CG1 4.46Å; F85-V159 HydrophobicContact CG-CG2 4.2Å; F85-V159 HydrophobicContact CZ-CG2 4.42Å; F85-P163 WeakPolarHBondContact O-CA 3.27Å; F85-T164 WeakPolarHBondContact CB-O 3.29Å; F85-T164 WeakPolarHBondContact CD2-O 3.26Å; F85-T164 PolarHBondContact N-O 2.81Å; F85-T164 PolarHBondContact O-N 3.39Å; F85-V166 HydrophobicContact CD2-CG2 4.07Å; F85-V166 HydrophobicContact CE2-CB 4.41Å; F85-V166 HydrophobicContact CE2-CG2 3.75Å
86	F	98.4	Very high	97	Very high	4 Å²	4	5.4 Å²	5.4	2%	0.018	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.1	-170.3	89.1	-67.2	0	0	0	112.5	D84 C93 V118 H119 S120 I141 V145	D84-F86 WeakPolarHBondContact O-CD1 3.1Å; D84-F86 PolarHBondContact O-N 2.86Å; F86-C93 HydrophobicContact CB-CB 4.12Å; F86-V118 PolarHBondContact N-O 2.77Å; F86-H119 HydrophobicContact CD1-CB 4.46Å; F86-H119 HydrophobicContact CE1-CB 3.85Å; F86-H119 HydrophobicContact CZ-CB 4.28Å; F86-H119 CarbonylContact O-C 3.48Å; F86-H119 WeakPolarHBondContact O-CA 3.42Å; F86-S120 PolarHBondContact O-N 3.28Å; F86-I141 HydrophobicContact CE2-CD1 3.78Å; F86-I141 HydrophobicContact CZ-CD1 3.97Å; F86-V145 HydrophobicContact CE1-CG1 4.15Å; F86-V145 HydrophobicContact CZ-CG1 4.21Å
87	T	97.2	Very high	96.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.			trans	-144.8	143	170.4	-164.1	0	0	0	0	107.9	C89 C90 C93 K122 E126 W162	T87-C89 VanDerWaalsContact C-N 3.35Å; T87-C89 VanDerWaalsContact CG2-SG 3.56Å; T87-C89 PolarHBondContact O-N 2.84Å; T87-C90 HydrophobicContact CG2-CB 3.89Å; T87-C90 PolarHBondContact O-N 2.93Å; T87-C93 WeakPolarHBondContact O-CB 3.2Å; T87-K122 HydrophobicContact CG2-CB 4.14Å; T87-K122 PolarHBondContact OG1-N 3.06Å; T87-E126 PolarHBondContact OG1-OE1 2.78Å; T87-E126 PolarHBondContact OG1-OE2 3.29Å; T87-W162 HydrophobicContact CG2-CD2 4.21Å; T87-W162 HydrophobicContact CG2-CG 4.08Å
88	Y	97.3	Very high	96.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.008	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.1	-166.2	70.4	-105.2	0	0	0	114.9	H119 N125 E126 I132 A135 Y139 Y495 E533	Y88-H119 AromaticContact CD1-NE2 3.35Å; Y88-H119 VanDerWaalsContact CD1-NE2 3.35Å; Y88-H119 WeakPolarHBondContact CD1-NE2 3.37Å; Y88-H119 AromaticContact CE1-NE2 3.88Å; Y88-N125 PolarHBondContact OH-ND2 3.49Å; Y88-N125 VanDerWaalsContact OH-ND2 3.07Å; Y88-E126 HydrophobicContact CD1-CB 4.43Å; Y88-E126 HydrophobicContact CD1-CG 4.36Å; Y88-E126 HydrophobicContact CE1-CB 3.68Å; Y88-E126 HydrophobicContact CE1-CG 3.68Å; Y88-E126 HydrophobicContact CE2-CG 4.16Å; Y88-E126 PolarHBondContact N-OE1 3.21Å; Y88-I132 HydrophobicContact CE1-CG1 4.18Å; Y88-A135 HydrophobicContact CD1-CB 3.6Å; Y88-A135 HydrophobicContact CD2-CB 3.7Å; Y88-A135 HydrophobicContact CE1-CB 4.19Å; Y88-A135 HydrophobicContact CE2-CB 4.26Å; Y88-A135 HydrophobicContact CG-CB 3.34Å; Y88-Y139 PolarHBondContact O-OH 3.05Å; Y88-Y495 WeakPolarHBondContact CD2-OH 3.46Å; Y88-Y495 HydrophobicContact CE2-CE1 4.17Å; Y88-Y495 AromaticContact CE2-CZ 3.69Å; Y88-Y495 WeakPolarHBondContact CE2-OH 3.37Å; Y88-E533 PolarHBondContact OH-OE1 2.92Å
89	C	94.8	Very high	96.8	Very high	1 Å²	1	7 Å²	7	1%	0.007	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.7	170.8	63.3	0	0	0	0	113.2	T87 F123 E126 Q411 Y495	T87-C89 VanDerWaalsContact C-N 3.35Å; T87-C89 VanDerWaalsContact CG2-SG 3.56Å; T87-C89 PolarHBondContact O-N 2.84Å; C89-F123 HydrophobicContact CB-CD2 4.06Å; C89-F123 HydrophobicContact CB-CE2 4.04Å; C89-E126 VanDerWaalsContact CB-OE1 3.25Å; C89-E126 WeakPolarHBondContact CB-OE1 3.48Å; C89-E126 PolarHBondContact N-OE1 2.72Å; C89-E126 VanDerWaalsContact SG-CD 3.58Å; C89-E126 PolarHBondContact SG-OE1 2.72Å; C89-E126 PolarHBondContact SG-OE2 3.45Å; C89-E126 VanDerWaalsContact SG-OE2 3.41Å; C89-Q411 PolarHBondContact O-NE2 2.96Å; C89-Q411 PolarHBondContact O-OE1 3.46Å; C89-Y495 WeakPolarHBondContact CA-OH 3.46Å; C89-Y495 HydrophobicContact CB-CE2 3.9Å; C89-Y495 WeakPolarHBondContact CB-OH 3.38Å
90	C	93.4	Very high	96.8	Very high	7 Å²	7	7 Å²	7	5%	0.047	4%	0.041	C	C	.	.			trans	-81.4	121.9	-166.7	179.4	0	0	0	0	111.6	T87 N92 C93 I94	T87-C90 HydrophobicContact CG2-CB 3.89Å; T87-C90 PolarHBondContact O-N 2.93Å; C90-N92 VanDerWaalsContact C-N 3.26Å; C90-N92 PolarHBondContact O-N 3.17Å; C90-C93 HydrophobicContact CB-CB 4.16Å; C90-C93 WeakPolarHBondContact O-CB 3.18Å; C90-C93 PolarHBondContact O-N 2.66Å; C90-I94 WeakPolarHBondContact O-CG1 3.29Å; C90-I94 PolarHBondContact O-N 3.05Å; C90-I94 VanDerWaalsContact O-N 3.13Å
91	I	93.9	Very high	96.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.8	-32.9	179	-166.5	48.3	0	0	0	113.2	C93 I94 H95 W339 Q411	I91-C93 VanDerWaalsContact C-N 3.29Å; I91-C93 PolarHBondContact O-N 3.14Å; I91-I94 HydrophobicContact CD1-CB 4.15Å; I91-I94 HydrophobicContact CD1-CD1 4.16Å; I91-I94 HydrophobicContact CD1-CG2 4.4Å; I91-I94 PolarHBondContact O-N 2.91Å; I91-H95 VanDerWaalsContact O-CG 3.24Å; I91-H95 PolarHBondContact O-N 2.88Å; I91-H95 PolarHBondContact O-ND1 3.02Å; I91-W339 HydrophobicContact CD1-CE3 4.45Å; I91-W339 HydrophobicContact CD1-CH2 4.31Å; I91-W339 HydrophobicContact CD1-CZ3 3.55Å; I91-Q411 HydrophobicContact CB-CG 4.16Å; I91-Q411 VanDerWaalsContact CB-OE1 3.3Å; I91-Q411 HydrophobicContact CG2-CG 4.23Å
92	N	93.7	Very high	96.5	Very high	26 Å²	26	10.6 Å²	10.6	14%	0.139	6%	0.063	C	C	.	.	H	α-helix	trans	-64.3	-35.2	176.1	-53	-47.9	0	0	0	111.6	C90 L96 E181	C90-N92 VanDerWaalsContact C-N 3.26Å; C90-N92 PolarHBondContact O-N 3.17Å; N92-L96 PolarHBondContact O-N 3.3Å; N92-E181 HydrophobicContact CB-CB 4.47Å; N92-E181 HydrophobicContact CB-CG 4.44Å
93	C	97.1	Very high	96.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-69	-43.3	174.1	-66.4	0	0	0	0	111	F86 T87 C90 I91 H95 L96 L97	F86-C93 HydrophobicContact CB-CB 4.12Å; T87-C93 WeakPolarHBondContact O-CB 3.2Å; C90-C93 HydrophobicContact CB-CB 4.16Å; C90-C93 WeakPolarHBondContact O-CB 3.18Å; C90-C93 PolarHBondContact O-N 2.66Å; I91-C93 VanDerWaalsContact C-N 3.29Å; I91-C93 PolarHBondContact O-N 3.14Å; C93-H95 VanDerWaalsContact C-N 3.31Å; C93-H95 PolarHBondContact O-N 3.14Å; C93-L96 WeakPolarHBondContact O-CB 3.4Å; C93-L96 PolarHBondContact O-N 2.76Å; C93-L97 PolarHBondContact O-N 3.04Å
94	I	95.4	Very high	96.4	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-43.2	178.7	-62.5	167	0	0	0	110.5	C90 I91 L96 L97 P98 Y139 E297 W339	C90-I94 WeakPolarHBondContact O-CG1 3.29Å; C90-I94 PolarHBondContact O-N 3.05Å; C90-I94 VanDerWaalsContact O-N 3.13Å; I91-I94 HydrophobicContact CD1-CB 4.15Å; I91-I94 HydrophobicContact CD1-CD1 4.16Å; I91-I94 HydrophobicContact CD1-CG2 4.4Å; I91-I94 PolarHBondContact O-N 2.91Å; I94-L96 PolarHBondContact O-N 2.92Å; I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 2.66Å; I94-P98 WeakPolarHBondContact O-CD 3.4Å; I94-Y139 HydrophobicContact CD1-CE1 3.84Å; I94-Y139 HydrophobicContact CD1-CE2 4.25Å; I94-Y139 VanDerWaalsContact CD1-OH 3.26Å; I94-Y139 WeakPolarHBondContact CD1-OH 3.22Å; I94-Y139 HydrophobicContact CG1-CE1 4.12Å; I94-Y139 HydrophobicContact CG1-CE2 4.27Å; I94-Y139 HydrophobicContact CG2-CD1 4.27Å; I94-Y139 HydrophobicContact CG2-CE1 4.19Å; I94-E297 WeakPolarHBondContact CG2-OE1 3.32Å; I94-W339 HydrophobicContact CD1-CH2 4.13Å
95	H	95.6	Very high	96.2	Very high	9 Å²	9	21.2 Å²	21.2	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-63.4	-20.9	176.6	-64	155.5	0	0	0	114.4	I91 C93 P98 E181 Q320 S337	I91-H95 VanDerWaalsContact O-CG 3.24Å; I91-H95 PolarHBondContact O-N 2.88Å; I91-H95 PolarHBondContact O-ND1 3.02Å; C93-H95 VanDerWaalsContact C-N 3.31Å; C93-H95 PolarHBondContact O-N 3.14Å; H95-P98 WeakPolarHBondContact O-CD 3.33Å; H95-E181 VanDerWaalsContact CB-OE2 3.23Å; H95-E181 WeakPolarHBondContact CB-OE2 3.39Å; H95-E181 IonicContact CE1-OE2 2.83Å; H95-E181 IonicContact CG-OE2 3.13Å; H95-E181 IonicContact ND1-OE2 3.83Å; H95-E181 PolarHBondContact ND1-OE2 2.79Å; H95-Q320 PolarHBondContact CE1-NE2 3.48Å; H95-Q320 VanDerWaalsContact CE1-NE2 3.26Å; H95-Q320 PolarHBondContact ND1-NE2 2.8Å; H95-S337 PolarHBondContact NE2-OG 3.34Å
96	L	96.8	Very high	96.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-81.6	-26.7	177.2	-171.7	65.7	0	0	0	112.7	N92 C93 I94 D99 L100 P163 L165	N92-L96 PolarHBondContact O-N 3.3Å; C93-L96 WeakPolarHBondContact O-CB 3.4Å; C93-L96 PolarHBondContact O-N 2.76Å; I94-L96 PolarHBondContact O-N 2.92Å; L96-D99 HydrophobicContact CD1-CB 4.35Å; L96-D99 WeakPolarHBondContact O-CB 3.45Å; L96-D99 PolarHBondContact O-N 2.83Å; L96-L100 HydrophobicContact CD2-CD1 4.42Å; L96-L100 HydrophobicContact CG-CD1 4.31Å; L96-L100 HydrophobicContact CG-CG 4.25Å; L96-L100 PolarHBondContact O-N 3.13Å; L96-L100 VanDerWaalsContact O-N 3.13Å; L96-P163 HydrophobicContact CB-CG 4.18Å; L96-P163 HydrophobicContact CD2-CB 3.63Å; L96-P163 HydrophobicContact CD2-CG 3.58Å; L96-P163 HydrophobicContact CG-CG 4.46Å; L96-L165 HydrophobicContact CD1-CD1 4.31Å; L96-L165 HydrophobicContact CD2-CD1 4.1Å; L96-L165 HydrophobicContact CD2-CD2 3.73Å; L96-L165 HydrophobicContact CD2-CG 3.89Å
97	L	96.5	Very high	96.2	Very high	8 Å²	8	27 Å²	27	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-40.9	-176.5	-61.4	175.6	0	0	0	113.6	C93 I94 D99 L100 H101 Y139 I141	C93-L97 PolarHBondContact O-N 3.04Å; I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 2.66Å; L97-D99 VanDerWaalsContact C-N 3.27Å; L97-D99 PolarHBondContact O-N 2.75Å; L97-L100 HydrophobicContact CD2-CD1 4.48Å; L97-L100 PolarHBondContact O-N 2.73Å; L97-H101 WeakPolarHBondContact O-CB 3.25Å; L97-H101 PolarHBondContact O-CD2 2.76Å; L97-H101 PolarHBondContact O-N 2.76Å; L97-Y139 HydrophobicContact CD1-CG 4.16Å; L97-I141 HydrophobicContact CD1-CD1 4.13Å; L97-I141 HydrophobicContact CD1-CG1 4.11Å; L97-I141 HydrophobicContact CD2-CD1 4Å; L97-I141 HydrophobicContact CD2-CG1 4.06Å
98	P	94.9	Very high	96.1	Very high	61 Å²	61	29 Å²	29	40%	0.396	16%	0.156	S	C	.	.	H	α-helix	trans	-59.8	-33.4	173.9	-25.5	35.1	0	0	0	114	I94 H95 A102	I94-P98 WeakPolarHBondContact O-CD 3.4Å; H95-P98 WeakPolarHBondContact O-CD 3.33Å; P98-A102 WeakPolarHBondContact O-CB 3.15Å; P98-A102 PolarHBondContact O-N 3.49Å
99	D	96.6	Very high	95.9	Very high	20 Å²	20	30.4 Å²	30.4	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-41.3	176.9	-70.5	-22.8	0	0	0	111.3	L96 L97 A102 L103 K184 L187	L96-D99 HydrophobicContact CD1-CB 4.35Å; L96-D99 WeakPolarHBondContact O-CB 3.45Å; L96-D99 PolarHBondContact O-N 2.83Å; L97-D99 VanDerWaalsContact C-N 3.27Å; L97-D99 PolarHBondContact O-N 2.75Å; D99-A102 PolarHBondContact O-N 2.85Å; D99-L103 WeakPolarHBondContact O-CB 3.27Å; D99-L103 PolarHBondContact O-N 3.12Å; D99-K184 HydrophobicContact CB-CB 4.5Å; D99-K184 HydrophobicContact CB-CG 4.19Å; D99-K184 VanDerWaalsContact OD1-CD 3.22Å; D99-K184 WeakPolarHBondContact OD1-CD 3.49Å; D99-K184 WeakPolarHBondContact OD1-CE 3.27Å; D99-K184 VanDerWaalsContact OD1-CG 3.31Å; D99-K184 WeakPolarHBondContact OD1-CG 3.44Å; D99-K184 IonicContact OD1-NZ 2.72Å; D99-K184 PolarHBondContact OD1-NZ 3.4Å; D99-K184 WeakPolarHBondContact OD2-CB 3.31Å; D99-L187 HydrophobicContact CB-CD2 4.41Å
100	L	98	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-41.4	174.7	-63.2	177.6	0	0	0	111.9	D84 L96 L97 L103 E104 I115 L165 L187	D84-L100 HydrophobicContact CB-CD1 4.06Å; D84-L100 VanDerWaalsContact OD2-CD1 3.31Å; D84-L100 WeakPolarHBondContact OD2-CD1 3.49Å; L96-L100 HydrophobicContact CD2-CD1 4.42Å; L96-L100 HydrophobicContact CG-CD1 4.31Å; L96-L100 HydrophobicContact CG-CG 4.25Å; L96-L100 PolarHBondContact O-N 3.13Å; L96-L100 VanDerWaalsContact O-N 3.13Å; L97-L100 HydrophobicContact CD2-CD1 4.48Å; L97-L100 PolarHBondContact O-N 2.73Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L100-L103 PolarHBondContact O-N 3.34Å; L100-E104 WeakPolarHBondContact O-CB 3.49Å; L100-E104 PolarHBondContact O-N 2.98Å; L100-I115 HydrophobicContact CB-CD1 4.21Å; L100-I115 HydrophobicContact CD2-CD1 4.28Å; L100-I115 HydrophobicContact CD2-CG2 4.37Å; L100-I115 WeakPolarHBondContact O-CD1 3.41Å; L100-L165 HydrophobicContact CD2-CD1 4.25Å; L100-L165 HydrophobicContact CD2-CD2 4.17Å; L100-L187 HydrophobicContact CD2-CD2 4.13Å
101	H	96.3	Very high	96.2	Very high	46 Å²	46	38.4 Å²	38.4	21%	0.213	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-44.3	174	-88.6	-58.6	0	0	0	112.6	L97 L103 E104 H105 N140 T142	L97-H101 WeakPolarHBondContact O-CB 3.25Å; L97-H101 PolarHBondContact O-CD2 2.76Å; L97-H101 PolarHBondContact O-N 2.76Å; H101-L103 PolarHBondContact O-N 3.08Å; H101-E104 IonicContact ND1-OE2 3.13Å; H101-E104 PolarHBondContact O-N 2.72Å; H101-H105 WeakPolarHBondContact O-CB 3.46Å; H101-H105 PolarHBondContact O-N 3.34Å; H101-N140 PolarHBondContact CE1-O 2.72Å; H101-N140 PolarHBondContact NE2-O 2.75Å; H101-T142 PolarHBondContact CE1-OG1 3.03Å; H101-T142 VanDerWaalsContact CE1-OG1 3.24Å; H101-T142 PolarHBondContact ND1-OG1 2.75Å
102	A	96.5	Very high	96.3	Very high	33 Å²	33	38.4 Å²	38.4	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-36.8	176.3	0	0	0	0	0	111.3	P98 D99 T106 F188	P98-A102 WeakPolarHBondContact O-CB 3.15Å; P98-A102 PolarHBondContact O-N 3.49Å; D99-A102 PolarHBondContact O-N 2.85Å; A102-T106 WeakPolarHBondContact O-CB 3.2Å; A102-T106 PolarHBondContact O-N 2.87Å; A102-T106 VanDerWaalsContact O-N 3.12Å; A102-T106 PolarHBondContact O-OG1 3.49Å; A102-F188 HydrophobicContact CB-CZ 4.04Å
103	L	97.9	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71	-45.2	178.4	-170	70.2	0	0	0	112.3	I82 D99 L100 H101 H105 T106 Y107 L113 I115 L187 F188 T191	I82-L103 HydrophobicContact CD1-CD2 3.19Å; I82-L103 HydrophobicContact CD1-CG 4.5Å; D99-L103 WeakPolarHBondContact O-CB 3.27Å; D99-L103 PolarHBondContact O-N 3.12Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L100-L103 PolarHBondContact O-N 3.34Å; H101-L103 PolarHBondContact O-N 3.08Å; L103-H105 VanDerWaalsContact C-N 3.29Å; L103-H105 PolarHBondContact O-N 2.91Å; L103-T106 WeakPolarHBondContact O-CA 3.26Å; L103-T106 WeakPolarHBondContact O-CB 3.38Å; L103-T106 PolarHBondContact O-N 3.27Å; L103-Y107 HydrophobicContact CD1-CD2 3.8Å; L103-Y107 HydrophobicContact CD1-CE2 4.08Å; L103-Y107 PolarHBondContact O-N 2.95Å; L103-L113 HydrophobicContact CD1-CD2 4.44Å; L103-L113 HydrophobicContact CD2-CD2 3.98Å; L103-L113 HydrophobicContact CG-CD2 3.81Å; L103-I115 HydrophobicContact CB-CD1 4.45Å; L103-I115 HydrophobicContact CD2-CD1 4.33Å; L103-L187 HydrophobicContact CD2-CD1 3.94Å; L103-L187 HydrophobicContact CD2-CD2 4.09Å; L103-L187 HydrophobicContact CD2-CG 3.91Å; L103-F188 HydrophobicContact CB-CE2 4.1Å; L103-F188 HydrophobicContact CB-CZ 4.02Å; L103-F188 HydrophobicContact CD1-CD1 3.99Å; L103-F188 HydrophobicContact CD1-CD2 4.09Å; L103-F188 HydrophobicContact CD1-CE1 3.89Å; L103-F188 HydrophobicContact CD1-CE2 4Å; L103-F188 HydrophobicContact CD1-CG 4.1Å; L103-F188 HydrophobicContact CD1-CZ 3.9Å; L103-T191 HydrophobicContact CD2-CG2 4.21Å
104	E	95.9	Very high	96.6	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-40.1	174.6	-175.3	178.5	-149.5	0	0	111.6	L100 H101 T106 Y107 I115 T142	L100-E104 WeakPolarHBondContact O-CB 3.49Å; L100-E104 PolarHBondContact O-N 2.98Å; H101-E104 IonicContact ND1-OE2 3.13Å; H101-E104 PolarHBondContact O-N 2.72Å; E104-T106 VanDerWaalsContact C-N 3.28Å; E104-T106 PolarHBondContact O-N 3.5Å; E104-Y107 CarbonylContact O-C 3.58Å; E104-I115 HydrophobicContact CB-CD1 4.12Å; E104-T142 PolarHBondContact OE2-OG1 3.09Å
105	H	96.2	Very high	96.8	Very high	173 Å²	173	38 Å²	38	80%	0.801	20%	0.198	S	C	*	.	H	α-helix	trans	-67.4	-29.1	174.1	-177.3	-81.4	0	0	0	112.6	H101 L103	H101-H105 WeakPolarHBondContact O-CB 3.46Å; H101-H105 PolarHBondContact O-N 3.34Å; L103-H105 VanDerWaalsContact C-N 3.29Å; L103-H105 PolarHBondContact O-N 2.91Å
106	T	97.7	Very high	96.9	Very high	66 Å²	66	37.6 Å²	37.6	41%	0.405	20%	0.196	S	C	.	.	H	α-helix	trans	-81.4	-38.4	-179.4	-57.2	0	0	0	0	112.1	A102 L103 E104 F188	A102-T106 WeakPolarHBondContact O-CB 3.2Å; A102-T106 PolarHBondContact O-N 2.87Å; A102-T106 VanDerWaalsContact O-N 3.12Å; A102-T106 PolarHBondContact O-OG1 3.49Å; L103-T106 WeakPolarHBondContact O-CA 3.26Å; L103-T106 WeakPolarHBondContact O-CB 3.38Å; L103-T106 PolarHBondContact O-N 3.27Å; E104-T106 VanDerWaalsContact C-N 3.28Å; E104-T106 PolarHBondContact O-N 3.5Å; T106-F188 HydrophobicContact CG2-CE1 4.32Å
107	Y	97.7	Very high	97	Very high	58 Å²	58	37.4 Å²	37.4	23%	0.227	20%	0.195	C	C	.	.	S	Bend	trans	-133.3	114.3	-177.3	-59.3	-66.6	0	0	0	110.4	L103 E104 D111 L113 S192 L195	L103-Y107 HydrophobicContact CD1-CD2 3.8Å; L103-Y107 HydrophobicContact CD1-CE2 4.08Å; L103-Y107 PolarHBondContact O-N 2.95Å; E104-Y107 CarbonylContact O-C 3.58Å; Y107-D111 HydrophobicContact CD1-CB 4.38Å; Y107-L113 HydrophobicContact CD2-CD2 4.19Å; Y107-L113 HydrophobicContact CG-CD2 4.34Å; Y107-S192 WeakPolarHBondContact OH-CB 3.49Å; Y107-L195 HydrophobicContact CD1-CD1 3.71Å; Y107-L195 HydrophobicContact CD2-CD1 4.12Å; Y107-L195 HydrophobicContact CE1-CD1 3.99Å; Y107-L195 HydrophobicContact CE2-CD1 4.37Å; Y107-L195 HydrophobicContact CG-CD1 3.78Å
108	S	96.1	Very high	97.1	Very high	43 Å²	43	37 Å²	37	30%	0.301	19%	0.193	S	C	.	.			trans	-84.5	173.8	177.7	65.4	0	0	0	0	113	K110 D111 G112 L113	S108-K110 PolarHBondContact O-N 3.34Å; S108-K110 PolarHBondContact OG-N 2.81Å; S108-D111 WeakPolarHBondContact CB-OD2 3.4Å; S108-D111 PolarHBondContact N-OD2 3.49Å; S108-D111 WeakPolarHBondContact O-CB 3.17Å; S108-D111 PolarHBondContact O-N 3.49Å; S108-D111 PolarHBondContact OG-N 3.02Å; S108-D111 PolarHBondContact OG-OD2 2.79Å; S108-G112 PolarHBondContact O-N 3.04Å; S108-L113 CarbonylContact C-O 3.55Å; S108-L113 PolarHBondContact O-N 2.94Å
109	D	93.9	Very high	97.3	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.171	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-51.8	-40	169.2	62.9	-22.8	0	0	0	112.1	K79 G112 L113 K208 I209	K79-D109 PolarHBondContact NZ-O 2.92Å; D109-G112 PolarHBondContact O-N 2.98Å; D109-G112 VanDerWaalsContact O-N 3.12Å; D109-L113 WeakPolarHBondContact CA-O 3.29Å; D109-L113 PolarHBondContact N-O 3.26Å; D109-K208 VanDerWaalsContact OD2-CA 3.25Å; D109-K208 WeakPolarHBondContact OD2-CA 3.38Å; D109-K208 WeakPolarHBondContact OD2-CB 3.37Å; D109-I209 PolarHBondContact OD2-N 3.35Å
110	K	95.6	Very high	97.3	Very high	113 Å²	113	33.2 Å²	33.2	49%	0.491	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-68.5	-31.1	175.9	-65.3	-171	178.8	-175.1	0	114.1	S108 G112 K208	S108-K110 PolarHBondContact O-N 3.34Å; S108-K110 PolarHBondContact OG-N 2.81Å; K110-G112 PolarHBondContact O-N 2.92Å; K110-K208 HydrophobicContact CG-CG 4.4Å
111	D	97.2	Very high	97.3	Very high	62 Å²	62	33.9 Å²	33.9	33%	0.332	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-71.9	-12.9	174.7	-62.1	-59	0	0	0	111.8	Y107 S108 K199	Y107-D111 HydrophobicContact CD1-CB 4.38Å; S108-D111 WeakPolarHBondContact CB-OD2 3.4Å; S108-D111 PolarHBondContact N-OD2 3.49Å; S108-D111 WeakPolarHBondContact O-CB 3.17Å; S108-D111 PolarHBondContact O-N 3.49Å; S108-D111 PolarHBondContact OG-N 3.02Å; S108-D111 PolarHBondContact OG-OD2 2.79Å; D111-K199 WeakPolarHBondContact O-CE 3.28Å; D111-K199 PolarHBondContact O-NZ 3.41Å
112	G	97.4	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	15.8	177.5	0	0	0	0	0	113.8	K79 I80 S108 D109 K110	K79-G112 CarbonylContact C-O 3.44Å; K79-G112 WeakPolarHBondContact CA-O 3.2Å; I80-G112 PolarHBondContact N-O 2.99Å; S108-G112 PolarHBondContact O-N 3.04Å; D109-G112 PolarHBondContact O-N 2.98Å; D109-G112 VanDerWaalsContact O-N 3.12Å; K110-G112 PolarHBondContact O-N 2.92Å
113	L	98.4	Very high	97.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.5	178.5	-172.2	70.2	0	0	0	111.2	I80 I82 L103 Y107 S108 D109 L195	I80-L113 HydrophobicContact CB-CD1 3.96Å; I80-L113 HydrophobicContact CG2-CD1 3.71Å; I80-L113 WeakPolarHBondContact O-CA 3.4Å; I82-L113 HydrophobicContact CD1-CD1 3.84Å; I82-L113 HydrophobicContact CD1-CD2 4.2Å; I82-L113 HydrophobicContact CD1-CG 4.44Å; I82-L113 HydrophobicContact CG1-CD1 4.09Å; L103-L113 HydrophobicContact CD1-CD2 4.44Å; L103-L113 HydrophobicContact CD2-CD2 3.98Å; L103-L113 HydrophobicContact CG-CD2 3.81Å; Y107-L113 HydrophobicContact CD2-CD2 4.19Å; Y107-L113 HydrophobicContact CG-CD2 4.34Å; S108-L113 CarbonylContact C-O 3.55Å; S108-L113 PolarHBondContact O-N 2.94Å; D109-L113 WeakPolarHBondContact CA-O 3.29Å; D109-L113 PolarHBondContact N-O 3.26Å; L113-L195 HydrophobicContact CB-CD1 4.47Å
114	L	98.4	Very high	97.3	Very high	11 Å²	11	34.2 Å²	34.2	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.9	165.1	-167.1	72.4	0	0	0	110.5	I70 L76 I80 V81 I82 I116 P144 I209	I70-L114 HydrophobicContact CD1-CD2 4.25Å; L76-L114 HydrophobicContact CD2-CD2 3.39Å; I80-L114 PolarHBondContact O-N 2.71Å; V81-L114 CarbonylContact C-O 3.54Å; V81-L114 VanDerWaalsContact CA-O 3.29Å; V81-L114 WeakPolarHBondContact CA-O 3.4Å; I82-L114 PolarHBondContact N-O 3.31Å; L114-I116 HydrophobicContact CD2-CD1 4.16Å; L114-I116 HydrophobicContact CD2-CG1 4.09Å; L114-I116 HydrophobicContact CG-CG1 4.4Å; L114-P144 HydrophobicContact CD1-CG 4.24Å; L114-I209 HydrophobicContact CD1-CB 4.45Å; L114-I209 HydrophobicContact CD1-CG1 4.44Å; L114-I209 HydrophobicContact CD2-CG1 4.29Å; L114-I209 HydrophobicContact CD2-CG2 4.23Å
115	I	98.7	Very high	97.4	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.6	170.9	-57.5	170.6	0	0	0	107.5	I82 L100 L103 E104 H143 P144	I82-I115 HydrophobicContact CB-CG1 4.25Å; I82-I115 HydrophobicContact CD1-CG1 4.12Å; I82-I115 CarbonylContact O-C 3.55Å; I82-I115 WeakPolarHBondContact O-CA 3.24Å; L100-I115 HydrophobicContact CB-CD1 4.21Å; L100-I115 HydrophobicContact CD2-CD1 4.28Å; L100-I115 HydrophobicContact CD2-CG2 4.37Å; L100-I115 WeakPolarHBondContact O-CD1 3.41Å; L103-I115 HydrophobicContact CB-CD1 4.45Å; L103-I115 HydrophobicContact CD2-CD1 4.33Å; E104-I115 HydrophobicContact CB-CD1 4.12Å; I115-H143 HydrophobicContact CB-CB 4.11Å; I115-H143 HydrophobicContact CG2-CB 4.44Å; I115-P144 WeakPolarHBondContact O-CD 3.35Å
116	I	98.7	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.6	173.6	-61.2	177.6	0	0	0	108	F57 W63 I70 L76 V81 I82 L83 D84 L114 V118 P144 V146	F57-I116 HydrophobicContact CE1-CG2 4.42Å; F57-I116 HydrophobicContact CE2-CD1 3.92Å; F57-I116 HydrophobicContact CZ-CD1 3.88Å; F57-I116 HydrophobicContact CZ-CG2 3.96Å; W63-I116 HydrophobicContact CH2-CD1 4.31Å; W63-I116 HydrophobicContact CH2-CG2 3.88Å; W63-I116 HydrophobicContact CZ3-CD1 4.49Å; W63-I116 HydrophobicContact CZ3-CG2 3.76Å; I70-I116 HydrophobicContact CG2-CD1 4.11Å; L76-I116 HydrophobicContact CD1-CD1 3.52Å; V81-I116 HydrophobicContact CG1-CD1 4.16Å; V81-I116 HydrophobicContact CG1-CG1 4.42Å; I82-I116 PolarHBondContact O-N 2.83Å; L83-I116 WeakPolarHBondContact CA-O 3.2Å; L83-I116 HydrophobicContact CD2-CB 4.11Å; D84-I116 PolarHBondContact N-O 2.76Å; L114-I116 HydrophobicContact CD2-CD1 4.16Å; L114-I116 HydrophobicContact CD2-CG1 4.09Å; L114-I116 HydrophobicContact CG-CG1 4.4Å; I116-V118 HydrophobicContact CG2-CG2 4.28Å; I116-V118 PolarHBondContact O-N 3.48Å; I116-P144 WeakPolarHBondContact CA-O 3.44Å; I116-P144 HydrophobicContact CG1-CB 4.35Å; I116-V146 HydrophobicContact CG2-CG1 4.28Å
117	G	98.6	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	106.3	168.2	0	0	0	0	0	109.6	H119 P144 V145 V146	G117-H119 PolarHBondContact O-N 3.32Å; G117-P144 PolarHBondContact N-O 2.98Å; G117-V145 CarbonylContact O-C 3.59Å; G117-V145 VanDerWaalsContact O-CA 3.3Å; G117-V145 WeakPolarHBondContact O-CA 3.27Å; G117-V146 PolarHBondContact O-N 3Å
118	V	98.6	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	89.2	171.1	-171.8	0	0	0	0	106.9	F57 L83 D84 F85 F86 I116 S120 V146 D148 L153	F57-V118 HydrophobicContact CE1-CG2 4.04Å; L83-V118 HydrophobicContact CB-CG2 4.07Å; L83-V118 HydrophobicContact CD2-CG2 4.09Å; D84-V118 PolarHBondContact O-N 3.25Å; F85-V118 HydrophobicContact CD1-CB 3.98Å; F85-V118 HydrophobicContact CD1-CG1 3.88Å; F85-V118 HydrophobicContact CE1-CB 4.03Å; F85-V118 HydrophobicContact CE1-CG1 3.66Å; F85-V118 HydrophobicContact CE1-CG2 4.47Å; F85-V118 HydrophobicContact CG-CB 4.47Å; F85-V118 HydrophobicContact CZ-CG1 4.41Å; F86-V118 PolarHBondContact N-O 2.77Å; I116-V118 HydrophobicContact CG2-CG2 4.28Å; I116-V118 PolarHBondContact O-N 3.48Å; V118-S120 PolarHBondContact O-N 3.12Å; V118-S120 VanDerWaalsContact O-N 3.09Å; V118-V146 HydrophobicContact CB-CG1 4.34Å; V118-V146 HydrophobicContact CG1-CG1 4.19Å; V118-V146 HydrophobicContact CG2-CG1 4.26Å; V118-D148 HydrophobicContact CG1-CB 4.08Å; V118-L153 HydrophobicContact CG1-CD2 4.21Å; V118-L153 HydrophobicContact CG2-CD2 4.39Å
119	H	98.7	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	106.8	-177.5	-178.8	-84.3	0	0	0	109.6	F86 Y88 G117 E126 I132 V145 V146 D148	F86-H119 HydrophobicContact CD1-CB 4.46Å; F86-H119 HydrophobicContact CE1-CB 3.85Å; F86-H119 HydrophobicContact CZ-CB 4.28Å; F86-H119 CarbonylContact O-C 3.48Å; F86-H119 WeakPolarHBondContact O-CA 3.42Å; Y88-H119 AromaticContact CD1-NE2 3.35Å; Y88-H119 VanDerWaalsContact CD1-NE2 3.35Å; Y88-H119 WeakPolarHBondContact CD1-NE2 3.37Å; Y88-H119 AromaticContact CE1-NE2 3.88Å; G117-H119 PolarHBondContact O-N 3.32Å; H119-E126 PolarHBondContact CE1-O 2.98Å; H119-I132 WeakPolarHBondContact ND1-CD1 3.49Å; H119-V145 HydrophobicContact CB-CG1 4.07Å; H119-V146 WeakPolarHBondContact CB-O 3.41Å; H119-V146 PolarHBondContact N-O 3Å; H119-D148 CarbonylContact O-C 3.56Å; H119-D148 PolarHBondContact O-N 3.17Å; H119-D148 VanDerWaalsContact O-N 3.08Å
120	S	97.8	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.			trans	-113.1	94	-179.1	-60.6	0	0	0	0	109.2	F86 V118 W162	F86-S120 PolarHBondContact O-N 3.28Å; V118-S120 PolarHBondContact O-N 3.12Å; V118-S120 VanDerWaalsContact O-N 3.09Å; S120-W162 WeakPolarHBondContact O-CZ2 3.35Å; S120-W162 PolarHBondContact O-NE1 3.34Å
121	A	96.6	Very high	97.6	Very high	14 Å²	14	23.4 Å²	23.4	12%	0.116	13%	0.128	C	C	.	.			trans	-57.6	135.4	-169.8	0	0	0	0	0	113.7	E126 K127	A121-E126 HydrophobicContact CB-CB 3.84Å; A121-K127 HydrophobicContact CB-CG 3.76Å
122	K	95.8	Very high	97.7	Very high	20 Å²	20	20.6 Å²	20.6	9%	0.087	11%	0.113	C	C	.	.	S	Bend	trans	-84.7	-45.1	167	173.8	173.3	175.8	173.3	0	111.4	T87 E126 W162 E432 L459 F460 F462	T87-K122 HydrophobicContact CG2-CB 4.14Å; T87-K122 PolarHBondContact OG1-N 3.06Å; K122-E126 PolarHBondContact N-OE2 2.88Å; K122-W162 HydrophobicContact CB-CH2 4.01Å; K122-W162 HydrophobicContact CB-CZ2 4.26Å; K122-W162 HydrophobicContact CB-CZ3 4.31Å; K122-W162 HydrophobicContact CD-CZ3 4.4Å; K122-W162 HydrophobicContact CG-CH2 4.39Å; K122-W162 HydrophobicContact CG-CZ3 4.4Å; K122-E432 WeakPolarHBondContact CD-OE2 3.44Å; K122-E432 WeakPolarHBondContact CE-OE2 3.42Å; K122-E432 IonicContact NZ-OE2 3.74Å; K122-E432 PolarHBondContact NZ-OE2 2.85Å; K122-L459 VanDerWaalsContact CE-O 3.27Å; K122-L459 WeakPolarHBondContact CE-O 3.43Å; K122-L459 PolarHBondContact NZ-O 3.28Å; K122-F460 HydrophobicContact CD-CE1 4.4Å; K122-F460 HydrophobicContact CG-CD1 4.36Å; K122-F460 HydrophobicContact CG-CE1 3.99Å; K122-F462 WeakPolarHBondContact O-CZ 3.37Å
123	F	97.3	Very high	97.6	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.121	C	C	.	.	S	Bend	trans	-103.8	151.5	-176.8	-63.8	-83	0	0	0	112.2	C89 N125 E126 E432 F462 Q475 H476 Y495	C89-F123 HydrophobicContact CB-CD2 4.06Å; C89-F123 HydrophobicContact CB-CE2 4.04Å; F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 3.38Å; F123-E126 HydrophobicContact CB-CG 4.17Å; F123-E126 WeakPolarHBondContact CB-OE2 3.31Å; F123-E126 VanDerWaalsContact CD2-OE2 3.3Å; F123-E126 WeakPolarHBondContact CD2-OE2 3.46Å; F123-E126 PolarHBondContact N-OE2 3.03Å; F123-E126 PolarHBondContact O-N 3.14Å; F123-E126 VanDerWaalsContact O-N 3.1Å; F123-E432 WeakPolarHBondContact CE2-OE1 3.38Å; F123-F462 HydrophobicContact CD1-CB 4.01Å; F123-F462 AromaticContact CD1-CD1 3.4Å; F123-F462 HydrophobicContact CD1-CD1 3.4Å; F123-F462 VanDerWaalsContact CD1-CD1 3.4Å; F123-F462 HydrophobicContact CD1-CD2 4.06Å; F123-F462 AromaticContact CD1-CE1 3.77Å; F123-F462 HydrophobicContact CD1-CE1 3.77Å; F123-F462 HydrophobicContact CD1-CE2 4.41Å; F123-F462 AromaticContact CD1-CG 3.55Å; F123-F462 HydrophobicContact CD1-CG 3.55Å; F123-F462 HydrophobicContact CD1-CZ 4.26Å; F123-F462 HydrophobicContact CE1-CB 3.78Å; F123-F462 AromaticContact CE1-CD1 3.25Å; F123-F462 HydrophobicContact CE1-CD1 3.25Å; F123-F462 AromaticContact CE1-CE1 3.92Å; F123-F462 HydrophobicContact CE1-CE1 3.92Å; F123-F462 AromaticContact CE1-CG 3.63Å; F123-F462 HydrophobicContact CE1-CG 3.63Å; F123-F462 HydrophobicContact CZ-CD1 4.31Å; F123-Q475 HydrophobicContact CB-CG 4.33Å; F123-Q475 HydrophobicContact CD1-CG 3.66Å; F123-Q475 HydrophobicContact CE1-CG 4.35Å; F123-Q475 HydrophobicContact CG-CG 4.28Å; F123-H476 HydrophobicContact CE2-CB 4.29Å; F123-H476 AromaticContact CE2-ND1 3.66Å; F123-H476 HydrophobicContact CZ-CB 4.25Å; F123-H476 AromaticContact CZ-ND1 3.98Å; F123-Y495 HydrophobicContact CB-CD2 3.89Å; F123-Y495 HydrophobicContact CB-CE2 4.26Å; F123-Y495 HydrophobicContact CD2-CD2 4.09Å; F123-Y495 AromaticContact CD2-CE2 3.88Å; F123-Y495 HydrophobicContact CD2-CE2 3.88Å; F123-Y495 AromaticContact CG-CD2 4Å; F123-Y495 HydrophobicContact CG-CD2 4Å; F123-Y495 HydrophobicContact CG-CE2 4.24Å
124	P	98	Very high	97.5	Very high	66 Å²	66	23.2 Å²	23.2	43%	0.429	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-54.9	-40.2	176.2	-27.7	35.1	0	0	0	114.1	E126 K127 F462	P124-E126 PolarHBondContact O-N 3.35Å; P124-K127 WeakPolarHBondContact O-CB 3.32Å; P124-K127 PolarHBondContact O-N 3.38Å; P124-K127 VanDerWaalsContact O-N 3.11Å; P124-F462 VanDerWaalsContact CD-CE2 3.41Å; P124-F462 HydrophobicContact CG-CD2 4.49Å; P124-F462 HydrophobicContact CG-CE2 3.94Å
125	N	97.8	Very high	97.3	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.8	177.9	177.8	63.2	0	0	0	113.3	Y88 F123 K127 V128 N131 Q475 Y495 H497 E533	Y88-N125 PolarHBondContact OH-ND2 3.49Å; Y88-N125 VanDerWaalsContact OH-ND2 3.07Å; F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 3.38Å; N125-K127 PolarHBondContact O-N 2.96Å; N125-V128 PolarHBondContact O-N 3.45Å; N125-N131 PolarHBondContact O-ND2 3.27Å; N125-N131 PolarHBondContact OD1-ND2 3.21Å; N125-Q475 VanDerWaalsContact CB-OE1 3.23Å; N125-Y495 HydrophobicContact CB-CD2 3.99Å; N125-Y495 HydrophobicContact CB-CG 3.87Å; N125-Y495 WeakPolarHBondContact ND2-CD1 3.43Å; N125-H497 PolarHBondContact OD1-CE1 3.37Å; N125-H497 PolarHBondContact OD1-NE2 2.73Å; N125-E533 PolarHBondContact ND2-OE1 3.31Å
126	E	97.2	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-75.9	-11.4	-177.4	-53.2	176.1	100.5	0	0	112.5	T87 Y88 C89 H119 A121 K122 F123 P124 V128 I132 Y495	T87-E126 PolarHBondContact OG1-OE1 2.78Å; T87-E126 PolarHBondContact OG1-OE2 3.29Å; Y88-E126 HydrophobicContact CD1-CB 4.43Å; Y88-E126 HydrophobicContact CD1-CG 4.36Å; Y88-E126 HydrophobicContact CE1-CB 3.68Å; Y88-E126 HydrophobicContact CE1-CG 3.68Å; Y88-E126 HydrophobicContact CE2-CG 4.16Å; Y88-E126 PolarHBondContact N-OE1 3.21Å; C89-E126 VanDerWaalsContact CB-OE1 3.25Å; C89-E126 WeakPolarHBondContact CB-OE1 3.48Å; C89-E126 PolarHBondContact N-OE1 2.72Å; C89-E126 VanDerWaalsContact SG-CD 3.58Å; C89-E126 PolarHBondContact SG-OE1 2.72Å; C89-E126 PolarHBondContact SG-OE2 3.45Å; C89-E126 VanDerWaalsContact SG-OE2 3.41Å; H119-E126 PolarHBondContact CE1-O 2.98Å; A121-E126 HydrophobicContact CB-CB 3.84Å; K122-E126 PolarHBondContact N-OE2 2.88Å; F123-E126 HydrophobicContact CB-CG 4.17Å; F123-E126 WeakPolarHBondContact CB-OE2 3.31Å; F123-E126 VanDerWaalsContact CD2-OE2 3.3Å; F123-E126 WeakPolarHBondContact CD2-OE2 3.46Å; F123-E126 PolarHBondContact N-OE2 3.03Å; F123-E126 PolarHBondContact O-N 3.14Å; F123-E126 VanDerWaalsContact O-N 3.1Å; P124-E126 PolarHBondContact O-N 3.35Å; E126-V128 VanDerWaalsContact C-N 3.26Å; E126-V128 PolarHBondContact O-N 3.33Å; E126-I132 VanDerWaalsContact O-CD1 3.28Å; E126-I132 WeakPolarHBondContact O-CD1 3.3Å; E126-I132 WeakPolarHBondContact O-CG1 3.25Å; E126-Y495 HydrophobicContact CG-CD2 4.43Å; E126-Y495 HydrophobicContact CG-CE2 3.79Å
127	K	97.6	Very high	96.9	Very high	85 Å²	85	24 Å²	24	37%	0.37	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-73.2	-18.8	174.4	-62.7	-169.4	175	-140.7	0	113.1	A121 P124 N125 N147 A149 D150	A121-K127 HydrophobicContact CB-CG 3.76Å; P124-K127 WeakPolarHBondContact O-CB 3.32Å; P124-K127 PolarHBondContact O-N 3.38Å; P124-K127 VanDerWaalsContact O-N 3.11Å; N125-K127 PolarHBondContact O-N 2.96Å; K127-N147 PolarHBondContact O-ND2 3.47Å; K127-A149 HydrophobicContact CB-CB 3.94Å; K127-A149 HydrophobicContact CD-CB 4.26Å; K127-A149 WeakPolarHBondContact CE-O 3.32Å; K127-A149 HydrophobicContact CG-CB 4.01Å; K127-A149 PolarHBondContact NZ-O 3.05Å; K127-D150 IonicContact NZ-OD1 2.75Å; K127-D150 PolarHBondContact NZ-OD1 3.2Å; K127-D150 VanDerWaalsContact NZ-OD1 3.14Å
128	V	97.9	Very high	96.7	Very high	75 Å²	75	26.1 Å²	26.1	46%	0.455	14%	0.139	S	C	.	.	S	Bend	trans	-80.6	121.1	-177.4	-179.1	0	0	0	0	109.8	N125 E126 D130 N131 I132	N125-V128 PolarHBondContact O-N 3.45Å; E126-V128 VanDerWaalsContact C-N 3.26Å; E126-V128 PolarHBondContact O-N 3.33Å; V128-D130 PolarHBondContact O-N 3.41Å; V128-N131 HydrophobicContact CB-CB 4.44Å; V128-N131 WeakPolarHBondContact O-CB 3.42Å; V128-N131 PolarHBondContact O-N 3.04Å; V128-I132 PolarHBondContact O-N 3.13Å
129	L	97.1	Very high	96.5	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.199	15%	0.148	C	C	.	.	H	α-helix	trans	-55.3	-44.8	-173.9	-175.1	68.8	0	0	0	113.6	E62 L64 N131 I132 K133 N147	E62-L129 HydrophobicContact CB-CD1 3.74Å; E62-L129 HydrophobicContact CB-CD2 3.9Å; E62-L129 HydrophobicContact CB-CG 4.34Å; E62-L129 HydrophobicContact CG-CD2 4.2Å; E62-L129 WeakPolarHBondContact OE1-CD2 3.29Å; L64-L129 HydrophobicContact CD1-CD1 4.05Å; L64-L129 HydrophobicContact CD2-CD1 3.98Å; L64-L129 HydrophobicContact CD2-CG 4.33Å; L64-L129 HydrophobicContact CG-CD1 3.9Å; L129-N131 PolarHBondContact O-N 2.66Å; L129-I132 PolarHBondContact O-N 3.33Å; L129-I132 VanDerWaalsContact O-N 3.15Å; L129-K133 VanDerWaalsContact O-CB 3.27Å; L129-K133 WeakPolarHBondContact O-CB 3.22Å; L129-K133 PolarHBondContact O-N 2.69Å; L129-N147 HydrophobicContact CD1-CB 4.18Å
130	D	95.7	Very high	96.3	Very high	98 Å²	98	32.1 Å²	32.1	52%	0.524	17%	0.168	S	C	.	.	H	α-helix	trans	-64.1	-25.7	-178.2	-84.6	-36.4	0	0	0	113	V128 K133 S134	V128-D130 PolarHBondContact O-N 3.41Å; D130-K133 WeakPolarHBondContact OD1-CD 3.29Å; D130-K133 IonicContact OD1-NZ 2.72Å; D130-K133 PolarHBondContact OD1-NZ 3.32Å; D130-S134 PolarHBondContact O-N 3.31Å; D130-S134 PolarHBondContact O-OG 3.24Å
131	N	97.1	Very high	96.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-75.8	-42.7	174.1	-64.1	-19.1	0	0	0	110.9	N125 V128 L129 K133 S134 A135	N125-N131 PolarHBondContact O-ND2 3.27Å; N125-N131 PolarHBondContact OD1-ND2 3.21Å; V128-N131 HydrophobicContact CB-CB 4.44Å; V128-N131 WeakPolarHBondContact O-CB 3.42Å; V128-N131 PolarHBondContact O-N 3.04Å; L129-N131 PolarHBondContact O-N 2.66Å; N131-K133 VanDerWaalsContact C-N 3.28Å; N131-K133 PolarHBondContact O-N 2.86Å; N131-S134 WeakPolarHBondContact O-CB 3.4Å; N131-S134 PolarHBondContact O-N 3.47Å; N131-A135 PolarHBondContact O-N 3.47Å
132	I	97.6	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-43.4	173	-55.7	169.7	0	0	0	110.1	L64 Y88 H119 E126 V128 L129 S134 A135 V136 V145 N147	L64-I132 HydrophobicContact CD1-CB 4.2Å; L64-I132 HydrophobicContact CD1-CG2 3.78Å; Y88-I132 HydrophobicContact CE1-CG1 4.18Å; H119-I132 WeakPolarHBondContact ND1-CD1 3.49Å; E126-I132 VanDerWaalsContact O-CD1 3.28Å; E126-I132 WeakPolarHBondContact O-CD1 3.3Å; E126-I132 WeakPolarHBondContact O-CG1 3.25Å; V128-I132 PolarHBondContact O-N 3.13Å; L129-I132 PolarHBondContact O-N 3.33Å; L129-I132 VanDerWaalsContact O-N 3.15Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.23Å; I132-A135 CarbonylContact O-C 3.53Å; I132-A135 WeakPolarHBondContact O-CA 3.39Å; I132-A135 WeakPolarHBondContact O-CB 3.43Å; I132-A135 PolarHBondContact O-N 2.91Å; I132-V136 HydrophobicContact CG2-CG2 4.39Å; I132-V136 WeakPolarHBondContact O-CG2 3.45Å; I132-V136 PolarHBondContact O-N 2.86Å; I132-V145 HydrophobicContact CG2-CG1 4.32Å; I132-N147 HydrophobicContact CD1-CB 3.78Å; I132-N147 WeakPolarHBondContact CD1-OD1 3.44Å
133	K	96.1	Very high	96.2	Very high	39 Å²	39	32 Å²	32	17%	0.17	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-41.1	176.7	-173.9	-174.5	-169	-154.2	0	112.1	L64 L129 D130 N131 V136 L137 Y214	L64-K133 HydrophobicContact CD1-CB 4.09Å; L64-K133 HydrophobicContact CD2-CB 4.11Å; L64-K133 HydrophobicContact CD2-CD 4.42Å; L64-K133 HydrophobicContact CD2-CG 4.08Å; L129-K133 VanDerWaalsContact O-CB 3.27Å; L129-K133 WeakPolarHBondContact O-CB 3.22Å; L129-K133 PolarHBondContact O-N 2.69Å; D130-K133 WeakPolarHBondContact OD1-CD 3.29Å; D130-K133 IonicContact OD1-NZ 2.72Å; D130-K133 PolarHBondContact OD1-NZ 3.32Å; N131-K133 VanDerWaalsContact C-N 3.28Å; N131-K133 PolarHBondContact O-N 2.86Å; K133-V136 PolarHBondContact O-N 2.85Å; K133-L137 WeakPolarHBondContact O-CG 3.21Å; K133-L137 PolarHBondContact O-N 3.25Å; K133-Y214 HydrophobicContact CD-CD1 4.23Å; K133-Y214 HydrophobicContact CD-CE1 4.02Å; K133-Y214 HydrophobicContact CD-CE2 4.48Å; K133-Y214 VanDerWaalsContact CE-CD2 3.43Å; K133-Y214 WeakPolarHBondContact CE-OH 3.26Å; K133-Y214 HydrophobicContact CG-CD1 3.72Å; K133-Y214 HydrophobicContact CG-CE1 3.93Å; K133-Y214 HydrophobicContact CG-CG 4.17Å; K133-Y214 PolarHBondContact NZ-OH 3.07Å
134	S	95.5	Very high	96.3	Very high	20 Å²	20	31.9 Å²	31.9	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-42.9	171	-62.5	0	0	0	0	111.4	D130 N131 I132 L137 R138	D130-S134 PolarHBondContact O-N 3.31Å; D130-S134 PolarHBondContact O-OG 3.24Å; N131-S134 WeakPolarHBondContact O-CB 3.4Å; N131-S134 PolarHBondContact O-N 3.47Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.23Å; S134-L137 WeakPolarHBondContact O-CB 3.46Å; S134-L137 PolarHBondContact O-N 2.95Å; S134-R138 WeakPolarHBondContact O-CG 3.25Å; S134-R138 PolarHBondContact O-N 2.8Å
135	A	95.6	Very high	96.3	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-41	176.8	0	0	0	0	0	113.5	Y88 N131 I132 L137 R138 Y139	Y88-A135 HydrophobicContact CD1-CB 3.6Å; Y88-A135 HydrophobicContact CD2-CB 3.7Å; Y88-A135 HydrophobicContact CE1-CB 4.19Å; Y88-A135 HydrophobicContact CE2-CB 4.26Å; Y88-A135 HydrophobicContact CG-CB 3.34Å; N131-A135 PolarHBondContact O-N 3.47Å; I132-A135 CarbonylContact O-C 3.53Å; I132-A135 WeakPolarHBondContact O-CA 3.39Å; I132-A135 WeakPolarHBondContact O-CB 3.43Å; I132-A135 PolarHBondContact O-N 2.91Å; A135-L137 PolarHBondContact O-N 3.43Å; A135-R138 PolarHBondContact O-N 3.13Å; A135-R138 VanDerWaalsContact O-N 3.15Å; A135-Y139 HydrophobicContact CB-CD2 4.32Å; A135-Y139 HydrophobicContact CB-CE2 4.35Å; A135-Y139 VanDerWaalsContact O-CD2 3.3Å; A135-Y139 WeakPolarHBondContact O-CD2 3.48Å; A135-Y139 PolarHBondContact O-N 3.05Å
136	V	95.5	Very high	96.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-55.3	-41.4	173.3	162.1	0	0	0	0	110.5	L64 I132 K133 N140 I141 V145	L64-V136 HydrophobicContact CD1-CG2 4.04Å; I132-V136 HydrophobicContact CG2-CG2 4.39Å; I132-V136 WeakPolarHBondContact O-CG2 3.45Å; I132-V136 PolarHBondContact O-N 2.86Å; K133-V136 PolarHBondContact O-N 2.85Å; V136-N140 CarbonylContact O-C 3.46Å; V136-N140 WeakPolarHBondContact O-CA 3.41Å; V136-N140 PolarHBondContact O-N 3.04Å; V136-N140 VanDerWaalsContact O-N 3.07Å; V136-I141 HydrophobicContact CB-CB 4.45Å; V136-I141 HydrophobicContact CG1-CB 4.18Å; V136-I141 WeakPolarHBondContact CG1-O 3.45Å; V136-I141 HydrophobicContact CG2-CB 4.36Å; V136-I141 HydrophobicContact CG2-CD1 4.4Å; V136-I141 PolarHBondContact O-N 3.08Å; V136-V145 HydrophobicContact CG2-CG2 4.16Å
137	L	93.9	Very high	96.4	Very high	28 Å²	28	28.7 Å²	28.7	15%	0.147	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-46.6	174.8	-65.3	168	0	0	0	112.4	K133 S134 A135 Y139 N140 Y214 K215 L218 F225	K133-L137 WeakPolarHBondContact O-CG 3.21Å; K133-L137 PolarHBondContact O-N 3.25Å; S134-L137 WeakPolarHBondContact O-CB 3.46Å; S134-L137 PolarHBondContact O-N 2.95Å; A135-L137 PolarHBondContact O-N 3.43Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 2.76Å; L137-N140 PolarHBondContact O-N 3.01Å; L137-Y214 HydrophobicContact CD1-CD1 3.67Å; L137-Y214 HydrophobicContact CD1-CE1 3.84Å; L137-Y214 HydrophobicContact CD2-CD1 3.95Å; L137-Y214 HydrophobicContact CG-CD1 4.02Å; L137-K215 VanDerWaalsContact CD2-CA 3.48Å; L137-K215 HydrophobicContact CD2-CB 3.61Å; L137-L218 HydrophobicContact CD1-CD1 3.63Å; L137-L218 HydrophobicContact CD1-CD2 4Å; L137-L218 HydrophobicContact CD1-CG 4.23Å; L137-L218 HydrophobicContact CD2-CD1 3.66Å; L137-L218 HydrophobicContact CD2-CG 4.44Å; L137-L218 HydrophobicContact CG-CD1 4.16Å; L137-F225 HydrophobicContact CB-CE2 3.68Å; L137-F225 HydrophobicContact CB-CZ 3.74Å; L137-F225 HydrophobicContact CD1-CE2 4.42Å; L137-F225 HydrophobicContact CD1-CZ 3.98Å
138	R	93.7	Very high	96.4	Very high	44 Å²	44	24.8 Å²	24.8	17%	0.166	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-43.9	-179.6	-78.2	-171.7	-75.1	111.1	-12.8	112.4	S134 A135 F225 E533 N552	S134-R138 WeakPolarHBondContact O-CG 3.25Å; S134-R138 PolarHBondContact O-N 2.8Å; A135-R138 PolarHBondContact O-N 3.13Å; A135-R138 VanDerWaalsContact O-N 3.15Å; R138-F225 HydrophobicContact CG-CB 3.83Å; R138-F225 HydrophobicContact CG-CD1 3.39Å; R138-F225 HydrophobicContact CG-CD2 3.67Å; R138-F225 HydrophobicContact CG-CE1 3.72Å; R138-F225 HydrophobicContact CG-CE2 4.01Å; R138-F225 HydrophobicContact CG-CG 3.35Å; R138-F225 HydrophobicContact CG-CZ 4.03Å; R138-E533 IonicContact CZ-OE2 2.71Å; R138-E533 IonicContact NH2-OE2 2.87Å; R138-E533 PolarHBondContact NH2-OE2 2.72Å; R138-N552 PolarHBondContact NE-OD1 3.23Å
139	Y	93.7	Very high	96.2	Very high	49 Å²	49	22.1 Å²	22.1	19%	0.192	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	8.8	-177.9	-55.1	-58.1	0	0	0	113.1	Y88 I94 L97 A135 L137 I141	Y88-Y139 PolarHBondContact O-OH 3.05Å; I94-Y139 HydrophobicContact CD1-CE1 3.84Å; I94-Y139 HydrophobicContact CD1-CE2 4.25Å; I94-Y139 VanDerWaalsContact CD1-OH 3.26Å; I94-Y139 WeakPolarHBondContact CD1-OH 3.22Å; I94-Y139 HydrophobicContact CG1-CE1 4.12Å; I94-Y139 HydrophobicContact CG1-CE2 4.27Å; I94-Y139 HydrophobicContact CG2-CD1 4.27Å; I94-Y139 HydrophobicContact CG2-CE1 4.19Å; L97-Y139 HydrophobicContact CD1-CG 4.16Å; A135-Y139 HydrophobicContact CB-CD2 4.32Å; A135-Y139 HydrophobicContact CB-CE2 4.35Å; A135-Y139 VanDerWaalsContact O-CD2 3.3Å; A135-Y139 WeakPolarHBondContact O-CD2 3.48Å; A135-Y139 PolarHBondContact O-N 3.05Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 2.76Å; Y139-I141 VanDerWaalsContact C-N 3.26Å; Y139-I141 PolarHBondContact O-N 2.95Å
140	N	93.9	Very high	96	Very high	78 Å²	78	25.9 Å²	25.9	42%	0.417	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	38.5	178.4	-179.8	55.5	0	0	0	113.9	H101 V136 L137 T142 K215	H101-N140 PolarHBondContact CE1-O 2.72Å; H101-N140 PolarHBondContact NE2-O 2.75Å; V136-N140 CarbonylContact O-C 3.46Å; V136-N140 WeakPolarHBondContact O-CA 3.41Å; V136-N140 PolarHBondContact O-N 3.04Å; V136-N140 VanDerWaalsContact O-N 3.07Å; L137-N140 PolarHBondContact O-N 3.01Å; N140-T142 PolarHBondContact O-N 2.74Å; N140-K215 PolarHBondContact OD1-NZ 3Å
141	I	96.2	Very high	96	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	12%	0.116	C	C	.	.			trans	-66.3	118.2	177.4	-60.8	176.1	0	0	0	109.4	N65 F86 L97 V136 Y139 H143 V145	N65-I141 PolarHBondContact ND2-O 2.86Å; F86-I141 HydrophobicContact CE2-CD1 3.78Å; F86-I141 HydrophobicContact CZ-CD1 3.97Å; L97-I141 HydrophobicContact CD1-CD1 4.13Å; L97-I141 HydrophobicContact CD1-CG1 4.11Å; L97-I141 HydrophobicContact CD2-CD1 4Å; L97-I141 HydrophobicContact CD2-CG1 4.06Å; V136-I141 HydrophobicContact CB-CB 4.45Å; V136-I141 HydrophobicContact CG1-CB 4.18Å; V136-I141 WeakPolarHBondContact CG1-O 3.45Å; V136-I141 HydrophobicContact CG2-CB 4.36Å; V136-I141 HydrophobicContact CG2-CD1 4.4Å; V136-I141 PolarHBondContact O-N 3.08Å; Y139-I141 VanDerWaalsContact C-N 3.26Å; Y139-I141 PolarHBondContact O-N 2.95Å; I141-H143 WeakPolarHBondContact CG2-CD2 3.11Å; I141-H143 WeakPolarHBondContact CG2-NE2 3.32Å; I141-V145 HydrophobicContact CG2-CG2 3.81Å
142	T	95.9	Very high	95.9	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.135	13%	0.126	C	C	.	.			trans	-106.8	-7.4	-175.6	44.9	0	0	0	0	115	H101 E104 N140 L213	H101-T142 PolarHBondContact CE1-OG1 3.03Å; H101-T142 VanDerWaalsContact CE1-OG1 3.24Å; H101-T142 PolarHBondContact ND1-OG1 2.75Å; E104-T142 PolarHBondContact OE2-OG1 3.09Å; N140-T142 PolarHBondContact O-N 2.74Å; T142-L213 HydrophobicContact CG2-CD1 4.24Å; T142-L213 VanDerWaalsContact O-CD2 3.23Å; T142-L213 WeakPolarHBondContact O-CD2 3.34Å
143	H	97.3	Very high	95.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	13%	0.127	C	C	.	.	S	Bend	trans	-89.4	162.7	174.3	50.9	-126.3	0	0	0	111.9	N65 I115 I141	N65-H143 WeakPolarHBondContact CB-O 3.5Å; N65-H143 PolarHBondContact ND2-O 3.21Å; I115-H143 HydrophobicContact CB-CB 4.11Å; I115-H143 HydrophobicContact CG2-CB 4.44Å; I141-H143 WeakPolarHBondContact CG2-CD2 3.11Å; I141-H143 WeakPolarHBondContact CG2-NE2 3.32Å
144	P	98.2	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.			trans	-50.2	139.5	171.2	-31.6	37.3	0	0	0	113.9	W63 T66 I70 L114 I115 I116 G117	W63-P144 HydrophobicContact CE3-CB 4.5Å; W63-P144 HydrophobicContact CZ3-CB 4.24Å; T66-P144 HydrophobicContact CG2-CB 3.54Å; T66-P144 HydrophobicContact CG2-CG 3.81Å; I70-P144 HydrophobicContact CD1-CB 4Å; I70-P144 HydrophobicContact CD1-CG 3.98Å; L114-P144 HydrophobicContact CD1-CG 4.24Å; I115-P144 WeakPolarHBondContact O-CD 3.35Å; I116-P144 WeakPolarHBondContact CA-O 3.44Å; I116-P144 HydrophobicContact CG1-CB 4.35Å; G117-P144 PolarHBondContact N-O 2.98Å
145	V	98.4	Very high	95.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.2	175.4	177.8	0	0	0	0	109.6	W63 L64 F86 G117 H119 I132 V136 I141	W63-V145 CarbonylContact C-O 3.53Å; W63-V145 WeakPolarHBondContact CA-O 3.18Å; L64-V145 HydrophobicContact CB-CB 4.26Å; L64-V145 PolarHBondContact N-O 3.01Å; L64-V145 PolarHBondContact O-N 2.96Å; F86-V145 HydrophobicContact CE1-CG1 4.15Å; F86-V145 HydrophobicContact CZ-CG1 4.21Å; G117-V145 CarbonylContact O-C 3.59Å; G117-V145 VanDerWaalsContact O-CA 3.3Å; G117-V145 WeakPolarHBondContact O-CA 3.27Å; H119-V145 HydrophobicContact CB-CG1 4.07Å; I132-V145 HydrophobicContact CG2-CG1 4.32Å; V136-V145 HydrophobicContact CG2-CG2 4.16Å; I141-V145 HydrophobicContact CG2-CG2 3.81Å
146	V	98.4	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.6	173.5	61.7	0	0	0	0	110.2	F57 L61 W63 I116 G117 V118 H119 D148	F57-V146 HydrophobicContact CD1-CG1 4.22Å; F57-V146 HydrophobicContact CE1-CG1 4.04Å; L61-V146 HydrophobicContact CB-CG2 3.7Å; L61-V146 HydrophobicContact CD1-CG2 3.73Å; L61-V146 HydrophobicContact CG-CG2 4.39Å; W63-V146 HydrophobicContact CD2-CB 3.78Å; W63-V146 HydrophobicContact CD2-CG2 3.99Å; W63-V146 HydrophobicContact CE3-CB 3.86Å; W63-V146 HydrophobicContact CG-CG2 4.41Å; W63-V146 HydrophobicContact CH2-CB 3.75Å; W63-V146 HydrophobicContact CH2-CG1 4.1Å; W63-V146 HydrophobicContact CH2-CG2 4.33Å; W63-V146 HydrophobicContact CZ2-CB 3.67Å; W63-V146 HydrophobicContact CZ2-CG1 4.27Å; W63-V146 HydrophobicContact CZ2-CG2 3.73Å; W63-V146 HydrophobicContact CZ3-CB 3.85Å; W63-V146 HydrophobicContact CZ3-CG1 4.42Å; I116-V146 HydrophobicContact CG2-CG1 4.28Å; G117-V146 PolarHBondContact O-N 3Å; V118-V146 HydrophobicContact CB-CG1 4.34Å; V118-V146 HydrophobicContact CG1-CG1 4.19Å; V118-V146 HydrophobicContact CG2-CG1 4.26Å; H119-V146 WeakPolarHBondContact CB-O 3.41Å; H119-V146 PolarHBondContact N-O 3Å; V146-D148 PolarHBondContact O-N 3.2Å
147	N	98.4	Very high	95.6	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.032	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	84.3	173.9	-175.9	17.7	0	0	0	110.6	E62 K127 L129 I132 A149	E62-N147 HydrophobicContact CB-CB 4.35Å; E62-N147 PolarHBondContact O-N 3.28Å; E62-N147 PolarHBondContact OE2-ND2 3.35Å; K127-N147 PolarHBondContact O-ND2 3.47Å; L129-N147 HydrophobicContact CD1-CB 4.18Å; I132-N147 HydrophobicContact CD1-CB 3.78Å; I132-N147 WeakPolarHBondContact CD1-OD1 3.44Å; N147-A149 PolarHBondContact O-N 3.43Å; N147-A149 VanDerWaalsContact O-N 3.1Å
148	D	97.4	Very high	95.7	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.189	C	C	.	.			trans	-84.5	67.1	170.2	-176.9	23.7	0	0	0	109.7	L61 V118 H119 V146 D150 A151 S152 L153	L61-D148 HydrophobicContact CD1-CB 4.25Å; V118-D148 HydrophobicContact CG1-CB 4.08Å; H119-D148 CarbonylContact O-C 3.56Å; H119-D148 PolarHBondContact O-N 3.17Å; H119-D148 VanDerWaalsContact O-N 3.08Å; V146-D148 PolarHBondContact O-N 3.2Å; D148-D150 PolarHBondContact O-N 3.28Å; D148-D150 VanDerWaalsContact O-N 3.16Å; D148-A151 WeakPolarHBondContact O-CA 3.36Å; D148-A151 PolarHBondContact O-N 3.02Å; D148-A151 PolarHBondContact OD1-N 3.43Å; D148-A151 WeakPolarHBondContact OD2-CA 3.06Å; D148-S152 PolarHBondContact OD1-N 3Å; D148-S152 PolarHBondContact OD1-OG 3.43Å; D148-S152 PolarHBondContact OD2-N 3.11Å; D148-L153 WeakPolarHBondContact OD2-CB 3.5Å; D148-L153 PolarHBondContact OD2-N 3.47Å
149	A	94.2	Very high	95.8	Very high	19 Å²	19	36.2 Å²	36.2	16%	0.157	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27	-171.3	0	0	0	0	0	114.3	K127 N147	K127-A149 HydrophobicContact CB-CB 3.94Å; K127-A149 HydrophobicContact CD-CB 4.26Å; K127-A149 WeakPolarHBondContact CE-O 3.32Å; K127-A149 HydrophobicContact CG-CB 4.01Å; K127-A149 PolarHBondContact NZ-O 3.05Å; N147-A149 PolarHBondContact O-N 3.43Å; N147-A149 VanDerWaalsContact O-N 3.1Å
150	D	94.3	Very high	95.7	Very high	117 Å²	117	39 Å²	39	63%	0.626	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	3.1	176.2	-69.2	-32.9	0	0	0	112.9	K127 D148 S152 Q155	K127-D150 IonicContact NZ-OD1 2.75Å; K127-D150 PolarHBondContact NZ-OD1 3.2Å; K127-D150 VanDerWaalsContact NZ-OD1 3.14Å; D148-D150 PolarHBondContact O-N 3.28Å; D148-D150 VanDerWaalsContact O-N 3.16Å; D150-S152 PolarHBondContact O-N 3.3Å; D150-Q155 PolarHBondContact O-NE2 2.82Å
151	A	94.7	Very high	95.6	Very high	15 Å²	15	37.4 Å²	37.4	12%	0.124	21%	0.206	C	C	.	.			trans	52.4	42.8	178.5	0	0	0	0	0	111.3	D148 W154 Q155	D148-A151 WeakPolarHBondContact O-CA 3.36Å; D148-A151 PolarHBondContact O-N 3.02Å; D148-A151 PolarHBondContact OD1-N 3.43Å; D148-A151 WeakPolarHBondContact OD2-CA 3.06Å; A151-W154 HydrophobicContact CB-CB 3.9Å; A151-W154 HydrophobicContact CB-CG 4.24Å; A151-W154 WeakPolarHBondContact O-CB 3.46Å; A151-Q155 WeakPolarHBondContact O-CB 3.39Å; A151-Q155 WeakPolarHBondContact O-CG 3.28Å; A151-Q155 PolarHBondContact O-N 3.1Å; A151-Q155 PolarHBondContact O-NE2 3.11Å; A151-Q155 VanDerWaalsContact O-NE2 3.14Å
152	S	94.9	Very high	95.7	Very high	33 Å²	33	39.4 Å²	39.4	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-46.9	-176.8	59.2	0	0	0	0	111.3	P58 D148 D150 W154 Q155 E156	P58-S152 WeakPolarHBondContact CG-OG 3.2Å; D148-S152 PolarHBondContact OD1-N 3Å; D148-S152 PolarHBondContact OD1-OG 3.43Å; D148-S152 PolarHBondContact OD2-N 3.11Å; D150-S152 PolarHBondContact O-N 3.3Å; S152-W154 VanDerWaalsContact C-N 3.34Å; S152-Q155 PolarHBondContact O-N 3.26Å; S152-E156 PolarHBondContact O-N 2.78Å
153	L	94.6	Very high	95.8	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-38.1	179.8	-148.7	78	0	0	0	110.6	P55 F57 L83 F85 V118 D148 L157	P55-L153 HydrophobicContact CB-CD1 3.82Å; P55-L153 HydrophobicContact CG-CD1 4.42Å; F57-L153 HydrophobicContact CD1-CD2 3.98Å; F57-L153 HydrophobicContact CE1-CD2 3.78Å; L83-L153 HydrophobicContact CD1-CD2 4.3Å; F85-L153 HydrophobicContact CE1-CB 4.1Å; F85-L153 HydrophobicContact CE1-CD2 4.24Å; F85-L153 HydrophobicContact CE1-CG 4.42Å; F85-L153 HydrophobicContact CZ-CB 4.46Å; F85-L153 HydrophobicContact CZ-CD2 3.98Å; F85-L153 HydrophobicContact CZ-CG 4.3Å; V118-L153 HydrophobicContact CG1-CD2 4.21Å; V118-L153 HydrophobicContact CG2-CD2 4.39Å; D148-L153 WeakPolarHBondContact OD2-CB 3.5Å; D148-L153 PolarHBondContact OD2-N 3.47Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.06Å; L153-L157 VanDerWaalsContact O-N 3.12Å
154	W	95.4	Very high	95.8	Very high	29 Å²	29	38.3 Å²	38.3	11%	0.11	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-47.8	172.3	174.1	-69.4	0	0	0	111.8	F85 A151 S152 E158 V159 C161 W162	F85-W154 HydrophobicContact CB-CE3 3.75Å; F85-W154 HydrophobicContact CB-CZ3 3.78Å; F85-W154 HydrophobicContact CD1-CB 4.16Å; F85-W154 AromaticContact CD1-CE3 3.91Å; F85-W154 HydrophobicContact CD1-CE3 3.91Å; F85-W154 HydrophobicContact CE1-CB 4.27Å; F85-W154 HydrophobicContact CG-CE3 4.16Å; A151-W154 HydrophobicContact CB-CB 3.9Å; A151-W154 HydrophobicContact CB-CG 4.24Å; A151-W154 WeakPolarHBondContact O-CB 3.46Å; S152-W154 VanDerWaalsContact C-N 3.34Å; W154-E158 PolarHBondContact O-N 2.82Å; W154-V159 HydrophobicContact CB-CB 4.48Å; W154-V159 HydrophobicContact CD2-CB 3.52Å; W154-V159 HydrophobicContact CD2-CG1 3.63Å; W154-V159 HydrophobicContact CD2-CG2 4.49Å; W154-V159 VanDerWaalsContact CE2-O 3.31Å; W154-V159 HydrophobicContact CE3-CB 3.84Å; W154-V159 HydrophobicContact CE3-CG1 3.47Å; W154-V159 VanDerWaalsContact CE3-CG1 3.47Å; W154-V159 HydrophobicContact CG-CB 3.83Å; W154-V159 HydrophobicContact CG-CG1 4.45Å; W154-V159 HydrophobicContact CH2-CB 4.41Å; W154-V159 HydrophobicContact CH2-CG1 3.52Å; W154-V159 HydrophobicContact CZ2-CB 4.13Å; W154-V159 HydrophobicContact CZ2-CG1 3.66Å; W154-V159 HydrophobicContact CZ3-CB 4.26Å; W154-V159 HydrophobicContact CZ3-CG1 3.4Å; W154-V159 VanDerWaalsContact CZ3-CG1 3.4Å; W154-V159 PolarHBondContact NE1-O 2.84Å; W154-V159 PolarHBondContact O-N 2.96Å; W154-C161 VanDerWaalsContact CH2-C 3.45Å; W154-C161 VanDerWaalsContact CH2-O 3.28Å; W154-C161 WeakPolarHBondContact CH2-O 3.4Å; W154-W162 AromaticContact CE3-NE1 3.99Å; W154-W162 AromaticContact CH2-CD1 3.66Å; W154-W162 AromaticContact CH2-CD2 3.57Å; W154-W162 HydrophobicContact CH2-CD2 3.57Å; W154-W162 AromaticContact CH2-CE2 3.51Å; W154-W162 HydrophobicContact CH2-CE3 4.22Å; W154-W162 AromaticContact CH2-CG 3.68Å; W154-W162 HydrophobicContact CH2-CG 3.68Å; W154-W162 HydrophobicContact CH2-CZ2 4.11Å; W154-W162 AromaticContact CH2-NE1 3.58Å; W154-W162 HydrophobicContact CZ2-CD2 4.3Å; W154-W162 HydrophobicContact CZ2-CZ2 4.29Å; W154-W162 AromaticContact CZ3-CD1 3.42Å; W154-W162 VanDerWaalsContact CZ3-CD1 3.42Å; W154-W162 HydrophobicContact CZ3-CD2 4.08Å; W154-W162 AromaticContact CZ3-CE2 3.69Å; W154-W162 AromaticContact CZ3-CG 3.94Å; W154-W162 HydrophobicContact CZ3-CG 3.94Å; W154-W162 HydrophobicContact CZ3-CZ2 4.39Å; W154-W162 AromaticContact CZ3-NE1 3.27Å; W154-W162 VanDerWaalsContact CZ3-NE1 3.27Å
155	Q	94.2	Very high	95.9	Very high	130 Å²	130	38.5 Å²	38.5	61%	0.607	21%	0.208	S	C	*	.	H	α-helix	trans	-68.4	-44.4	-178.9	-76.1	169	59.6	0	0	112.3	D150 A151 S152 L157 E158	D150-Q155 PolarHBondContact O-NE2 2.82Å; A151-Q155 WeakPolarHBondContact O-CB 3.39Å; A151-Q155 WeakPolarHBondContact O-CG 3.28Å; A151-Q155 PolarHBondContact O-N 3.1Å; A151-Q155 PolarHBondContact O-NE2 3.11Å; A151-Q155 VanDerWaalsContact O-NE2 3.14Å; S152-Q155 PolarHBondContact O-N 3.26Å; Q155-L157 VanDerWaalsContact C-N 3.27Å; Q155-L157 PolarHBondContact O-N 2.91Å; Q155-E158 PolarHBondContact O-N 2.81Å; Q155-E158 VanDerWaalsContact O-N 3.13Å
156	E	94.9	Very high	95.9	Very high	123 Å²	123	38.5 Å²	38.5	58%	0.575	21%	0.207	S	C	*	.	H	α-helix	trans	-62.2	-36.2	178.5	-75.7	-165.3	-157.9	0	0	112.5	P55 S152 E158	P55-E156 VanDerWaalsContact CB-OE2 3.25Å; P55-E156 WeakPolarHBondContact CB-OE2 3.11Å; P55-E156 HydrophobicContact CG-CB 3.97Å; P55-E156 WeakPolarHBondContact CG-OE2 3.19Å; S152-E156 PolarHBondContact O-N 2.78Å; E156-E158 VanDerWaalsContact C-N 3.3Å
157	L	94.6	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	178.2	-69.6	179	0	0	0	113.9	L11 V54 P55 F85 L153 Q155 V159 M174	L11-L157 HydrophobicContact CG-CB 4.27Å; L11-L157 WeakPolarHBondContact CG-O 3.5Å; L11-L157 PolarHBondContact N-O 3.15Å; V54-L157 HydrophobicContact CG2-CD1 4.2Å; P55-L157 HydrophobicContact CG-CD2 4.36Å; F85-L157 HydrophobicContact CE2-CD1 3.98Å; F85-L157 HydrophobicContact CZ-CD1 3.62Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.06Å; L153-L157 VanDerWaalsContact O-N 3.12Å; Q155-L157 VanDerWaalsContact C-N 3.27Å; Q155-L157 PolarHBondContact O-N 2.91Å; L157-V159 VanDerWaalsContact C-N 3.26Å; L157-V159 HydrophobicContact CB-CG2 3.99Å; L157-V159 PolarHBondContact O-N 3.4Å; L157-M174 HydrophobicContact CD2-CE 3.82Å; L157-M174 HydrophobicContact CD2-SD 3.53Å; L157-M174 VanDerWaalsContact CD2-SD 3.53Å
158	E	96.4	Very high	95.9	Very high	112 Å²	112	38.2 Å²	38.2	52%	0.523	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.1	-176.2	-56	171.4	160.3	0	0	112.5	S10 S12 W154 Q155 E156	S10-E158 VanDerWaalsContact CB-OE2 3.29Å; S10-E158 WeakPolarHBondContact CB-OE2 3.35Å; S10-E158 PolarHBondContact OG-OE2 2.86Å; S12-E158 PolarHBondContact OG-OE2 3.46Å; W154-E158 PolarHBondContact O-N 2.82Å; Q155-E158 PolarHBondContact O-N 2.81Å; Q155-E158 VanDerWaalsContact O-N 3.13Å; E156-E158 VanDerWaalsContact C-N 3.3Å
159	V	95.5	Very high	96	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.067	21%	0.206	C	C	.	.			trans	-64.2	143.7	173.3	-174.3	0	0	0	0	109	L11 F85 W154 L157 T164	L11-V159 HydrophobicContact CD1-CG2 3.92Å; F85-V159 HydrophobicContact CB-CG1 4.31Å; F85-V159 HydrophobicContact CD1-CG2 4.35Å; F85-V159 HydrophobicContact CD2-CG2 4.14Å; F85-V159 HydrophobicContact CE1-CG2 4.45Å; F85-V159 HydrophobicContact CE2-CG2 4.26Å; F85-V159 HydrophobicContact CG-CG1 4.46Å; F85-V159 HydrophobicContact CG-CG2 4.2Å; F85-V159 HydrophobicContact CZ-CG2 4.42Å; W154-V159 HydrophobicContact CB-CB 4.48Å; W154-V159 HydrophobicContact CD2-CB 3.52Å; W154-V159 HydrophobicContact CD2-CG1 3.63Å; W154-V159 HydrophobicContact CD2-CG2 4.49Å; W154-V159 VanDerWaalsContact CE2-O 3.31Å; W154-V159 HydrophobicContact CE3-CB 3.84Å; W154-V159 HydrophobicContact CE3-CG1 3.47Å; W154-V159 VanDerWaalsContact CE3-CG1 3.47Å; W154-V159 HydrophobicContact CG-CB 3.83Å; W154-V159 HydrophobicContact CG-CG1 4.45Å; W154-V159 HydrophobicContact CH2-CB 4.41Å; W154-V159 HydrophobicContact CH2-CG1 3.52Å; W154-V159 HydrophobicContact CZ2-CB 4.13Å; W154-V159 HydrophobicContact CZ2-CG1 3.66Å; W154-V159 HydrophobicContact CZ3-CB 4.26Å; W154-V159 HydrophobicContact CZ3-CG1 3.4Å; W154-V159 VanDerWaalsContact CZ3-CG1 3.4Å; W154-V159 PolarHBondContact NE1-O 2.84Å; W154-V159 PolarHBondContact O-N 2.96Å; L157-V159 VanDerWaalsContact C-N 3.26Å; L157-V159 HydrophobicContact CB-CG2 3.99Å; L157-V159 PolarHBondContact O-N 3.4Å; V159-T164 HydrophobicContact CG1-CG2 4.07Å; V159-T164 WeakPolarHBondContact CG1-OG1 3.42Å
160	S	91.1	Very high	96.2	Very high	107 Å²	107	37.8 Å²	37.8	75%	0.748	20%	0.202	S	C	*	.			trans	-142.6	7.6	-172.5	52.3	0	0	0	0	114.6
161	C	93.6	Very high	96.3	Very high	45 Å²	45	36 Å²	36	30%	0.304	19%	0.186	S	C	.	.	S	Bend	trans	-149.8	136	-177.9	-177.1	0	0	0	0	111	W154 P163 T164 I179	W154-C161 VanDerWaalsContact CH2-C 3.45Å; W154-C161 VanDerWaalsContact CH2-O 3.28Å; W154-C161 WeakPolarHBondContact CH2-O 3.4Å; C161-P163 CarbonylContact O-C 3.59Å; C161-P163 VanDerWaalsContact O-C 3.24Å; C161-T164 PolarHBondContact O-N 3.46Å; C161-T164 PolarHBondContact O-OG1 2.83Å; C161-I179 HydrophobicContact CB-CG2 3.49Å; C161-I179 VanDerWaalsContact CB-CG2 3.49Å
162	W	96.9	Very high	96.4	Very high	48 Å²	48	35.4 Å²	35.4	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	-97.4	129.6	169.6	-76	-73.1	0	0	0	110.1	T87 S120 K122 W154 F460	T87-W162 HydrophobicContact CG2-CD2 4.21Å; T87-W162 HydrophobicContact CG2-CG 4.08Å; S120-W162 WeakPolarHBondContact O-CZ2 3.35Å; S120-W162 PolarHBondContact O-NE1 3.34Å; K122-W162 HydrophobicContact CB-CH2 4.01Å; K122-W162 HydrophobicContact CB-CZ2 4.26Å; K122-W162 HydrophobicContact CB-CZ3 4.31Å; K122-W162 HydrophobicContact CD-CZ3 4.4Å; K122-W162 HydrophobicContact CG-CH2 4.39Å; K122-W162 HydrophobicContact CG-CZ3 4.4Å; W154-W162 AromaticContact CE3-NE1 3.99Å; W154-W162 AromaticContact CH2-CD1 3.66Å; W154-W162 AromaticContact CH2-CD2 3.57Å; W154-W162 HydrophobicContact CH2-CD2 3.57Å; W154-W162 AromaticContact CH2-CE2 3.51Å; W154-W162 HydrophobicContact CH2-CE3 4.22Å; W154-W162 AromaticContact CH2-CG 3.68Å; W154-W162 HydrophobicContact CH2-CG 3.68Å; W154-W162 HydrophobicContact CH2-CZ2 4.11Å; W154-W162 AromaticContact CH2-NE1 3.58Å; W154-W162 HydrophobicContact CZ2-CD2 4.3Å; W154-W162 HydrophobicContact CZ2-CZ2 4.29Å; W154-W162 AromaticContact CZ3-CD1 3.42Å; W154-W162 VanDerWaalsContact CZ3-CD1 3.42Å; W154-W162 HydrophobicContact CZ3-CD2 4.08Å; W154-W162 AromaticContact CZ3-CE2 3.69Å; W154-W162 AromaticContact CZ3-CG 3.94Å; W154-W162 HydrophobicContact CZ3-CG 3.94Å; W154-W162 HydrophobicContact CZ3-CZ2 4.39Å; W154-W162 AromaticContact CZ3-NE1 3.27Å; W154-W162 VanDerWaalsContact CZ3-NE1 3.27Å; W162-F460 HydrophobicContact CH2-CE1 4.21Å; W162-F460 HydrophobicContact CH2-CZ 4.41Å; W162-F460 HydrophobicContact CZ3-CE1 4.07Å; W162-F460 AromaticContact CZ3-CZ 3.88Å; W162-F460 HydrophobicContact CZ3-CZ 3.88Å
163	P	98.1	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	S	Bend	cis	-77.3	162.7	-13.9	31.1	-32.8	0	0	0	112.5	F85 L96 C161 G180	F85-P163 WeakPolarHBondContact O-CA 3.27Å; L96-P163 HydrophobicContact CB-CG 4.18Å; L96-P163 HydrophobicContact CD2-CB 3.63Å; L96-P163 HydrophobicContact CD2-CG 3.58Å; L96-P163 HydrophobicContact CG-CG 4.46Å; C161-P163 CarbonylContact O-C 3.59Å; C161-P163 VanDerWaalsContact O-C 3.24Å; P163-G180 WeakPolarHBondContact O-CA 3.25Å; P163-G180 PolarHBondContact O-N 3.14Å
164	T	98.6	Very high	96.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.3	164.1	-67.4	0	0	0	0	109.5	L11 F85 V159 C161 V166 L178	L11-T164 HydrophobicContact CD1-CG2 4.32Å; F85-T164 WeakPolarHBondContact CB-O 3.29Å; F85-T164 WeakPolarHBondContact CD2-O 3.26Å; F85-T164 PolarHBondContact N-O 2.81Å; F85-T164 PolarHBondContact O-N 3.39Å; V159-T164 HydrophobicContact CG1-CG2 4.07Å; V159-T164 WeakPolarHBondContact CG1-OG1 3.42Å; C161-T164 PolarHBondContact O-N 3.46Å; C161-T164 PolarHBondContact O-OG1 2.83Å; T164-V166 HydrophobicContact CG2-CG2 4.3Å; T164-L178 CarbonylContact C-O 3.26Å; T164-L178 WeakPolarHBondContact CA-O 3.23Å
165	L	98.8	Very high	96.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.4	172.9	-60	-177.1	0	0	0	110.7	I82 L83 D84 L96 L100 S177 L178 L187	I82-L165 HydrophobicContact CG2-CB 4.44Å; I82-L165 HydrophobicContact CG2-CD2 4.05Å; L83-L165 CarbonylContact O-C 3.46Å; L83-L165 VanDerWaalsContact O-CA 3.28Å; L83-L165 WeakPolarHBondContact O-CA 3.47Å; D84-L165 HydrophobicContact CB-CD2 3.62Å; D84-L165 WeakPolarHBondContact OD1-CD2 3.42Å; L96-L165 HydrophobicContact CD1-CD1 4.31Å; L96-L165 HydrophobicContact CD2-CD1 4.1Å; L96-L165 HydrophobicContact CD2-CD2 3.73Å; L96-L165 HydrophobicContact CD2-CG 3.89Å; L100-L165 HydrophobicContact CD2-CD1 4.25Å; L100-L165 HydrophobicContact CD2-CD2 4.17Å; L165-S177 CarbonylContact O-C 3.01Å; L165-S177 WeakPolarHBondContact O-CA 3.23Å; L165-L178 HydrophobicContact CB-CB 4.23Å; L165-L178 PolarHBondContact N-O 3.34Å; L165-L178 PolarHBondContact O-N 3.03Å; L165-L187 HydrophobicContact CD1-CD1 3.71Å; L165-L187 HydrophobicContact CD1-CD2 3.97Å; L165-L187 HydrophobicContact CD1-CG 4.35Å
166	V	98.8	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	172	-174.9	0	0	0	0	109.3	L11 I82 L83 F85 T164 L168 M174 F176	L11-V166 HydrophobicContact CD1-CG2 4.22Å; L11-V166 HydrophobicContact CD2-CG1 4.04Å; L11-V166 HydrophobicContact CD2-CG2 3.85Å; I82-V166 WeakPolarHBondContact CA-O 3.21Å; L83-V166 HydrophobicContact CB-CB 4.27Å; L83-V166 PolarHBondContact N-O 3.26Å; L83-V166 PolarHBondContact O-N 2.71Å; F85-V166 HydrophobicContact CD2-CG2 4.07Å; F85-V166 HydrophobicContact CE2-CB 4.41Å; F85-V166 HydrophobicContact CE2-CG2 3.75Å; T164-V166 HydrophobicContact CG2-CG2 4.3Å; V166-L168 HydrophobicContact CG1-CD2 3.88Å; V166-M174 HydrophobicContact CG1-CB 4.49Å; V166-M174 HydrophobicContact CG1-CG 4.1Å; V166-M174 HydrophobicContact CG1-SD 4.1Å; V166-F176 WeakPolarHBondContact CA-O 3.36Å
167	I	98.8	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.4	-178.8	-53.3	174.7	0	0	0	108.9	I80 V81 I82 L175 F176 Y190 T191	I80-I167 HydrophobicContact CG2-CG2 3.97Å; V81-I167 CarbonylContact O-C 3.24Å; V81-I167 WeakPolarHBondContact O-CA 3.47Å; I82-I167 HydrophobicContact CG1-CG1 4.43Å; I167-L175 WeakPolarHBondContact O-CB 3.38Å; I167-L175 PolarHBondContact O-N 3.3Å; I167-F176 HydrophobicContact CB-CB 4.22Å; I167-F176 HydrophobicContact CB-CD2 4.16Å; I167-F176 HydrophobicContact CD1-CB 4.11Å; I167-F176 HydrophobicContact CD1-CD2 4.14Å; I167-F176 HydrophobicContact CD1-CG 4.49Å; I167-F176 HydrophobicContact CG1-CB 4.38Å; I167-F176 HydrophobicContact CG2-CD2 4.31Å; I167-F176 PolarHBondContact N-O 3.4Å; I167-F176 PolarHBondContact O-N 3.29Å; I167-Y190 HydrophobicContact CD1-CD2 4.35Å; I167-T191 HydrophobicContact CD1-CG2 3.82Å; I167-T191 HydrophobicContact CG1-CG2 4.4Å; I167-T191 HydrophobicContact CG2-CG2 4.44Å
168	L	98.8	Very high	97.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.3	-177.9	-47.5	-179.6	0	0	0	111.7	V54 I80 V81 L83 V166 N173 M174	V54-L168 HydrophobicContact CB-CD1 4.29Å; V54-L168 HydrophobicContact CB-CD2 4.1Å; V54-L168 HydrophobicContact CG1-CD1 3.85Å; V54-L168 HydrophobicContact CG1-CD2 4.45Å; V54-L168 HydrophobicContact CG2-CD1 4.44Å; V54-L168 HydrophobicContact CG2-CD2 4.39Å; I80-L168 WeakPolarHBondContact CA-O 3.16Å; V81-L168 HydrophobicContact CB-CB 4.1Å; V81-L168 HydrophobicContact CB-CD1 4.04Å; V81-L168 HydrophobicContact CB-CG 4.29Å; V81-L168 HydrophobicContact CG1-CD1 4.21Å; V81-L168 PolarHBondContact N-O 3.12Å; V81-L168 PolarHBondContact O-N 2.87Å; L83-L168 HydrophobicContact CD1-CD1 4.05Å; L83-L168 HydrophobicContact CD2-CD1 4.44Å; L83-L168 HydrophobicContact CG-CD1 4.07Å; L83-L168 HydrophobicContact CG-CG 4.5Å; V166-L168 HydrophobicContact CG1-CD2 3.88Å; L168-N173 WeakPolarHBondContact CA-O 3.48Å; L168-M174 HydrophobicContact CD2-CB 4.25Å; L168-M174 HydrophobicContact CD2-CG 3.61Å
169	G	98.6	Very high	97.4	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.113	C	C	.	.			trans	-85.5	178.8	167.7	0	0	0	0	0	113.4	K79 R171 G172 N173	K79-G169 CarbonylContact O-C 3Å; G169-R171 PolarHBondContact O-N 3.38Å; G169-G172 PolarHBondContact O-N 3.1Å; G169-G172 VanDerWaalsContact O-N 3.09Å; G169-N173 WeakPolarHBondContact CA-OD1 3.28Å; G169-N173 PolarHBondContact N-O 3.5Å
170	P	98.1	Very high	97.3	Very high	10 Å²	10	20.5 Å²	20.5	7%	0.065	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-6.9	-170.4	26.5	-35.4	0	0	0	115.8	C77 G78 K79 Y198 Q203 I204	C77-P170 WeakPolarHBondContact CA-O 3.42Å; G78-P170 PolarHBondContact N-O 3.24Å; K79-P170 VanDerWaalsContact O-CA 3.26Å; K79-P170 WeakPolarHBondContact O-CA 3.3Å; P170-Y198 HydrophobicContact CG-CD1 3.44Å; P170-Y198 VanDerWaalsContact CG-CD1 3.44Å; P170-Y198 HydrophobicContact CG-CD2 4.42Å; P170-Y198 HydrophobicContact CG-CE1 3.71Å; P170-Y198 HydrophobicContact CG-CG 3.83Å; P170-Q203 HydrophobicContact CB-CB 4.45Å; P170-Q203 WeakPolarHBondContact CB-O 3.33Å; P170-Q203 HydrophobicContact CG-CB 3.98Å; P170-I204 HydrophobicContact CB-CD1 4.28Å
171	R	97.5	Very high	97.2	Very high	79 Å²	79	18 Å²	18	30%	0.298	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	20.7	-180	58.6	-178.5	-173.1	-89.4	-2.2	112.7	D46 D51 G169 N173	D46-R171 PolarHBondContact O-NH2 3.45Å; D46-R171 IonicContact OD1-CZ 3.45Å; D46-R171 IonicContact OD1-NH1 2.92Å; D46-R171 PolarHBondContact OD1-NH1 3.2Å; D46-R171 IonicContact OD1-NH2 3.9Å; D46-R171 PolarHBondContact OD1-NH2 3.23Å; D51-R171 IonicContact OD1-CZ 3.14Å; D51-R171 IonicContact OD1-NE 3.88Å; D51-R171 IonicContact OD1-NH2 3.75Å; D51-R171 PolarHBondContact OD1-NH2 2.88Å; D51-R171 VanDerWaalsContact OD1-NH2 3.13Å; D51-R171 IonicContact OD2-CZ 3.85Å; D51-R171 IonicContact OD2-NE 2.71Å; D51-R171 PolarHBondContact OD2-NE 3.3Å; D51-R171 IonicContact OD2-NH2 3.77Å; G169-R171 PolarHBondContact O-N 3.38Å; R171-N173 VanDerWaalsContact C-N 3.28Å; R171-N173 HydrophobicContact CG-CB 4.27Å; R171-N173 WeakPolarHBondContact CG-OD1 3.49Å; R171-N173 PolarHBondContact O-N 3.05Å
172	G	97.3	Very high	97	Very high	4 Å²	4	18.4 Å²	18.4	4%	0.041	11%	0.106	C	C	.	.	S	Bend	trans	74.6	14.6	-178.9	0	0	0	0	0	114.1	S53 V54 G169	S53-G172 WeakPolarHBondContact CA-O 3.19Å; V54-G172 PolarHBondContact N-O 3.34Å; G169-G172 PolarHBondContact O-N 3.1Å; G169-G172 VanDerWaalsContact O-N 3.09Å
173	N	97.4	Very high	96.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-78.6	122.4	175.5	59.9	-60.2	0	0	0	110.1	D51 L168 G169 R171 L175 Y198	D51-N173 HydrophobicContact CB-CB 4Å; L168-N173 WeakPolarHBondContact CA-O 3.48Å; G169-N173 WeakPolarHBondContact CA-OD1 3.28Å; G169-N173 PolarHBondContact N-O 3.5Å; R171-N173 VanDerWaalsContact C-N 3.28Å; R171-N173 HydrophobicContact CG-CB 4.27Å; R171-N173 WeakPolarHBondContact CG-OD1 3.49Å; R171-N173 PolarHBondContact O-N 3.05Å; N173-L175 WeakPolarHBondContact ND2-CD2 3.31Å; N173-L175 PolarHBondContact O-N 3.22Å; N173-Y198 PolarHBondContact ND2-OH 3.14Å
174	M	98.1	Very high	96.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.7	178	-62.5	-174.2	-76	0	0	110.3	L11 L14 L52 V54 L157 V166 L168	L11-M174 HydrophobicContact CD2-SD 3.85Å; L14-M174 HydrophobicContact CD1-CB 4.01Å; L52-M174 HydrophobicContact CB-CB 4.39Å; L52-M174 HydrophobicContact CB-CE 3.85Å; L52-M174 WeakPolarHBondContact O-CG 3.49Å; L52-M174 PolarHBondContact O-N 2.89Å; V54-M174 HydrophobicContact CB-CG 4.26Å; L157-M174 HydrophobicContact CD2-CE 3.82Å; L157-M174 HydrophobicContact CD2-SD 3.53Å; L157-M174 VanDerWaalsContact CD2-SD 3.53Å; V166-M174 HydrophobicContact CG1-CB 4.49Å; V166-M174 HydrophobicContact CG1-CG 4.1Å; V166-M174 HydrophobicContact CG1-SD 4.1Å; L168-M174 HydrophobicContact CD2-CB 4.25Å; L168-M174 HydrophobicContact CD2-CG 3.61Å
175	L	98.3	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-46.1	-177.1	-57.6	177.6	0	0	0	111.8	Y41 L42 V45 I167 N173 A194 Y198	Y41-L175 WeakPolarHBondContact CE1-O 3.5Å; Y41-L175 PolarHBondContact OH-O 2.75Å; L42-L175 HydrophobicContact CD2-CB 4.37Å; L42-L175 HydrophobicContact CD2-CD1 4.03Å; L42-L175 HydrophobicContact CD2-CD2 4.02Å; L42-L175 HydrophobicContact CD2-CG 4.38Å; V45-L175 HydrophobicContact CG1-CD2 4.23Å; I167-L175 WeakPolarHBondContact O-CB 3.38Å; I167-L175 PolarHBondContact O-N 3.3Å; N173-L175 WeakPolarHBondContact ND2-CD2 3.31Å; N173-L175 PolarHBondContact O-N 3.22Å; L175-A194 HydrophobicContact CD1-CB 4.03Å; L175-Y198 HydrophobicContact CD1-CE2 3.9Å; L175-Y198 HydrophobicContact CD2-CE2 4.26Å
176	F	98.6	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.2	-175.6	-53.1	-82.5	0	0	0	110.9	Q18 L21 V38 Y41 L42 V166 I167 Y190	Q18-F176 HydrophobicContact CG-CD1 4.44Å; L21-F176 HydrophobicContact CD2-CE1 3.89Å; V38-F176 HydrophobicContact CG1-CZ 3.92Å; Y41-F176 HydrophobicContact CD1-CD1 4.33Å; Y41-F176 AromaticContact CD1-CE1 3.33Å; Y41-F176 HydrophobicContact CD1-CE1 3.33Å; Y41-F176 AromaticContact CD1-CZ 3.57Å; Y41-F176 HydrophobicContact CD1-CZ 3.57Å; Y41-F176 AromaticContact CE1-CD1 3.72Å; Y41-F176 HydrophobicContact CE1-CD1 3.72Å; Y41-F176 AromaticContact CE1-CE1 3.15Å; Y41-F176 HydrophobicContact CE1-CE1 3.15Å; Y41-F176 AromaticContact CE1-CZ 3.62Å; Y41-F176 HydrophobicContact CE1-CZ 3.62Å; Y41-F176 HydrophobicContact CG-CE1 4.29Å; Y41-F176 AromaticContact CZ-CE1 3.98Å; L42-F176 HydrophobicContact CD2-CE2 3.77Å; L42-F176 HydrophobicContact CD2-CZ 3.8Å; L42-F176 HydrophobicContact CG-CE2 4.49Å; L42-F176 HydrophobicContact CG-CZ 4.17Å; V166-F176 WeakPolarHBondContact CA-O 3.36Å; I167-F176 HydrophobicContact CB-CB 4.22Å; I167-F176 HydrophobicContact CB-CD2 4.16Å; I167-F176 HydrophobicContact CD1-CB 4.11Å; I167-F176 HydrophobicContact CD1-CD2 4.14Å; I167-F176 HydrophobicContact CD1-CG 4.49Å; I167-F176 HydrophobicContact CG1-CB 4.38Å; I167-F176 HydrophobicContact CG2-CD2 4.31Å; I167-F176 PolarHBondContact N-O 3.4Å; I167-F176 PolarHBondContact O-N 3.29Å; F176-Y190 HydrophobicContact CB-CD2 3.93Å; F176-Y190 HydrophobicContact CB-CE2 4.46Å; F176-Y190 AromaticContact CD1-CD2 3.74Å; F176-Y190 HydrophobicContact CD1-CD2 3.74Å; F176-Y190 AromaticContact CD1-CE2 3.99Å; F176-Y190 HydrophobicContact CD1-CE2 3.99Å; F176-Y190 HydrophobicContact CD1-CG 4.04Å; F176-Y190 HydrophobicContact CD2-CD2 4.25Å; F176-Y190 HydrophobicContact CD2-CG 4.19Å; F176-Y190 HydrophobicContact CE1-CD1 4.29Å; F176-Y190 HydrophobicContact CE1-CD2 4.29Å; F176-Y190 HydrophobicContact CE1-CG 4.15Å; F176-Y190 HydrophobicContact CE2-CG 4.3Å; F176-Y190 AromaticContact CG-CD2 3.72Å; F176-Y190 HydrophobicContact CG-CD2 3.72Å; F176-Y190 HydrophobicContact CG-CE2 4.34Å; F176-Y190 HydrophobicContact CG-CG 4.06Å; F176-Y190 HydrophobicContact CZ-CD1 4.48Å; F176-Y190 HydrophobicContact CZ-CG 4.29Å
177	S	98.2	Very high	96.6	Very high	15 Å²	15	30.7 Å²	30.7	11%	0.105	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	162.4	59.9	0	0	0	0	112.2	Q18 L165	Q18-S177 PolarHBondContact NE2-O 2.89Å; L165-S177 CarbonylContact O-C 3.01Å; L165-S177 WeakPolarHBondContact O-CA 3.23Å
178	L	98.2	Very high	96.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.9	173.4	-61.4	171.6	0	0	0	108.2	T164 L165 H183 K186 L187 Y190	T164-L178 CarbonylContact C-O 3.26Å; T164-L178 WeakPolarHBondContact CA-O 3.23Å; L165-L178 HydrophobicContact CB-CB 4.23Å; L165-L178 PolarHBondContact N-O 3.34Å; L165-L178 PolarHBondContact O-N 3.03Å; L178-H183 HydrophobicContact CB-CB 4.49Å; L178-H183 HydrophobicContact CD1-CB 4.25Å; L178-H183 HydrophobicContact CD2-CB 4.46Å; L178-K186 HydrophobicContact CD1-CB 4.23Å; L178-K186 HydrophobicContact CD2-CB 3.88Å; L178-K186 HydrophobicContact CD2-CD 3.88Å; L178-L187 HydrophobicContact CD1-CB 4.02Å; L178-L187 HydrophobicContact CD1-CD1 4.44Å; L178-Y190 HydrophobicContact CD2-CD2 4.18Å; L178-Y190 HydrophobicContact CD2-CE2 3.75Å
179	I	96.8	Very high	96.6	Very high	91 Å²	91	33.9 Å²	33.9	47%	0.467	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.5	-172	-53.2	175.2	0	0	0	108.5	C161 H183	C161-I179 HydrophobicContact CB-CG2 3.49Å; C161-I179 VanDerWaalsContact CB-CG2 3.49Å; I179-H183 PolarHBondContact O-CD2 2.9Å; I179-H183 PolarHBondContact O-NE2 2.68Å
180	G	92.3	Very high	96.6	Very high	15 Å²	15	33.8 Å²	33.8	16%	0.155	18%	0.18	C	C	.	.	S	Bend	trans	87.1	-170.9	179.9	0	0	0	0	0	114.5	P163	P163-G180 WeakPolarHBondContact O-CA 3.25Å; P163-G180 PolarHBondContact O-N 3.14Å
181	E	89.3	Confident	96.6	Very high	55 Å²	55	33.3 Å²	33.3	26%	0.257	18%	0.177	S	C	.	.	S	Bend	trans	-90.1	168.4	-178.3	63	169	-170.9	0	0	113.4	N92 H95 Q320	N92-E181 HydrophobicContact CB-CB 4.47Å; N92-E181 HydrophobicContact CB-CG 4.44Å; H95-E181 VanDerWaalsContact CB-OE2 3.23Å; H95-E181 WeakPolarHBondContact CB-OE2 3.39Å; H95-E181 IonicContact CE1-OE2 2.83Å; H95-E181 IonicContact CG-OE2 3.13Å; H95-E181 IonicContact ND1-OE2 3.83Å; H95-E181 PolarHBondContact ND1-OE2 2.79Å; E181-Q320 PolarHBondContact OE2-NE2 3.42Å
182	G	89.3	Confident	96.6	Very high	54 Å²	54	31 Å²	31	56%	0.557	17%	0.173	S	C	*	.			trans	77.6	23.1	167	0	0	0	0	0	115.7
183	H	95.1	Very high	96.7	Very high	60 Å²	60	31.3 Å²	31.3	28%	0.278	17%	0.174	S	C	.	.			trans	-105.1	29.5	179.5	-66.2	-39.1	0	0	0	113.8	L178 I179 D185 K186 L187	L178-H183 HydrophobicContact CB-CB 4.49Å; L178-H183 HydrophobicContact CD1-CB 4.25Å; L178-H183 HydrophobicContact CD2-CB 4.46Å; I179-H183 PolarHBondContact O-CD2 2.9Å; I179-H183 PolarHBondContact O-NE2 2.68Å; H183-D185 VanDerWaalsContact C-N 3.27Å; H183-D185 PolarHBondContact O-N 2.75Å; H183-K186 PolarHBondContact O-N 2.84Å; H183-L187 WeakPolarHBondContact O-CB 3.17Å; H183-L187 PolarHBondContact O-N 2.76Å
184	K	95.9	Very high	96.8	Very high	87 Å²	87	31.3 Å²	31.3	38%	0.378	17%	0.173	S	C	.	.	H	α-helix	trans	-51.2	-43.8	-178.7	-165.7	-168.9	-165.1	104.9	0	113.3	D99 L187 F188	D99-K184 HydrophobicContact CB-CB 4.5Å; D99-K184 HydrophobicContact CB-CG 4.19Å; D99-K184 VanDerWaalsContact OD1-CD 3.22Å; D99-K184 WeakPolarHBondContact OD1-CD 3.49Å; D99-K184 WeakPolarHBondContact OD1-CE 3.27Å; D99-K184 VanDerWaalsContact OD1-CG 3.31Å; D99-K184 WeakPolarHBondContact OD1-CG 3.44Å; D99-K184 IonicContact OD1-NZ 2.72Å; D99-K184 PolarHBondContact OD1-NZ 3.4Å; D99-K184 WeakPolarHBondContact OD2-CB 3.31Å; K184-L187 PolarHBondContact O-N 3.29Å; K184-F188 HydrophobicContact CG-CD2 3.95Å; K184-F188 HydrophobicContact CG-CE2 3.95Å; K184-F188 VanDerWaalsContact O-CD2 3.29Å; K184-F188 WeakPolarHBondContact O-CD2 3.32Å; K184-F188 PolarHBondContact O-N 3.44Å
185	D	95.6	Very high	96.8	Very high	112 Å²	112	31.4 Å²	31.4	60%	0.599	17%	0.174	S	C	*	.	H	α-helix	trans	-60.8	-48.7	-179.4	64.9	-38.6	0	0	0	111.7	H183 L189	H183-D185 VanDerWaalsContact C-N 3.27Å; H183-D185 PolarHBondContact O-N 2.75Å; D185-L189 VanDerWaalsContact O-CB 3.26Å; D185-L189 WeakPolarHBondContact O-CB 3.38Å; D185-L189 PolarHBondContact O-N 3.19Å
186	K	97.9	Very high	96.8	Very high	51 Å²	51	36.4 Å²	36.4	22%	0.222	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-40.3	176.1	-68.7	-175.3	174.9	-174.2	0	111.9	E22 L178 H183 F188 L189 Y190	E22-K186 IonicContact OE1-NZ 3.6Å; E22-K186 PolarHBondContact OE1-NZ 2.83Å; L178-K186 HydrophobicContact CD1-CB 4.23Å; L178-K186 HydrophobicContact CD2-CB 3.88Å; L178-K186 HydrophobicContact CD2-CD 3.88Å; H183-K186 PolarHBondContact O-N 2.84Å; K186-F188 PolarHBondContact O-N 3.24Å; K186-L189 PolarHBondContact O-N 2.92Å; K186-Y190 HydrophobicContact CB-CD2 4.44Å; K186-Y190 HydrophobicContact CB-CE2 4.09Å; K186-Y190 HydrophobicContact CD-CE2 4.46Å; K186-Y190 WeakPolarHBondContact O-CB 3.38Å; K186-Y190 PolarHBondContact O-N 2.75Å
187	L	98.4	Very high	96.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-51.6	177.5	176.5	59.6	0	0	0	110.8	I82 D99 L100 L103 L165 L178 H183 K184 T191	I82-L187 HydrophobicContact CD1-CD1 4.12Å; D99-L187 HydrophobicContact CB-CD2 4.41Å; L100-L187 HydrophobicContact CD2-CD2 4.13Å; L103-L187 HydrophobicContact CD2-CD1 3.94Å; L103-L187 HydrophobicContact CD2-CD2 4.09Å; L103-L187 HydrophobicContact CD2-CG 3.91Å; L165-L187 HydrophobicContact CD1-CD1 3.71Å; L165-L187 HydrophobicContact CD1-CD2 3.97Å; L165-L187 HydrophobicContact CD1-CG 4.35Å; L178-L187 HydrophobicContact CD1-CB 4.02Å; L178-L187 HydrophobicContact CD1-CD1 4.44Å; H183-L187 WeakPolarHBondContact O-CB 3.17Å; H183-L187 PolarHBondContact O-N 2.76Å; K184-L187 PolarHBondContact O-N 3.29Å; L187-T191 HydrophobicContact CD1-CG2 3.97Å; L187-T191 WeakPolarHBondContact O-CB 3.35Å; L187-T191 WeakPolarHBondContact O-CG2 3.25Å; L187-T191 PolarHBondContact O-N 2.79Å; L187-T191 VanDerWaalsContact O-N 3.13Å; L187-T191 PolarHBondContact O-OG1 3.27Å
188	F	98.6	Very high	96.9	Very high	50 Å²	50	35.7 Å²	35.7	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-41.6	177.8	-84.7	-106	0	0	0	112.2	A102 L103 T106 K184 K186 T191 S192	A102-F188 HydrophobicContact CB-CZ 4.04Å; L103-F188 HydrophobicContact CB-CE2 4.1Å; L103-F188 HydrophobicContact CB-CZ 4.02Å; L103-F188 HydrophobicContact CD1-CD1 3.99Å; L103-F188 HydrophobicContact CD1-CD2 4.09Å; L103-F188 HydrophobicContact CD1-CE1 3.89Å; L103-F188 HydrophobicContact CD1-CE2 4Å; L103-F188 HydrophobicContact CD1-CG 4.1Å; L103-F188 HydrophobicContact CD1-CZ 3.9Å; T106-F188 HydrophobicContact CG2-CE1 4.32Å; K184-F188 HydrophobicContact CG-CD2 3.95Å; K184-F188 HydrophobicContact CG-CE2 3.95Å; K184-F188 VanDerWaalsContact O-CD2 3.29Å; K184-F188 WeakPolarHBondContact O-CD2 3.32Å; K184-F188 PolarHBondContact O-N 3.44Å; K186-F188 PolarHBondContact O-N 3.24Å; F188-T191 PolarHBondContact O-OG1 3.37Å; F188-S192 WeakPolarHBondContact O-CB 3.31Å; F188-S192 PolarHBondContact O-N 2.85Å; F188-S192 PolarHBondContact O-OG 3.42Å
189	L	98.6	Very high	96.9	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-51.1	178.1	176.4	60.6	0	0	0	111.8	L25 K34 D35 V38 D185 K186 S192 I193	L25-L189 HydrophobicContact CD1-CD2 4.35Å; L25-L189 HydrophobicContact CD2-CD2 4.4Å; K34-L189 HydrophobicContact CB-CD2 4.31Å; D35-L189 VanDerWaalsContact OD1-CD1 3.29Å; D35-L189 WeakPolarHBondContact OD1-CD1 3.49Å; V38-L189 HydrophobicContact CG2-CD1 4.36Å; V38-L189 HydrophobicContact CG2-CD2 3.97Å; V38-L189 HydrophobicContact CG2-CG 4Å; D185-L189 VanDerWaalsContact O-CB 3.26Å; D185-L189 WeakPolarHBondContact O-CB 3.38Å; D185-L189 PolarHBondContact O-N 3.19Å; K186-L189 PolarHBondContact O-N 2.92Å; L189-S192 PolarHBondContact O-OG 3.29Å; L189-I193 HydrophobicContact CD1-CG1 4.01Å; L189-I193 WeakPolarHBondContact O-CB 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.13Å; L189-I193 VanDerWaalsContact O-N 3.16Å
190	Y	98.8	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-42	-175.2	-64.1	-9.5	0	0	0	111.8	L21 E22 L25 V38 I167 F176 L178 K186 A194	L21-Y190 HydrophobicContact CD2-CE1 4.43Å; E22-Y190 WeakPolarHBondContact CG-OH 3.37Å; E22-Y190 PolarHBondContact OE1-OH 3.39Å; L25-Y190 HydrophobicContact CD1-CE1 3.88Å; V38-Y190 HydrophobicContact CG1-CD1 4.16Å; V38-Y190 HydrophobicContact CG2-CD1 4.11Å; V38-Y190 HydrophobicContact CG2-CE1 4.1Å; I167-Y190 HydrophobicContact CD1-CD2 4.35Å; F176-Y190 HydrophobicContact CB-CD2 3.93Å; F176-Y190 HydrophobicContact CB-CE2 4.46Å; F176-Y190 AromaticContact CD1-CD2 3.74Å; F176-Y190 HydrophobicContact CD1-CD2 3.74Å; F176-Y190 AromaticContact CD1-CE2 3.99Å; F176-Y190 HydrophobicContact CD1-CE2 3.99Å; F176-Y190 HydrophobicContact CD1-CG 4.04Å; F176-Y190 HydrophobicContact CD2-CD2 4.25Å; F176-Y190 HydrophobicContact CD2-CG 4.19Å; F176-Y190 HydrophobicContact CE1-CD1 4.29Å; F176-Y190 HydrophobicContact CE1-CD2 4.29Å; F176-Y190 HydrophobicContact CE1-CG 4.15Å; F176-Y190 HydrophobicContact CE2-CG 4.3Å; F176-Y190 AromaticContact CG-CD2 3.72Å; F176-Y190 HydrophobicContact CG-CD2 3.72Å; F176-Y190 HydrophobicContact CG-CE2 4.34Å; F176-Y190 HydrophobicContact CG-CG 4.06Å; F176-Y190 HydrophobicContact CZ-CD1 4.48Å; F176-Y190 HydrophobicContact CZ-CG 4.29Å; L178-Y190 HydrophobicContact CD2-CD2 4.18Å; L178-Y190 HydrophobicContact CD2-CE2 3.75Å; K186-Y190 HydrophobicContact CB-CD2 4.44Å; K186-Y190 HydrophobicContact CB-CE2 4.09Å; K186-Y190 HydrophobicContact CD-CE2 4.46Å; K186-Y190 WeakPolarHBondContact O-CB 3.38Å; K186-Y190 PolarHBondContact O-N 2.75Å; Y190-A194 WeakPolarHBondContact O-CB 3.38Å; Y190-A194 PolarHBondContact O-N 2.98Å
191	T	98.6	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-45	-179.3	55.4	0	0	0	0	112.3	I82 L103 I167 L187 F188 I193 A194 L195	I82-T191 HydrophobicContact CD1-CG2 3.58Å; I82-T191 HydrophobicContact CG1-CG2 4.15Å; L103-T191 HydrophobicContact CD2-CG2 4.21Å; I167-T191 HydrophobicContact CD1-CG2 3.82Å; I167-T191 HydrophobicContact CG1-CG2 4.4Å; I167-T191 HydrophobicContact CG2-CG2 4.44Å; L187-T191 HydrophobicContact CD1-CG2 3.97Å; L187-T191 WeakPolarHBondContact O-CB 3.35Å; L187-T191 WeakPolarHBondContact O-CG2 3.25Å; L187-T191 PolarHBondContact O-N 2.79Å; L187-T191 VanDerWaalsContact O-N 3.13Å; L187-T191 PolarHBondContact O-OG1 3.27Å; F188-T191 PolarHBondContact O-OG1 3.37Å; T191-I193 PolarHBondContact O-N 3.24Å; T191-A194 PolarHBondContact O-N 3.32Å; T191-L195 WeakPolarHBondContact O-CB 3.44Å; T191-L195 WeakPolarHBondContact O-CG 3.48Å; T191-L195 PolarHBondContact O-N 3.36Å
192	S	98.5	Very high	97.6	Very high	31 Å²	31	45.6 Å²	45.6	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-41.6	178.6	62.9	0	0	0	0	112.1	Y107 F188 L189 K196	Y107-S192 WeakPolarHBondContact OH-CB 3.49Å; F188-S192 WeakPolarHBondContact O-CB 3.31Å; F188-S192 PolarHBondContact O-N 2.85Å; F188-S192 PolarHBondContact O-OG 3.42Å; L189-S192 PolarHBondContact O-OG 3.29Å; S192-K196 WeakPolarHBondContact O-CB 3.38Å; S192-K196 PolarHBondContact O-N 2.8Å
193	I	98.8	Very high	98	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-74	-33.9	177.8	-59.1	-62.6	0	0	0	111.7	D35 V38 Y39 L42 L189 T191 K196 Y197	D35-I193 HydrophobicContact CB-CD1 3.74Å; V38-I193 HydrophobicContact CB-CB 4.33Å; V38-I193 HydrophobicContact CB-CG1 4.45Å; V38-I193 HydrophobicContact CB-CG2 3.99Å; V38-I193 HydrophobicContact CG1-CB 3.78Å; V38-I193 HydrophobicContact CG1-CG1 4.32Å; V38-I193 HydrophobicContact CG1-CG2 3.66Å; Y39-I193 HydrophobicContact CD2-CG2 4.24Å; L42-I193 HydrophobicContact CD1-CG2 3.95Å; L189-I193 HydrophobicContact CD1-CG1 4.01Å; L189-I193 WeakPolarHBondContact O-CB 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.13Å; L189-I193 VanDerWaalsContact O-N 3.16Å; T191-I193 PolarHBondContact O-N 3.24Å; I193-K196 PolarHBondContact O-N 3.18Å; I193-Y197 VanDerWaalsContact O-CB 3.29Å; I193-Y197 WeakPolarHBondContact O-CB 3.4Å; I193-Y197 PolarHBondContact O-N 3.37Å
194	A	98.8	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-47.6	171.8	0	0	0	0	0	111.9	L42 I80 L175 Y190 T191 K196 Y197 Y198	L42-A194 HydrophobicContact CD1-CB 4.28Å; I80-A194 HydrophobicContact CD1-CB 4.06Å; I80-A194 HydrophobicContact CG1-CB 4.37Å; I80-A194 HydrophobicContact CG2-CB 4.46Å; L175-A194 HydrophobicContact CD1-CB 4.03Å; Y190-A194 WeakPolarHBondContact O-CB 3.38Å; Y190-A194 PolarHBondContact O-N 2.98Å; T191-A194 PolarHBondContact O-N 3.32Å; A194-K196 VanDerWaalsContact C-N 3.32Å; A194-K196 PolarHBondContact O-N 3.28Å; A194-Y197 PolarHBondContact O-N 3.24Å; A194-Y198 WeakPolarHBondContact O-CD2 3.31Å; A194-Y198 PolarHBondContact O-N 3.3Å
195	L	98.7	Very high	98.3	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-47	173.6	-77.3	167.6	0	0	0	110.9	I80 Y107 L113 T191 K199	I80-L195 HydrophobicContact CB-CD2 4.02Å; I80-L195 HydrophobicContact CB-CG 4.33Å; I80-L195 HydrophobicContact CG1-CD2 3.59Å; I80-L195 HydrophobicContact CG1-CG 3.88Å; Y107-L195 HydrophobicContact CD1-CD1 3.71Å; Y107-L195 HydrophobicContact CD2-CD1 4.12Å; Y107-L195 HydrophobicContact CE1-CD1 3.99Å; Y107-L195 HydrophobicContact CE2-CD1 4.37Å; Y107-L195 HydrophobicContact CG-CD1 3.78Å; L113-L195 HydrophobicContact CB-CD1 4.47Å; T191-L195 WeakPolarHBondContact O-CB 3.44Å; T191-L195 WeakPolarHBondContact O-CG 3.48Å; T191-L195 PolarHBondContact O-N 3.36Å; L195-K199 WeakPolarHBondContact O-CB 3.38Å; L195-K199 WeakPolarHBondContact O-CG 3.33Å; L195-K199 PolarHBondContact O-N 3.44Å
196	K	98.6	Very high	98.3	Very high	104 Å²	104	47 Å²	47	45%	0.452	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-53	177.2	178.7	172.8	172.1	45.7	0	111.8	Y39 S192 I193 A194 Y198 K199 D200	Y39-K196 HydrophobicContact CE2-CG 4.47Å; S192-K196 WeakPolarHBondContact O-CB 3.38Å; S192-K196 PolarHBondContact O-N 2.8Å; I193-K196 PolarHBondContact O-N 3.18Å; A194-K196 VanDerWaalsContact C-N 3.32Å; A194-K196 PolarHBondContact O-N 3.28Å; K196-Y198 PolarHBondContact O-N 3.48Å; K196-K199 PolarHBondContact O-N 2.87Å; K196-D200 IonicContact NZ-OD1 3.15Å; K196-D200 IonicContact NZ-OD2 3.5Å; K196-D200 PolarHBondContact NZ-OD2 2.91Å; K196-D200 VanDerWaalsContact NZ-OD2 3.15Å; K196-D200 WeakPolarHBondContact O-CB 3.28Å; K196-D200 PolarHBondContact O-N 3.04Å
197	Y	98.8	Very high	98.1	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-48	-177.5	176	-93.7	0	0	0	112.5	Y39 L42 Q43 D46 I193 A194 D200 R201	Y39-Y197 HydrophobicContact CD1-CD2 4.15Å; Y39-Y197 HydrophobicContact CD2-CD2 4.19Å; Y39-Y197 AromaticContact CE1-CD2 3.75Å; Y39-Y197 HydrophobicContact CE1-CD2 3.75Å; Y39-Y197 HydrophobicContact CE1-CE2 4.16Å; Y39-Y197 AromaticContact CE2-CD2 3.81Å; Y39-Y197 HydrophobicContact CE2-CD2 3.81Å; Y39-Y197 HydrophobicContact CE2-CG 4.37Å; Y39-Y197 HydrophobicContact CG-CD2 4.35Å; Y39-Y197 AromaticContact CZ-CD2 3.56Å; L42-Y197 HydrophobicContact CB-CD1 4.12Å; L42-Y197 HydrophobicContact CB-CD2 3.97Å; L42-Y197 HydrophobicContact CB-CE1 4.37Å; L42-Y197 HydrophobicContact CB-CE2 4.24Å; L42-Y197 HydrophobicContact CB-CG 3.92Å; L42-Y197 HydrophobicContact CD1-CD1 4.48Å; L42-Y197 HydrophobicContact CD1-CG 4.04Å; Q43-Y197 HydrophobicContact CB-CE2 4.39Å; Q43-Y197 HydrophobicContact CG-CD2 4.47Å; Q43-Y197 HydrophobicContact CG-CE2 3.65Å; D46-Y197 HydrophobicContact CB-CE1 3.79Å; D46-Y197 VanDerWaalsContact CB-OH 3.32Å; D46-Y197 WeakPolarHBondContact CB-OH 3.29Å; D46-Y197 WeakPolarHBondContact OD2-CE1 3.49Å; D46-Y197 PolarHBondContact OD2-OH 2.98Å; I193-Y197 VanDerWaalsContact O-CB 3.29Å; I193-Y197 WeakPolarHBondContact O-CB 3.4Å; I193-Y197 PolarHBondContact O-N 3.37Å; A194-Y197 PolarHBondContact O-N 3.24Å; Y197-D200 PolarHBondContact O-N 3.34Å; Y197-R201 PolarHBondContact O-N 3.18Å; Y197-R201 PolarHBondContact OH-NE 2.83Å; Y197-R201 PolarHBondContact OH-NH2 2.78Å
198	Y	98.6	Very high	97.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-77.9	-25.4	-178.2	-76.1	-70.1	0	0	0	113.1	D46 I80 P170 N173 L175 A194 K196 R201 G202 Q203	D46-Y198 VanDerWaalsContact OD1-CE1 3.27Å; D46-Y198 WeakPolarHBondContact OD1-CE1 3.31Å; D46-Y198 PolarHBondContact OD1-OH 3.35Å; I80-Y198 HydrophobicContact CD1-CD2 3.73Å; I80-Y198 HydrophobicContact CD1-CE2 4.39Å; I80-Y198 HydrophobicContact CD1-CG 4.45Å; P170-Y198 HydrophobicContact CG-CD1 3.44Å; P170-Y198 VanDerWaalsContact CG-CD1 3.44Å; P170-Y198 HydrophobicContact CG-CD2 4.42Å; P170-Y198 HydrophobicContact CG-CE1 3.71Å; P170-Y198 HydrophobicContact CG-CG 3.83Å; N173-Y198 PolarHBondContact ND2-OH 3.14Å; L175-Y198 HydrophobicContact CD1-CE2 3.9Å; L175-Y198 HydrophobicContact CD2-CE2 4.26Å; A194-Y198 WeakPolarHBondContact O-CD2 3.31Å; A194-Y198 PolarHBondContact O-N 3.3Å; K196-Y198 PolarHBondContact O-N 3.48Å; Y198-R201 PolarHBondContact O-N 2.89Å; Y198-G202 PolarHBondContact O-N 3.21Å; Y198-Q203 HydrophobicContact CD1-CB 4.18Å; Y198-Q203 VanDerWaalsContact CD1-OE1 3.3Å; Y198-Q203 PolarHBondContact O-N 3.15Å
199	K	98.4	Very high	97.7	Very high	93 Å²	93	52.4 Å²	52.4	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-67.2	-44.2	167.7	-78.9	176.9	-178.8	178.6	0	111.9	D111 L195 K196 R201 G202 I204	D111-K199 WeakPolarHBondContact O-CE 3.28Å; D111-K199 PolarHBondContact O-NZ 3.41Å; L195-K199 WeakPolarHBondContact O-CB 3.38Å; L195-K199 WeakPolarHBondContact O-CG 3.33Å; L195-K199 PolarHBondContact O-N 3.44Å; K196-K199 PolarHBondContact O-N 2.87Å; K199-R201 PolarHBondContact O-N 3.18Å; K199-R201 VanDerWaalsContact O-N 3.07Å; K199-G202 PolarHBondContact O-N 3.44Å; K199-I204 HydrophobicContact CG-CB 3.9Å; K199-I204 HydrophobicContact CG-CG1 3.98Å; K199-I204 HydrophobicContact CG-CG2 4.3Å
200	D	98.3	Very high	97.3	Very high	96 Å²	96	53 Å²	53	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-21.3	176.9	-69.6	-17.4	0	0	0	111.6	K196 Y197	K196-D200 IonicContact NZ-OD1 3.15Å; K196-D200 IonicContact NZ-OD2 3.5Å; K196-D200 PolarHBondContact NZ-OD2 2.91Å; K196-D200 VanDerWaalsContact NZ-OD2 3.15Å; K196-D200 WeakPolarHBondContact O-CB 3.28Å; K196-D200 PolarHBondContact O-N 3.04Å; Y197-D200 PolarHBondContact O-N 3.34Å
201	R	98.1	Very high	96.9	Very high	115 Å²	115	56 Å²	56	43%	0.434	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.7	174	-69.1	-179.9	170.1	-94.2	11.4	115.3	D46 Y197 Y198 K199 Q203	D46-R201 IonicContact OD2-CZ 2.73Å; D46-R201 IonicContact OD2-NE 4Å; D46-R201 IonicContact OD2-NH2 3.59Å; Y197-R201 PolarHBondContact O-N 3.18Å; Y197-R201 PolarHBondContact OH-NE 2.83Å; Y197-R201 PolarHBondContact OH-NH2 2.78Å; Y198-R201 PolarHBondContact O-N 2.89Å; K199-R201 PolarHBondContact O-N 3.18Å; K199-R201 VanDerWaalsContact O-N 3.07Å; R201-Q203 VanDerWaalsContact C-N 3.31Å; R201-Q203 HydrophobicContact CB-CG 4.09Å; R201-Q203 PolarHBondContact O-N 2.78Å
202	G	97.9	Very high	96.6	Very high	69 Å²	69	62.9 Å²	62.9	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	28.6	-178.3	0	0	0	0	0	114.4	Y198 K199	Y198-G202 PolarHBondContact O-N 3.21Å; K199-G202 PolarHBondContact O-N 3.44Å
203	Q	98.1	Very high	96.1	Very high	70 Å²	70	63.3 Å²	63.3	33%	0.327	32%	0.318	S	S	.	.			trans	-103.3	1.9	-177.1	-62.9	-176.7	14.9	0	0	113.7	G78 P170 Y198 R201	G78-Q203 VanDerWaalsContact CA-O 3.31Å; G78-Q203 WeakPolarHBondContact CA-O 3.38Å; P170-Q203 HydrophobicContact CB-CB 4.45Å; P170-Q203 WeakPolarHBondContact CB-O 3.33Å; P170-Q203 HydrophobicContact CG-CB 3.98Å; Y198-Q203 HydrophobicContact CD1-CB 4.18Å; Y198-Q203 VanDerWaalsContact CD1-OE1 3.3Å; Y198-Q203 PolarHBondContact O-N 3.15Å; R201-Q203 VanDerWaalsContact C-N 3.31Å; R201-Q203 HydrophobicContact CB-CG 4.09Å; R201-Q203 PolarHBondContact O-N 2.78Å
204	I	98.4	Very high	95.1	Very high	29 Å²	29	66.6 Å²	66.6	15%	0.149	33%	0.33	C	S	.	.			trans	-102.9	128.5	177.2	-61.5	-60.1	0	0	0	110.1	G78 I80 P170 K199	G78-I204 CarbonylContact O-C 3.53Å; G78-I204 VanDerWaalsContact O-CA 3.27Å; G78-I204 WeakPolarHBondContact O-CA 3.21Å; I80-I204 HydrophobicContact CD1-CD1 4.06Å; I80-I204 HydrophobicContact CG1-CD1 4Å; P170-I204 HydrophobicContact CB-CD1 4.28Å; K199-I204 HydrophobicContact CG-CB 3.9Å; K199-I204 HydrophobicContact CG-CG1 3.98Å; K199-I204 HydrophobicContact CG-CG2 4.3Å
205	R	97.3	Very high	94.3	Very high	117 Å²	117	70.6 Å²	70.6	44%	0.442	35%	0.348	S	S	.	.			trans	-96.6	153.2	177.3	-65.6	170.5	64.5	-150.1	-4.5	110.8	C77 G78 K79 D207	C77-R205 WeakPolarHBondContact O-CD 3.43Å; C77-R205 PolarHBondContact O-NH1 3.11Å; G78-R205 PolarHBondContact O-N 3.41Å; K79-R205 PolarHBondContact NZ-O 2.78Å; R205-D207 WeakPolarHBondContact CB-OD1 3.35Å; R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 2.83Å; R205-D207 IonicContact NE-OD1 3.98Å; R205-D207 IonicContact NE-OD2 3.63Å; R205-D207 IonicContact NH1-OD2 3.66Å; R205-D207 PolarHBondContact NH1-OD2 3.38Å; R205-D207 IonicContact NH2-OD1 2.87Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 3.2Å
206	D	95.8	Very high	93.3	Very high	128 Å²	128	76.6 Å²	76.6	68%	0.684	38%	0.38	S	S	*	.			trans	-107.3	13.2	-177.9	64.7	-23.6	0	0	0	113.5
207	D	94.8	Very high	92.2	Very high	46 Å²	46	75.1 Å²	75.1	25%	0.246	38%	0.383	C	S	.	.			trans	-70.4	154.7	176.5	60.9	-39.1	0	0	0	112.5	K79 R205	K79-D207 WeakPolarHBondContact CE-OD1 3.39Å; K79-D207 PolarHBondContact NZ-O 2.78Å; K79-D207 IonicContact NZ-OD1 3.78Å; K79-D207 PolarHBondContact NZ-OD1 2.82Å; K79-D207 VanDerWaalsContact NZ-OD1 3.14Å; R205-D207 WeakPolarHBondContact CB-OD1 3.35Å; R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 2.83Å; R205-D207 IonicContact NE-OD1 3.98Å; R205-D207 IonicContact NE-OD2 3.63Å; R205-D207 IonicContact NH1-OD2 3.66Å; R205-D207 PolarHBondContact NH1-OD2 3.38Å; R205-D207 IonicContact NH2-OD1 2.87Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 3.2Å
208	K	94.5	Very high	91	Very high	147 Å²	147	77.8 Å²	77.8	64%	0.639	40%	0.397	S	S	*	.			trans	-87.1	153.8	-179.4	-71.9	-168.5	170.4	-166.9	0	112.3	D109 K110	D109-K208 VanDerWaalsContact OD2-CA 3.25Å; D109-K208 WeakPolarHBondContact OD2-CA 3.38Å; D109-K208 WeakPolarHBondContact OD2-CB 3.37Å; K110-K208 HydrophobicContact CG-CG 4.4Å
209	I	93.4	Very high	90	Very high	21 Å²	21	82.8 Å²	82.8	11%	0.108	43%	0.429	C	S	.	.			trans	-107.6	138.4	168.8	-54.4	-61.4	0	0	0	109.1	I70 D109 L114 I211	I70-I209 HydrophobicContact CD1-CG2 3.97Å; D109-I209 PolarHBondContact OD2-N 3.35Å; L114-I209 HydrophobicContact CD1-CB 4.45Å; L114-I209 HydrophobicContact CD1-CG1 4.44Å; L114-I209 HydrophobicContact CD2-CG1 4.29Å; L114-I209 HydrophobicContact CD2-CG2 4.23Å; I209-I211 PolarHBondContact O-N 2.88Å
210	G	90.9	Very high	89.3	Confident	32 Å²	32	84.7 Å²	84.7	33%	0.33	45%	0.451	S	S	.	.			trans	-71.8	95.2	-177.6	0	0	0	0	0	112.3	T66 E67	T66-G210 WeakPolarHBondContact CA-O 3.41Å; E67-G210 PolarHBondContact N-O 3.24Å
211	I	90.2	Very high	88.7	Confident	62 Å²	62	82 Å²	82	32%	0.318	44%	0.44	S	S	.	.			trans	-101.9	129.7	178.9	-62.6	172.1	0	0	0	109.6	N65 I209 L213	N65-I211 WeakPolarHBondContact O-CA 3.44Å; N65-I211 WeakPolarHBondContact O-CG2 3.46Å; I209-I211 PolarHBondContact O-N 2.88Å; I211-L213 HydrophobicContact CG2-CD2 3.69Å; I211-L213 HydrophobicContact CG2-CG 4.3Å
212	K	91	Very high	88.4	Confident	145 Å²	145	80.1 Å²	80.1	63%	0.63	44%	0.442	S	S	*	.			trans	-132.6	103.1	176.3	-176.8	-179	177.8	-177.4	0	110.5	N65 E67	N65-K212 CarbonylContact C-O 3.57Å; N65-K212 VanDerWaalsContact CA-O 3.28Å; N65-K212 WeakPolarHBondContact CA-O 3.33Å; N65-K212 PolarHBondContact O-N 3.44Å; E67-K212 HydrophobicContact CG-CB 4.18Å
213	L	88.2	Confident	88.3	Confident	41 Å²	41	76.9 Å²	76.9	22%	0.215	41%	0.409	C	S	.	.			trans	-75.4	131.3	-173.8	-54.7	-178.5	0	0	0	111.6	N65 T142 I211 K215	N65-L213 HydrophobicContact CB-CD2 4.28Å; T142-L213 HydrophobicContact CG2-CD1 4.24Å; T142-L213 VanDerWaalsContact O-CD2 3.23Å; T142-L213 WeakPolarHBondContact O-CD2 3.34Å; I211-L213 HydrophobicContact CG2-CD2 3.69Å; I211-L213 HydrophobicContact CG2-CG 4.3Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 HydrophobicContact CB-CG 4.18Å; L213-K215 PolarHBondContact O-N 2.88Å
214	Y	79.3	Confident	88.2	Confident	78 Å²	78	75.6 Å²	75.6	31%	0.306	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-69.9	-30.1	-179.2	-171.4	-108.3	0	0	0	113	N65 K133 L137 D216 S217 L218	N65-Y214 PolarHBondContact OD1-N 3.36Å; K133-Y214 HydrophobicContact CD-CD1 4.23Å; K133-Y214 HydrophobicContact CD-CE1 4.02Å; K133-Y214 HydrophobicContact CD-CE2 4.48Å; K133-Y214 VanDerWaalsContact CE-CD2 3.43Å; K133-Y214 WeakPolarHBondContact CE-OH 3.26Å; K133-Y214 HydrophobicContact CG-CD1 3.72Å; K133-Y214 HydrophobicContact CG-CE1 3.93Å; K133-Y214 HydrophobicContact CG-CG 4.17Å; K133-Y214 PolarHBondContact NZ-OH 3.07Å; L137-Y214 HydrophobicContact CD1-CD1 3.67Å; L137-Y214 HydrophobicContact CD1-CE1 3.84Å; L137-Y214 HydrophobicContact CD2-CD1 3.95Å; L137-Y214 HydrophobicContact CG-CD1 4.02Å; Y214-D216 PolarHBondContact O-N 3.43Å; Y214-D216 VanDerWaalsContact O-N 3.11Å; Y214-S217 WeakPolarHBondContact CD2-OG 3.47Å; Y214-S217 VanDerWaalsContact CE2-OG 3.26Å; Y214-S217 WeakPolarHBondContact CE2-OG 3.31Å; Y214-S217 PolarHBondContact O-N 3.45Å; Y214-S217 PolarHBondContact O-OG 3.2Å; Y214-L218 HydrophobicContact CE1-CD2 3.86Å; Y214-L218 HydrophobicContact CE1-CG 4.49Å
215	K	80.3	Confident	88.1	Confident	85 Å²	85	74.6 Å²	74.6	37%	0.37	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-57.9	-27.2	-179.6	69	-178	177.2	-174.2	0	113.9	L137 N140 L213 S217 L218	L137-K215 VanDerWaalsContact CD2-CA 3.48Å; L137-K215 HydrophobicContact CD2-CB 3.61Å; N140-K215 PolarHBondContact OD1-NZ 3Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 HydrophobicContact CB-CG 4.18Å; L213-K215 PolarHBondContact O-N 2.88Å; K215-S217 PolarHBondContact O-N 2.98Å; K215-L218 PolarHBondContact O-N 2.82Å
216	D	78.7	Confident	88.2	Confident	129 Å²	129	69 Å²	69	69%	0.69	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-72.2	-9.1	-179.5	-59.7	-22.3	0	0	0	112.6	Y214	Y214-D216 PolarHBondContact O-N 3.43Å; Y214-D216 VanDerWaalsContact O-N 3.11Å
217	S	74.6	Confident	88.3	Confident	74 Å²	74	63 Å²	63	52%	0.517	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-105.5	-1.6	-177.8	70.8	0	0	0	0	114.8	Y214 K215	Y214-S217 WeakPolarHBondContact CD2-OG 3.47Å; Y214-S217 VanDerWaalsContact CE2-OG 3.26Å; Y214-S217 WeakPolarHBondContact CE2-OG 3.31Å; Y214-S217 PolarHBondContact O-N 3.45Å; Y214-S217 PolarHBondContact O-OG 3.2Å; K215-S217 PolarHBondContact O-N 2.98Å
218	L	74.4	Confident	88.5	Confident	57 Å²	57	61.1 Å²	61.1	30%	0.298	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-79.3	134.8	-174.5	-70.8	174.5	0	0	0	112.8	L137 Y214 K215	L137-L218 HydrophobicContact CD1-CD1 3.63Å; L137-L218 HydrophobicContact CD1-CD2 4Å; L137-L218 HydrophobicContact CD1-CG 4.23Å; L137-L218 HydrophobicContact CD2-CD1 3.66Å; L137-L218 HydrophobicContact CD2-CG 4.44Å; L137-L218 HydrophobicContact CG-CD1 4.16Å; Y214-L218 HydrophobicContact CE1-CD2 3.86Å; Y214-L218 HydrophobicContact CE1-CG 4.49Å; K215-L218 PolarHBondContact O-N 2.82Å
219	P	78.4	Confident	88.7	Confident	104 Å²	104	54.5 Å²	54.5	68%	0.675	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-70.7	146.9	169.5	30.6	-33.4	0	0	0	110.6	S221	P219-S221 PolarHBondContact O-N 2.73Å
220	P	82.1	Confident	89	Confident	133 Å²	133	54.6 Å²	54.6	86%	0.864	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-65.2	135.5	172.2	27.4	-32.9	0	0	0	110.6
221	S	86.6	Confident	89.3	Confident	40 Å²	40	53.2 Å²	53.2	28%	0.28	29%	0.294	S	S	.	.			trans	-127.8	151.2	176.8	167.8	0	0	0	0	109.4	P219 L223 H245	P219-S221 PolarHBondContact O-N 2.73Å; S221-L223 WeakPolarHBondContact CB-O 3.47Å; S221-L223 PolarHBondContact O-N 3.24Å; S221-L223 PolarHBondContact OG-N 3.31Å; S221-L223 PolarHBondContact OG-O 2.93Å; S221-H245 PolarHBondContact O-CE1 2.93Å; S221-H245 VanDerWaalsContact O-CE1 3.24Å
222	P	91.3	Very high	89.7	Confident	75 Å²	75	50.6 Å²	50.6	49%	0.487	28%	0.281	S	S	.	.	S	Bend	trans	-62.3	-28.4	176.3	24.6	-35.2	0	0	0	113.4	R247 I571	P222-R247 PolarHBondContact O-NH2 2.81Å; P222-I571 HydrophobicContact CB-CB 4.47Å; P222-I571 HydrophobicContact CB-CG2 4.29Å
223	L	95.6	Very high	89.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	27%	0.268	C	S	.	.			trans	-121.3	150.2	171.8	-58.3	175.4	0	0	0	109	S221 P226 I240 D242 L249 H554 I556 I571	S221-L223 WeakPolarHBondContact CB-O 3.47Å; S221-L223 PolarHBondContact O-N 3.24Å; S221-L223 PolarHBondContact OG-N 3.31Å; S221-L223 PolarHBondContact OG-O 2.93Å; L223-P226 HydrophobicContact CB-CG 4.28Å; L223-P226 HydrophobicContact CD1-CB 4.42Å; L223-P226 HydrophobicContact CD1-CG 4.16Å; L223-I240 HydrophobicContact CD2-CG2 4.28Å; L223-D242 WeakPolarHBondContact CA-OD1 3.47Å; L223-D242 HydrophobicContact CD2-CB 4.25Å; L223-L249 HydrophobicContact CD2-CD1 3.52Å; L223-H554 WeakPolarHBondContact O-CB 3.45Å; L223-I556 HydrophobicContact CD1-CD1 4.36Å; L223-I556 HydrophobicContact CD1-CG1 3.94Å; L223-I571 HydrophobicContact CD1-CG1 4.32Å
224	L	96	Very high	89.8	Confident	42 Å²	42	51 Å²	51	22%	0.22	29%	0.292	C	S	.	.	S	Bend	trans	-135.6	109	174.8	-177.5	61	0	0	0	108.3	D242 G244 H245	L224-D242 PolarHBondContact N-OD1 2.81Å; L224-G244 WeakPolarHBondContact O-CA 3.38Å; L224-G244 PolarHBondContact O-N 2.75Å; L224-H245 WeakPolarHBondContact CB-CE1 3.48Å
225	F	97.6	Very high	90.5	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.035	29%	0.293	C	S	.	.	S	Bend	trans	47.4	58.7	-176.7	-57.3	-73.9	0	0	0	114	L137 R138 G227 T243 T551 N552 H554	L137-F225 HydrophobicContact CB-CE2 3.68Å; L137-F225 HydrophobicContact CB-CZ 3.74Å; L137-F225 HydrophobicContact CD1-CE2 4.42Å; L137-F225 HydrophobicContact CD1-CZ 3.98Å; R138-F225 HydrophobicContact CG-CB 3.83Å; R138-F225 HydrophobicContact CG-CD1 3.39Å; R138-F225 HydrophobicContact CG-CD2 3.67Å; R138-F225 HydrophobicContact CG-CE1 3.72Å; R138-F225 HydrophobicContact CG-CE2 4.01Å; R138-F225 HydrophobicContact CG-CG 3.35Å; R138-F225 HydrophobicContact CG-CZ 4.03Å; F225-G227 PolarHBondContact O-N 3.45Å; F225-G227 VanDerWaalsContact O-N 3.09Å; F225-T243 VanDerWaalsContact O-CB 3.27Å; F225-T243 WeakPolarHBondContact O-CB 3.42Å; F225-T243 PolarHBondContact O-OG1 3.35Å; F225-T551 WeakPolarHBondContact CA-O 3.43Å; F225-T551 HydrophobicContact CB-CG2 3.87Å; F225-T551 HydrophobicContact CD1-CG2 4.3Å; F225-N552 WeakPolarHBondContact CD1-OD1 3.14Å; F225-H554 AromaticContact CD1-CE1 3.54Å; F225-H554 AromaticContact CD1-ND1 3.86Å; F225-H554 AromaticContact CD2-CE1 3.98Å; F225-H554 AromaticContact CE1-CE1 3.4Å; F225-H554 VanDerWaalsContact CE1-CE1 3.4Å; F225-H554 WeakPolarHBondContact CE1-CE1 3.19Å; F225-H554 AromaticContact CE2-CE1 3.82Å; F225-H554 AromaticContact CG-CE1 3.84Å; F225-H554 AromaticContact CZ-CE1 3.54Å; F225-H554 PolarHBondContact N-ND1 3.12Å; F225-H554 VanDerWaalsContact N-ND1 3.19Å
226	P	98.6	Very high	91.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.288	C	S	.	.			trans	-63.4	114.6	179.6	28.4	-34.7	0	0	0	110.4	L223 I240 A241 T551 I556	L223-P226 HydrophobicContact CB-CG 4.28Å; L223-P226 HydrophobicContact CD1-CB 4.42Å; L223-P226 HydrophobicContact CD1-CG 4.16Å; P226-I240 HydrophobicContact CB-CG2 4.05Å; P226-A241 CarbonylContact C-O 3.55Å; P226-A241 VanDerWaalsContact CA-O 3.27Å; P226-A241 WeakPolarHBondContact CA-O 3.31Å; P226-T551 PolarHBondContact O-OG1 3.25Å; P226-I556 HydrophobicContact CB-CD1 4.3Å; P226-I556 HydrophobicContact CG-CD1 4.44Å
227	G	98.5	Very high	92	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	26%	0.257	C	S	.	.			trans	-82.1	-36.3	-173.2	0	0	0	0	0	114.2	F225 A241 T243 G535 G536	F225-G227 PolarHBondContact O-N 3.45Å; F225-G227 VanDerWaalsContact O-N 3.09Å; G227-A241 PolarHBondContact N-O 2.8Å; G227-A241 VanDerWaalsContact N-O 3.1Å; G227-T243 WeakPolarHBondContact CA-OG1 3.45Å; G227-T243 PolarHBondContact N-OG1 2.96Å; G227-T243 VanDerWaalsContact N-OG1 3.08Å; G227-G535 CarbonylContact O-C 3.2Å; G227-G535 VanDerWaalsContact O-CA 3.29Å; G227-G535 WeakPolarHBondContact O-CA 3.45Å; G227-G536 PolarHBondContact O-N 2.99Å
228	K	98.9	Very high	93.1	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.4	-177.4	-62.7	-66.1	-173.9	-167	0	112.7	A241 Q282 V284 S413 L478 G535	K228-A241 HydrophobicContact CB-CB 4.27Å; K228-A241 PolarHBondContact O-N 2.72Å; K228-Q282 WeakPolarHBondContact CB-O 3.31Å; K228-Q282 VanDerWaalsContact CG-C 3.47Å; K228-Q282 HydrophobicContact CG-CB 4.28Å; K228-V284 HydrophobicContact CB-CG2 4.22Å; K228-S413 WeakPolarHBondContact CE-O 3.15Å; K228-S413 PolarHBondContact NZ-O 3.31Å; K228-L478 PolarHBondContact NZ-O 2.82Å; K228-G535 WeakPolarHBondContact CE-O 3.47Å; K228-G535 PolarHBondContact NZ-O 2.83Å
229	V	98.9	Very high	94.3	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.4	173	63.8	0	0	0	0	109.9	L238 V239 I240 C538 A549 I556	V229-L238 HydrophobicContact CG2-CD2 3.77Å; V229-V239 CarbonylContact C-O 3.59Å; V229-V239 WeakPolarHBondContact CA-O 3.21Å; V229-I240 HydrophobicContact CG2-CG1 3.96Å; V229-C538 WeakPolarHBondContact O-CB 3.27Å; V229-A549 HydrophobicContact CB-CB 4.26Å; V229-A549 HydrophobicContact CG1-CB 4.01Å; V229-I556 HydrophobicContact CB-CD1 4.32Å
230	T	98.8	Very high	95.3	Very high	23 Å²	23	31.5 Å²	31.5	14%	0.141	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163.1	172	-164.3	0	0	0	0	111.4	L238 V239 V284 I286	T230-L238 CarbonylContact O-C 3.48Å; T230-L238 VanDerWaalsContact O-CA 3.3Å; T230-L238 WeakPolarHBondContact O-CA 3.47Å; T230-V239 HydrophobicContact CG2-CB 3.8Å; T230-V239 HydrophobicContact CG2-CG2 4.33Å; T230-V239 PolarHBondContact N-O 3.35Å; T230-V239 PolarHBondContact O-N 3.09Å; T230-V284 VanDerWaalsContact CB-O 3.26Å; T230-V284 WeakPolarHBondContact CB-O 3.35Å; T230-V284 HydrophobicContact CG2-CB 4.14Å; T230-V284 HydrophobicContact CG2-CG2 3.87Å; T230-V284 WeakPolarHBondContact CG2-O 3.45Å; T230-I286 HydrophobicContact CG2-CG2 4.01Å
231	V	98.4	Very high	96.1	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.3	-178.7	-174	0	0	0	0	110.3	Q233 R237 L238 C538 Y547	V231-Q233 PolarHBondContact O-N 3.42Å; V231-Q233 PolarHBondContact O-NE2 2.93Å; V231-Q233 VanDerWaalsContact O-NE2 3.08Å; V231-R237 CarbonylContact C-O 3.53Å; V231-R237 WeakPolarHBondContact CA-O 3.37Å; V231-L238 HydrophobicContact CG2-CD2 3.84Å; V231-C538 HydrophobicContact CG2-CB 4.31Å; V231-C538 PolarHBondContact N-SG 3.35Å; V231-Y547 HydrophobicContact CG2-CD2 3.56Å; V231-Y547 HydrophobicContact CG2-CE2 3.84Å; V231-Y547 HydrophobicContact CG2-CG 4.45Å
232	D	96.7	Very high	96.6	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.037	13%	0.132	C	C	.	.			trans	-69.2	114.1	167.2	-172.8	-18	0	0	0	109.5	V234 T235 N236 R237 I286	D232-V234 PolarHBondContact O-N 3.24Å; D232-V234 PolarHBondContact OD1-N 3.5Å; D232-T235 PolarHBondContact OD2-OG1 3.49Å; D232-T235 VanDerWaalsContact OD2-OG1 3.05Å; D232-N236 WeakPolarHBondContact O-CA 3.19Å; D232-N236 PolarHBondContact O-N 2.83Å; D232-R237 HydrophobicContact CB-CB 4.23Å; D232-R237 PolarHBondContact N-O 2.57Å; D232-R237 IonicContact OD2-CZ 2.65Å; D232-R237 IonicContact OD2-NE 3.45Å; D232-R237 IonicContact OD2-NH2 2.86Å; D232-R237 PolarHBondContact OD2-NH2 3.29Å; D232-I286 HydrophobicContact CB-CD1 4.14Å; D232-I286 HydrophobicContact CB-CG1 4.49Å; D232-I286 HydrophobicContact CB-CG2 3.84Å
233	Q	91.2	Very high	97	Very high	77 Å²	77	20.2 Å²	20.2	36%	0.36	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.2	-175.3	-55.9	-56.1	-38.2	0	0	112.9	V231 E541	V231-Q233 PolarHBondContact O-N 3.42Å; V231-Q233 PolarHBondContact O-NE2 2.93Å; V231-Q233 VanDerWaalsContact O-NE2 3.08Å; Q233-E541 HydrophobicContact CB-CB 4.45Å; Q233-E541 WeakPolarHBondContact O-CG 3.27Å; Q233-E541 VanDerWaalsContact OE1-CB 3.27Å; Q233-E541 PolarHBondContact OE1-OE2 3.22Å
234	V	91.4	Very high	97	Very high	118 Å²	118	21 Å²	21	72%	0.715	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-49	179.8	-178.8	0	0	0	0	111	D232	D232-V234 PolarHBondContact O-N 3.24Å; D232-V234 PolarHBondContact OD1-N 3.5Å
235	T	93.1	Very high	97	Very high	54 Å²	54	20.6 Å²	20.6	33%	0.331	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-6.3	-171.5	73.5	0	0	0	0	113.9	D232 R237	D232-T235 PolarHBondContact OD2-OG1 3.49Å; D232-T235 VanDerWaalsContact OD2-OG1 3.05Å; T235-R237 PolarHBondContact O-N 2.81Å; T235-R237 VanDerWaalsContact OG1-CG 3.31Å; T235-R237 WeakPolarHBondContact OG1-CG 3.49Å; T235-R237 PolarHBondContact OG1-N 3.49Å; T235-R237 PolarHBondContact OG1-NE 2.7Å
236	N	93.9	Very high	97	Very high	51 Å²	51	21.7 Å²	21.7	27%	0.273	12%	0.123	S	C	.	.			trans	56.7	26.9	-172.2	-59	-77.1	0	0	0	114.2	D232	D232-N236 WeakPolarHBondContact O-CA 3.19Å; D232-N236 PolarHBondContact O-N 2.83Å
237	R	96.7	Very high	97	Very high	11 Å²	11	22.1 Å²	22.1	4%	0.042	12%	0.124	C	C	.	.			trans	-76.5	152.4	169.3	-73.5	174.4	-61.2	177.8	1	109.2	V231 D232 T235 V251 W252 N289	V231-R237 CarbonylContact C-O 3.53Å; V231-R237 WeakPolarHBondContact CA-O 3.37Å; D232-R237 HydrophobicContact CB-CB 4.23Å; D232-R237 PolarHBondContact N-O 2.57Å; D232-R237 IonicContact OD2-CZ 2.65Å; D232-R237 IonicContact OD2-NE 3.45Å; D232-R237 IonicContact OD2-NH2 2.86Å; D232-R237 PolarHBondContact OD2-NH2 3.29Å; T235-R237 PolarHBondContact O-N 2.81Å; T235-R237 VanDerWaalsContact OG1-CG 3.31Å; T235-R237 WeakPolarHBondContact OG1-CG 3.49Å; T235-R237 PolarHBondContact OG1-N 3.49Å; T235-R237 PolarHBondContact OG1-NE 2.7Å; R237-V251 CarbonylContact C-O 3.58Å; R237-V251 WeakPolarHBondContact CA-O 3.48Å; R237-W252 HydrophobicContact CG-CD2 4.14Å; R237-W252 HydrophobicContact CG-CE3 3.49Å; R237-W252 VanDerWaalsContact CG-CE3 3.49Å; R237-W252 HydrophobicContact CG-CH2 4.27Å; R237-W252 HydrophobicContact CG-CZ3 3.57Å; R237-N289 PolarHBondContact NH2-OD1 3.06Å
238	L	98.4	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.9	173	-64.1	134.7	0	0	0	109.1	V229 T230 V231 V250 V251 Y547 L569	V229-L238 HydrophobicContact CG2-CD2 3.77Å; T230-L238 CarbonylContact O-C 3.48Å; T230-L238 VanDerWaalsContact O-CA 3.3Å; T230-L238 WeakPolarHBondContact O-CA 3.47Å; V231-L238 HydrophobicContact CG2-CD2 3.84Å; L238-V250 WeakPolarHBondContact O-CA 3.43Å; L238-V251 HydrophobicContact CB-CG2 3.6Å; L238-V251 HydrophobicContact CD1-CG2 3.94Å; L238-V251 HydrophobicContact CG-CG2 4.42Å; L238-V251 PolarHBondContact N-O 3.03Å; L238-V251 PolarHBondContact O-N 3.44Å; L238-Y547 HydrophobicContact CD1-CD1 4.31Å; L238-Y547 HydrophobicContact CD1-CE1 3.97Å; L238-Y547 HydrophobicContact CD2-CD1 3.53Å; L238-Y547 HydrophobicContact CD2-CD2 3.78Å; L238-Y547 HydrophobicContact CD2-CE1 3.84Å; L238-Y547 HydrophobicContact CD2-CE2 4.06Å; L238-Y547 HydrophobicContact CD2-CG 3.49Å; L238-Y547 VanDerWaalsContact CD2-CG 3.49Å; L238-Y547 HydrophobicContact CG-CE1 4.44Å; L238-L569 HydrophobicContact CD1-CD2 3.75Å
239	V	98.8	Very high	97	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.4	165.2	-177.1	0	0	0	0	107.2	V229 T230 I248 L249 V250 V284 I286 I291	V229-V239 CarbonylContact C-O 3.59Å; V229-V239 WeakPolarHBondContact CA-O 3.21Å; T230-V239 HydrophobicContact CG2-CB 3.8Å; T230-V239 HydrophobicContact CG2-CG2 4.33Å; T230-V239 PolarHBondContact N-O 3.35Å; T230-V239 PolarHBondContact O-N 3.09Å; V239-I248 HydrophobicContact CG1-CG2 3.58Å; V239-L249 CarbonylContact C-O 3.52Å; V239-L249 WeakPolarHBondContact CA-O 3.46Å; V239-V250 HydrophobicContact CG2-CG2 4.45Å; V239-V284 HydrophobicContact CB-CB 4.47Å; V239-V284 HydrophobicContact CB-CG2 4.47Å; V239-V284 HydrophobicContact CG1-CB 3.88Å; V239-V284 HydrophobicContact CG1-CG1 3.89Å; V239-V284 HydrophobicContact CG1-CG2 4.2Å; V239-I286 HydrophobicContact CG2-CB 4.07Å; V239-I286 HydrophobicContact CG2-CD1 3.85Å; V239-I286 HydrophobicContact CG2-CG2 4.1Å; V239-I291 HydrophobicContact CG1-CD1 4.02Å; V239-I291 HydrophobicContact CG1-CG2 4Å; V239-I291 HydrophobicContact CG2-CD1 3.74Å; V239-I291 HydrophobicContact CG2-CG1 4.2Å
240	I	98.9	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.7	-177.8	-59.1	161.2	0	0	0	107.9	L223 P226 V229 D242 L249 V251 I556 I571	L223-I240 HydrophobicContact CD2-CG2 4.28Å; P226-I240 HydrophobicContact CB-CG2 4.05Å; V229-I240 HydrophobicContact CG2-CG1 3.96Å; I240-D242 PolarHBondContact O-N 3.49Å; I240-L249 HydrophobicContact CB-CB 4.32Å; I240-L249 PolarHBondContact N-O 3.37Å; I240-L249 PolarHBondContact O-N 3.41Å; I240-V251 HydrophobicContact CD1-CG1 4.23Å; I240-V251 HydrophobicContact CD1-CG2 3.76Å; I240-I556 HydrophobicContact CD1-CD1 4.3Å; I240-I556 HydrophobicContact CD1-CG1 3.74Å; I240-I556 HydrophobicContact CG1-CD1 4.2Å; I240-I556 HydrophobicContact CG1-CG1 4.14Å; I240-I556 HydrophobicContact CG2-CD1 4.01Å; I240-I571 HydrophobicContact CD1-CD1 4.03Å
241	A	98.8	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	100.5	166	0	0	0	0	0	108.5	P226 G227 K228 T243 I248 Q282 V284	P226-A241 CarbonylContact C-O 3.55Å; P226-A241 VanDerWaalsContact CA-O 3.27Å; P226-A241 WeakPolarHBondContact CA-O 3.31Å; G227-A241 PolarHBondContact N-O 2.8Å; G227-A241 VanDerWaalsContact N-O 3.1Å; K228-A241 HydrophobicContact CB-CB 4.27Å; K228-A241 PolarHBondContact O-N 2.72Å; A241-T243 VanDerWaalsContact C-N 3.26Å; A241-T243 PolarHBondContact O-N 3.11Å; A241-T243 VanDerWaalsContact O-N 3.09Å; A241-T243 PolarHBondContact O-OG1 3.04Å; A241-I248 HydrophobicContact CB-CD1 4.1Å; A241-Q282 WeakPolarHBondContact CB-O 3.47Å; A241-V284 HydrophobicContact CB-CG1 4.12Å
242	D	98.6	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	73.7	178.2	-173	15.9	0	0	0	108.4	L223 L224 I240 G244 H245 H246 R247 L249	L223-D242 WeakPolarHBondContact CA-OD1 3.47Å; L223-D242 HydrophobicContact CD2-CB 4.25Å; L224-D242 PolarHBondContact N-OD1 2.81Å; I240-D242 PolarHBondContact O-N 3.49Å; D242-G244 PolarHBondContact O-N 2.76Å; D242-H245 CarbonylContact O-C 3.59Å; D242-H245 PolarHBondContact O-N 3.27Å; D242-H245 VanDerWaalsContact O-N 3.11Å; D242-H245 IonicContact OD1-CG 2.8Å; D242-H245 IonicContact OD1-ND1 3.43Å; D242-H245 PolarHBondContact OD1-ND1 2.88Å; D242-H245 WeakPolarHBondContact OD2-CB 3.34Å; D242-H245 IonicContact OD2-CE1 3.77Å; D242-H245 IonicContact OD2-CG 3.88Å; D242-H245 IonicContact OD2-ND1 3.47Å; D242-H245 PolarHBondContact OD2-ND1 2.84Å; D242-H246 PolarHBondContact O-N 3.37Å; D242-R247 HydrophobicContact CB-CG 3.85Å; D242-R247 PolarHBondContact N-O 3.4Å; D242-R247 PolarHBondContact O-N 2.84Å; D242-R247 IonicContact OD2-CZ 3.19Å; D242-R247 VanDerWaalsContact OD2-CZ 3.24Å; D242-R247 IonicContact OD2-NE 3.63Å; D242-R247 PolarHBondContact OD2-NE 3.07Å; D242-R247 IonicContact OD2-NH2 2.79Å; D242-R247 PolarHBondContact OD2-NH2 2.83Å; D242-L249 HydrophobicContact CB-CD1 4.41Å; D242-L249 HydrophobicContact CB-CG 4.44Å
243	T	98.6	Very high	96.6	Very high	12 Å²	12	29.1 Å²	29.1	7%	0.074	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.7	-46.4	-162.3	-51.9	0	0	0	0	112.8	F225 G227 A241 H245 H246 P281	F225-T243 VanDerWaalsContact O-CB 3.27Å; F225-T243 WeakPolarHBondContact O-CB 3.42Å; F225-T243 PolarHBondContact O-OG1 3.35Å; G227-T243 WeakPolarHBondContact CA-OG1 3.45Å; G227-T243 PolarHBondContact N-OG1 2.96Å; G227-T243 VanDerWaalsContact N-OG1 3.08Å; A241-T243 VanDerWaalsContact C-N 3.26Å; A241-T243 PolarHBondContact O-N 3.11Å; A241-T243 VanDerWaalsContact O-N 3.09Å; A241-T243 PolarHBondContact O-OG1 3.04Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.9Å; T243-H246 WeakPolarHBondContact O-CA 3.34Å; T243-H246 PolarHBondContact O-N 2.86Å; T243-H246 PolarHBondContact O-ND1 2.91Å; T243-P281 WeakPolarHBondContact CB-O 3.39Å; T243-P281 WeakPolarHBondContact CG2-O 3.31Å; T243-P281 PolarHBondContact OG1-O 3.18Å
244	G	95.9	Very high	96.6	Very high	18 Å²	18	29.5 Å²	29.5	19%	0.186	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-72.3	-19.2	-178.5	0	0	0	0	0	114.2	L224 D242	L224-G244 WeakPolarHBondContact O-CA 3.38Å; L224-G244 PolarHBondContact O-N 2.75Å; D242-G244 PolarHBondContact O-N 2.76Å
245	H	96.6	Very high	96.7	Very high	33 Å²	33	23.9 Å²	23.9	15%	0.153	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-93.3	4.9	167.6	-69.3	137.7	0	0	0	113.1	S221 L224 D242 T243 R247 G263	S221-H245 PolarHBondContact O-CE1 2.93Å; S221-H245 VanDerWaalsContact O-CE1 3.24Å; L224-H245 WeakPolarHBondContact CB-CE1 3.48Å; D242-H245 CarbonylContact O-C 3.59Å; D242-H245 PolarHBondContact O-N 3.27Å; D242-H245 VanDerWaalsContact O-N 3.11Å; D242-H245 IonicContact OD1-CG 2.8Å; D242-H245 IonicContact OD1-ND1 3.43Å; D242-H245 PolarHBondContact OD1-ND1 2.88Å; D242-H245 WeakPolarHBondContact OD2-CB 3.34Å; D242-H245 IonicContact OD2-CE1 3.77Å; D242-H245 IonicContact OD2-CG 3.88Å; D242-H245 IonicContact OD2-ND1 3.47Å; D242-H245 PolarHBondContact OD2-ND1 2.84Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.9Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 HydrophobicContact CB-CG 3.91Å; H245-R247 PolarHBondContact O-N 3.27Å; H245-G263 WeakPolarHBondContact O-CA 3.36Å
246	H	98.2	Very high	96.7	Very high	31 Å²	31	23.6 Å²	23.6	14%	0.144	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.8	179	-50	-55.5	0	0	0	113.4	D242 T243 G263 P264 P266 S280	D242-H246 PolarHBondContact O-N 3.37Å; T243-H246 WeakPolarHBondContact O-CA 3.34Å; T243-H246 PolarHBondContact O-N 2.86Å; T243-H246 PolarHBondContact O-ND1 2.91Å; H246-G263 PolarHBondContact O-N 3.14Å; H246-P264 PolarHBondContact CD2-O 3.36Å; H246-P266 VanDerWaalsContact CD2-CD 3.5Å; H246-P266 WeakPolarHBondContact CD2-CD 3.34Å; H246-S280 PolarHBondContact CE1-OG 3.41Å; H246-S280 VanDerWaalsContact CE1-OG 3.3Å; H246-S280 PolarHBondContact ND1-N 3.3Å; H246-S280 VanDerWaalsContact ND1-N 3.14Å; H246-S280 PolarHBondContact ND1-OG 2.97Å
247	R	98.5	Very high	96.8	Very high	9 Å²	9	21.7 Å²	21.7	3%	0.034	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.4	-174.3	74.9	-179.4	179.8	178.6	-8.3	113.3	P222 D242 H245 S260 I261 G262 F583	P222-R247 PolarHBondContact O-NH2 2.81Å; D242-R247 HydrophobicContact CB-CG 3.85Å; D242-R247 PolarHBondContact N-O 3.4Å; D242-R247 PolarHBondContact O-N 2.84Å; D242-R247 IonicContact OD2-CZ 3.19Å; D242-R247 VanDerWaalsContact OD2-CZ 3.24Å; D242-R247 IonicContact OD2-NE 3.63Å; D242-R247 PolarHBondContact OD2-NE 3.07Å; D242-R247 IonicContact OD2-NH2 2.79Å; D242-R247 PolarHBondContact OD2-NH2 2.83Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 HydrophobicContact CB-CG 3.91Å; H245-R247 PolarHBondContact O-N 3.27Å; R247-S260 PolarHBondContact NH1-OG 2.88Å; R247-I261 CarbonylContact C-O 3.48Å; R247-I261 WeakPolarHBondContact CA-O 3.39Å; R247-I261 WeakPolarHBondContact CB-O 2.94Å; R247-G262 VanDerWaalsContact CB-C 3.41Å; R247-G262 VanDerWaalsContact CB-O 3.28Å; R247-G262 WeakPolarHBondContact CB-O 3.35Å; R247-F583 VanDerWaalsContact NH1-CZ 3.33Å
248	I	98.8	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.4	173.2	-55	-57.7	0	0	0	109.6	V239 A241 I261 F278 P281 V284 V293 I304	V239-I248 HydrophobicContact CG1-CG2 3.58Å; A241-I248 HydrophobicContact CB-CD1 4.1Å; I248-I261 PolarHBondContact N-O 3.34Å; I248-I261 PolarHBondContact O-N 2.91Å; I248-F278 HydrophobicContact CG1-CD2 4.36Å; I248-F278 HydrophobicContact CG1-CE1 4.4Å; I248-F278 HydrophobicContact CG1-CE2 4.05Å; I248-F278 HydrophobicContact CG1-CZ 4.08Å; I248-P281 HydrophobicContact CD1-CB 3.84Å; I248-P281 HydrophobicContact CD1-CG 3.81Å; I248-V284 HydrophobicContact CD1-CG1 3.9Å; I248-V293 HydrophobicContact CD1-CG1 3.83Å; I248-V293 HydrophobicContact CD1-CG2 4.18Å; I248-V293 HydrophobicContact CG1-CG1 4.31Å; I248-V293 HydrophobicContact CG1-CG2 4.01Å; I248-I304 HydrophobicContact CB-CD1 4.03Å; I248-I304 HydrophobicContact CG1-CD1 4.03Å; I248-I304 HydrophobicContact CG2-CD1 4.04Å
249	L	98.6	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.7	172.8	-59.5	178.6	0	0	0	110.2	L223 V239 I240 D242 V251 Y259 S260	L223-L249 HydrophobicContact CD2-CD1 3.52Å; V239-L249 CarbonylContact C-O 3.52Å; V239-L249 WeakPolarHBondContact CA-O 3.46Å; I240-L249 HydrophobicContact CB-CB 4.32Å; I240-L249 PolarHBondContact N-O 3.37Å; I240-L249 PolarHBondContact O-N 3.41Å; D242-L249 HydrophobicContact CB-CD1 4.41Å; D242-L249 HydrophobicContact CB-CG 4.44Å; L249-V251 HydrophobicContact CB-CG1 3.99Å; L249-Y259 WeakPolarHBondContact CA-O 3.34Å; L249-S260 VanDerWaalsContact CD2-OG 3.27Å; L249-S260 WeakPolarHBondContact CD2-OG 3.19Å
250	V	98.4	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.6	165.8	-175.2	0	0	0	0	107	L238 V239 Q258 Y259 I291 L306	L238-V250 WeakPolarHBondContact O-CA 3.43Å; V239-V250 HydrophobicContact CG2-CG2 4.45Å; V250-Q258 HydrophobicContact CG1-CB 4.48Å; V250-Q258 WeakPolarHBondContact O-CA 3.46Å; V250-Q258 WeakPolarHBondContact O-CB 3.49Å; V250-Q258 PolarHBondContact O-N 2.86Å; V250-Y259 HydrophobicContact CB-CD2 4.06Å; V250-Y259 HydrophobicContact CG1-CD2 4.36Å; V250-Y259 HydrophobicContact CG2-CD2 4.32Å; V250-Y259 PolarHBondContact N-O 2.87Å; V250-Y259 PolarHBondContact O-N 2.85Å; V250-Y259 VanDerWaalsContact O-N 3.15Å; V250-I291 HydrophobicContact CG2-CD1 3.63Å; V250-L306 HydrophobicContact CG2-CD2 4.1Å
251	V	97.3	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.6	-174	-48.3	0	0	0	0	111.1	R237 L238 I240 L249 Q256 I257 L569 I571	R237-V251 CarbonylContact C-O 3.58Å; R237-V251 WeakPolarHBondContact CA-O 3.48Å; L238-V251 HydrophobicContact CB-CG2 3.6Å; L238-V251 HydrophobicContact CD1-CG2 3.94Å; L238-V251 HydrophobicContact CG-CG2 4.42Å; L238-V251 PolarHBondContact N-O 3.03Å; L238-V251 PolarHBondContact O-N 3.44Å; I240-V251 HydrophobicContact CD1-CG1 4.23Å; I240-V251 HydrophobicContact CD1-CG2 3.76Å; L249-V251 HydrophobicContact CB-CG1 3.99Å; V251-Q256 CarbonylContact C-O 3.44Å; V251-Q256 WeakPolarHBondContact CA-O 3.42Å; V251-I257 HydrophobicContact CG1-CB 4.47Å; V251-I257 HydrophobicContact CG1-CG1 3.94Å; V251-L569 HydrophobicContact CG2-CD2 4.45Å; V251-I571 HydrophobicContact CG1-CD1 4.39Å; V251-I571 HydrophobicContact CG2-CD1 4.33Å
252	W	95.2	Very high	96.3	Very high	92 Å²	92	25.1 Å²	25.1	35%	0.348	12%	0.123	S	C	.	.			trans	-70.7	161.2	171.8	-66.2	106.2	0	0	0	110.7	R237 N254 G255 Q256 Q258	R237-W252 HydrophobicContact CG-CD2 4.14Å; R237-W252 HydrophobicContact CG-CE3 3.49Å; R237-W252 VanDerWaalsContact CG-CE3 3.49Å; R237-W252 HydrophobicContact CG-CH2 4.27Å; R237-W252 HydrophobicContact CG-CZ3 3.57Å; W252-N254 VanDerWaalsContact CB-OD1 3.25Å; W252-N254 WeakPolarHBondContact CB-OD1 3.49Å; W252-N254 PolarHBondContact O-N 3.19Å; W252-N254 VanDerWaalsContact O-N 3.08Å; W252-G255 PolarHBondContact O-N 3.28Å; W252-Q256 HydrophobicContact CB-CB 4.41Å; W252-Q256 PolarHBondContact N-O 2.88Å; W252-Q258 HydrophobicContact CZ2-CG 4.41Å
253	K	92.9	Very high	96	Very high	105 Å²	105	26 Å²	26	46%	0.457	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	179.3	-176.8	179.2	176.5	-176.9	0	113.8	G255	K253-G255 PolarHBondContact O-N 3.44Å
254	N	91	Very high	95.6	Very high	85 Å²	85	28.2 Å²	28.2	46%	0.455	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.1	177.7	68.3	-12.8	0	0	0	113.6	W252 Q256 F572	W252-N254 VanDerWaalsContact CB-OD1 3.25Å; W252-N254 WeakPolarHBondContact CB-OD1 3.49Å; W252-N254 PolarHBondContact O-N 3.19Å; W252-N254 VanDerWaalsContact O-N 3.08Å; N254-Q256 VanDerWaalsContact OD1-CB 3.27Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.43Å; N254-Q256 PolarHBondContact OD1-N 3.06Å; N254-F572 WeakPolarHBondContact O-CE1 3.49Å
255	G	92.4	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	98.1	-3.5	-178	0	0	0	0	0	116.1	W252 K253 I257 P570 F572	W252-G255 PolarHBondContact O-N 3.28Å; K253-G255 PolarHBondContact O-N 3.44Å; G255-I257 PolarHBondContact O-N 3Å; G255-P570 WeakPolarHBondContact CA-O 3.26Å; G255-F572 PolarHBondContact O-N 3.21Å
256	Q	94.4	Very high	95.4	Very high	49 Å²	49	34.6 Å²	34.6	23%	0.229	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-72.5	125.7	179.6	-178.1	-178.5	-10.1	0	0	110.7	V251 W252 N254 Q258 F572 S574	V251-Q256 CarbonylContact C-O 3.44Å; V251-Q256 WeakPolarHBondContact CA-O 3.42Å; W252-Q256 HydrophobicContact CB-CB 4.41Å; W252-Q256 PolarHBondContact N-O 2.88Å; N254-Q256 VanDerWaalsContact OD1-CB 3.27Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.43Å; N254-Q256 PolarHBondContact OD1-N 3.06Å; Q256-Q258 PolarHBondContact O-N 2.78Å; Q256-F572 HydrophobicContact CB-CE2 3.94Å; Q256-F572 HydrophobicContact CB-CZ 3.94Å; Q256-F572 HydrophobicContact CG-CE2 4.24Å; Q256-S574 PolarHBondContact NE2-OG 2.92Å
257	I	95.5	Very high	95.4	Very high	10 Å²	10	34 Å²	34	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.6	176	-61.4	167.7	0	0	0	109.9	V251 G255 I571 F572 R573	V251-I257 HydrophobicContact CG1-CB 4.47Å; V251-I257 HydrophobicContact CG1-CG1 3.94Å; G255-I257 PolarHBondContact O-N 3Å; I257-I571 HydrophobicContact CD1-CG2 3.8Å; I257-I571 HydrophobicContact CG1-CG2 3.99Å; I257-F572 PolarHBondContact N-O 2.84Å; I257-R573 HydrophobicContact CD1-CG 3.96Å
258	Q	95.3	Very high	95.3	Very high	39 Å²	39	40.5 Å²	40.5	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-51.3	169.5	-170.6	-176.5	2.5	0	0	110.6	V250 W252 Q256	V250-Q258 HydrophobicContact CG1-CB 4.48Å; V250-Q258 WeakPolarHBondContact O-CA 3.46Å; V250-Q258 WeakPolarHBondContact O-CB 3.49Å; V250-Q258 PolarHBondContact O-N 2.86Å; W252-Q258 HydrophobicContact CZ2-CG 4.41Å; Q256-Q258 PolarHBondContact O-N 2.78Å
259	Y	95.9	Very high	95.3	Very high	28 Å²	28	45.5 Å²	45.5	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.5	179.9	-60.2	-73.3	0	0	0	111.1	L249 V250 F273 L306 E309 V578	L249-Y259 WeakPolarHBondContact CA-O 3.34Å; V250-Y259 HydrophobicContact CB-CD2 4.06Å; V250-Y259 HydrophobicContact CG1-CD2 4.36Å; V250-Y259 HydrophobicContact CG2-CD2 4.32Å; V250-Y259 PolarHBondContact N-O 2.87Å; V250-Y259 PolarHBondContact O-N 2.85Å; V250-Y259 VanDerWaalsContact O-N 3.15Å; Y259-F273 AromaticContact CD1-CD2 3.92Å; Y259-F273 HydrophobicContact CD1-CD2 3.92Å; Y259-F273 AromaticContact CD1-CE2 3.6Å; Y259-F273 HydrophobicContact CD1-CE2 3.6Å; Y259-F273 HydrophobicContact CE1-CD2 4.4Å; Y259-F273 AromaticContact CE1-CE2 3.87Å; Y259-F273 HydrophobicContact CE1-CE2 3.87Å; Y259-F273 HydrophobicContact CG-CE2 4.03Å; Y259-L306 HydrophobicContact CD2-CD2 4.05Å; Y259-L306 HydrophobicContact CE2-CD2 4.27Å; Y259-E309 PolarHBondContact OH-OE1 3.21Å; Y259-V578 HydrophobicContact CD1-CB 4.32Å; Y259-V578 HydrophobicContact CE1-CB 4.34Å
260	S	96.8	Very high	95.3	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.1	167.5	-171.4	0	0	0	0	108.1	R247 L249	R247-S260 PolarHBondContact NH1-OG 2.88Å; L249-S260 VanDerWaalsContact CD2-OG 3.27Å; L249-S260 WeakPolarHBondContact CD2-OG 3.19Å
261	I	98.1	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.2	-167.3	-47.8	172.9	0	0	0	108.3	R247 I248 F273 F278 I304 L306 V311	R247-I261 CarbonylContact C-O 3.48Å; R247-I261 WeakPolarHBondContact CA-O 3.39Å; R247-I261 WeakPolarHBondContact CB-O 2.94Å; I248-I261 PolarHBondContact N-O 3.34Å; I248-I261 PolarHBondContact O-N 2.91Å; I261-F273 HydrophobicContact CD1-CD1 3.93Å; I261-F273 HydrophobicContact CD1-CD2 4Å; I261-F273 HydrophobicContact CD1-CE1 3.74Å; I261-F273 HydrophobicContact CD1-CE2 3.8Å; I261-F273 HydrophobicContact CD1-CG 4.05Å; I261-F273 HydrophobicContact CD1-CZ 3.66Å; I261-F273 HydrophobicContact CG1-CB 4.3Å; I261-F273 HydrophobicContact CG1-CD1 4.15Å; I261-F273 HydrophobicContact CG1-CD2 3.96Å; I261-F273 HydrophobicContact CG1-CE1 4.45Å; I261-F273 HydrophobicContact CG1-CE2 4.27Å; I261-F273 HydrophobicContact CG1-CG 3.88Å; I261-F273 HydrophobicContact CG1-CZ 4.49Å; I261-F273 HydrophobicContact CG2-CB 4.11Å; I261-F273 HydrophobicContact CG2-CD1 3.82Å; I261-F273 HydrophobicContact CG2-CE1 4.49Å; I261-F273 HydrophobicContact CG2-CG 4.06Å; I261-F278 HydrophobicContact CB-CE2 4.46Å; I261-F278 HydrophobicContact CG2-CE2 4.01Å; I261-F278 HydrophobicContact CG2-CZ 4.37Å; I261-F278 VanDerWaalsContact O-CE2 3.29Å; I261-F278 WeakPolarHBondContact O-CE2 3.48Å; I261-I304 HydrophobicContact CD1-CD1 4.08Å; I261-I304 HydrophobicContact CD1-CG2 3.59Å; I261-L306 HydrophobicContact CD1-CD2 4.44Å; I261-V311 HydrophobicContact CG2-CG2 3.8Å
262	G	96.4	Very high	95.1	Very high	10 Å²	10	52 Å²	52	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.7	178.8	-177.4	0	0	0	0	0	115.9	R247 S276	R247-G262 VanDerWaalsContact CB-C 3.41Å; R247-G262 VanDerWaalsContact CB-O 3.28Å; R247-G262 WeakPolarHBondContact CB-O 3.35Å; G262-S276 VanDerWaalsContact CA-O 3.25Å; G262-S276 WeakPolarHBondContact CA-O 3.29Å
263	G	91.1	Very high	95.2	Very high	17 Å²	17	48.2 Å²	48.2	18%	0.175	25%	0.251	C	S	.	.			trans	78.9	176.6	-178.6	0	0	0	0	0	115	H245 H246 N265	H245-G263 WeakPolarHBondContact O-CA 3.36Å; H246-G263 PolarHBondContact O-N 3.14Å; G263-N265 VanDerWaalsContact C-N 3.34Å
264	P	91.2	Very high	95.1	Very high	60 Å²	60	45.5 Å²	45.5	39%	0.39	25%	0.246	S	C	.	.	S	Bend	cis	-79.5	-12	-3	33.3	-35.9	0	0	0	113.7	H246	H246-P264 PolarHBondContact CD2-O 3.36Å
265	N	92.1	Very high	95.2	Very high	114 Å²	114	45.6 Å²	45.6	61%	0.61	24%	0.243	S	C	*	.	S	Bend	trans	-97.3	153	-175.8	-64.1	-38.5	0	0	0	111.5	G263	G263-N265 VanDerWaalsContact C-N 3.34Å
266	P	95.8	Very high	95.4	Very high	71 Å²	71	45.7 Å²	45.7	46%	0.461	24%	0.244	S	C	.	.			trans	-66.8	149.1	175	29.2	-34.7	0	0	0	111.2	H246 F278 N279	H246-P266 VanDerWaalsContact CD2-CD 3.5Å; H246-P266 WeakPolarHBondContact CD2-CD 3.34Å; P266-F278 CarbonylContact C-O 3.58Å; P266-F278 VanDerWaalsContact CA-O 3.28Å; P266-F278 WeakPolarHBondContact CA-O 3.06Å; P266-N279 HydrophobicContact CB-CB 4.17Å; P266-N279 VanDerWaalsContact CB-OD1 3.28Å; P266-N279 WeakPolarHBondContact CB-OD1 3.47Å
267	G	96.9	Very high	95.6	Very high	19 Å²	19	44.9 Å²	44.9	20%	0.196	24%	0.243	C	C	.	.			trans	-178.8	177.9	175.4	0	0	0	0	0	112.8	T277 F278 N298	G267-T277 VanDerWaalsContact C-OG1 3.32Å; G267-T277 WeakPolarHBondContact CA-OG1 3.45Å; G267-T277 CarbonylContact O-C 3.59Å; G267-T277 VanDerWaalsContact O-C 3.26Å; G267-F278 PolarHBondContact N-O 3.1Å; G267-F278 CarbonylContact O-C 3.47Å; G267-F278 VanDerWaalsContact O-CA 3.22Å; G267-F278 WeakPolarHBondContact O-CA 3.02Å; G267-F278 PolarHBondContact O-N 2.95Å; G267-N298 PolarHBondContact O-ND2 3.27Å
268	R	98.1	Very high	95.8	Very high	145 Å²	145	44.4 Å²	44.4	55%	0.547	24%	0.24	S	C	.	.			trans	-129.4	21.5	-176.7	61.5	174.8	-83	-171.2	-0.6	113.3	T277 L300	R268-T277 PolarHBondContact N-OG1 2.89Å; R268-L300 HydrophobicContact CB-CD1 4.38Å
269	K	98.3	Very high	95.9	Very high	105 Å²	105	44.4 Å²	44.4	46%	0.457	24%	0.241	S	C	.	.			trans	-77.1	131.6	-175.3	-168.7	173.1	172.7	-160.8	0	109.8	E275 S276 T277 R302	K269-E275 HydrophobicContact CD-CB 4.4Å; K269-E275 WeakPolarHBondContact CD-O 2.99Å; K269-E275 WeakPolarHBondContact CE-OE2 3.47Å; K269-E275 IonicContact NZ-OE2 3.87Å; K269-E275 PolarHBondContact NZ-OE2 3.39Å; K269-S276 VanDerWaalsContact O-CA 3.3Å; K269-S276 WeakPolarHBondContact O-CA 3.41Å; K269-T277 VanDerWaalsContact CB-OG1 3.3Å; K269-T277 WeakPolarHBondContact CB-OG1 3.47Å; K269-T277 PolarHBondContact N-OG1 3.3Å; K269-T277 PolarHBondContact O-N 3.18Å; K269-R302 PolarHBondContact O-NH2 3.13Å
270	D	98.3	Very high	96.1	Very high	56 Å²	56	43.9 Å²	43.9	30%	0.299	24%	0.242	S	C	.	.			trans	-93.3	168.5	169.8	-75.8	-31.3	0	0	0	110.4	R302 V311 S312 T313	D270-R302 IonicContact OD1-CZ 2.78Å; D270-R302 IonicContact OD1-NE 3.71Å; D270-R302 PolarHBondContact OD1-NE 3.37Å; D270-R302 IonicContact OD1-NH2 3.27Å; D270-R302 PolarHBondContact OD1-NH2 3.26Å; D270-V311 WeakPolarHBondContact CB-O 3.5Å; D270-S312 WeakPolarHBondContact OD1-CA 3.48Å; D270-T313 PolarHBondContact OD1-N 3.28Å; D270-T313 PolarHBondContact OD1-OG1 3.19Å; D270-T313 WeakPolarHBondContact OD2-CB 3.14Å; D270-T313 PolarHBondContact OD2-N 2.94Å; D270-T313 PolarHBondContact OD2-OG1 3.28Å
271	G	96.2	Very high	96.1	Very high	8 Å²	8	43.6 Å²	43.6	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.5	-146.5	176	0	0	0	0	0	113.4	R310 V311	G271-R310 CarbonylContact O-C 3.5Å; G271-R310 VanDerWaalsContact O-CA 3.25Å; G271-R310 WeakPolarHBondContact O-CA 3.35Å; G271-V311 PolarHBondContact N-O 3.45Å; G271-V311 PolarHBondContact O-N 3.21Å
272	I	96.3	Very high	96.2	Very high	73 Å²	73	44.9 Å²	44.9	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	162.6	170.1	59.2	173.3	0	0	0	110.2	S274 E275 S276	I272-S274 VanDerWaalsContact C-N 3.28Å; I272-S274 WeakPolarHBondContact CD1-OG 3.5Å; I272-S274 WeakPolarHBondContact CG1-OG 3.39Å; I272-S274 PolarHBondContact O-N 2.91Å; I272-E275 HydrophobicContact CD1-CG 4.26Å; I272-E275 HydrophobicContact CG1-CB 4.19Å; I272-E275 HydrophobicContact CG1-CG 3.85Å; I272-E275 PolarHBondContact O-N 2.9Å; I272-E275 VanDerWaalsContact O-N 3.1Å; I272-S276 PolarHBondContact O-N 3.45Å; I272-S276 VanDerWaalsContact O-N 3.14Å; I272-S276 PolarHBondContact O-OG 2.74Å
273	F	97	Very high	96.3	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.053	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.3	-175.6	-67.2	-10.8	0	0	0	114.1	Y259 I261 E275 S276 I304 L306 E309 V311	Y259-F273 AromaticContact CD1-CD2 3.92Å; Y259-F273 HydrophobicContact CD1-CD2 3.92Å; Y259-F273 AromaticContact CD1-CE2 3.6Å; Y259-F273 HydrophobicContact CD1-CE2 3.6Å; Y259-F273 HydrophobicContact CE1-CD2 4.4Å; Y259-F273 AromaticContact CE1-CE2 3.87Å; Y259-F273 HydrophobicContact CE1-CE2 3.87Å; Y259-F273 HydrophobicContact CG-CE2 4.03Å; I261-F273 HydrophobicContact CD1-CD1 3.93Å; I261-F273 HydrophobicContact CD1-CD2 4Å; I261-F273 HydrophobicContact CD1-CE1 3.74Å; I261-F273 HydrophobicContact CD1-CE2 3.8Å; I261-F273 HydrophobicContact CD1-CG 4.05Å; I261-F273 HydrophobicContact CD1-CZ 3.66Å; I261-F273 HydrophobicContact CG1-CB 4.3Å; I261-F273 HydrophobicContact CG1-CD1 4.15Å; I261-F273 HydrophobicContact CG1-CD2 3.96Å; I261-F273 HydrophobicContact CG1-CE1 4.45Å; I261-F273 HydrophobicContact CG1-CE2 4.27Å; I261-F273 HydrophobicContact CG1-CG 3.88Å; I261-F273 HydrophobicContact CG1-CZ 4.49Å; I261-F273 HydrophobicContact CG2-CB 4.11Å; I261-F273 HydrophobicContact CG2-CD1 3.82Å; I261-F273 HydrophobicContact CG2-CE1 4.49Å; I261-F273 HydrophobicContact CG2-CG 4.06Å; F273-E275 VanDerWaalsContact C-N 3.26Å; F273-E275 PolarHBondContact O-N 3.03Å; F273-S276 PolarHBondContact O-N 2.81Å; F273-I304 HydrophobicContact CE1-CG2 3.54Å; F273-I304 HydrophobicContact CZ-CG2 3.87Å; F273-L306 HydrophobicContact CZ-CD2 4.03Å; F273-E309 HydrophobicContact CD2-CB 4.26Å; F273-E309 HydrophobicContact CE1-CB 4.32Å; F273-E309 HydrophobicContact CE2-CB 3.93Å; F273-E309 HydrophobicContact CE2-CG 3.95Å; F273-E309 VanDerWaalsContact CZ-CA 3.47Å; F273-E309 HydrophobicContact CZ-CB 3.98Å; F273-E309 HydrophobicContact CZ-CG 4.24Å; F273-V311 HydrophobicContact CD1-CG2 4.17Å; F273-V311 HydrophobicContact CE1-CG2 4.41Å
274	S	90.2	Very high	96.7	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.7	179.8	66.1	0	0	0	0	115.1	I272	I272-S274 VanDerWaalsContact C-N 3.28Å; I272-S274 WeakPolarHBondContact CD1-OG 3.5Å; I272-S274 WeakPolarHBondContact CG1-OG 3.39Å; I272-S274 PolarHBondContact O-N 2.91Å
275	E	93.3	Very high	97	Very high	86 Å²	86	41.1 Å²	41.1	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.9	-177.9	-66.5	-171.5	-163.5	0	0	113.1	K269 I272 F273	K269-E275 HydrophobicContact CD-CB 4.4Å; K269-E275 WeakPolarHBondContact CD-O 2.99Å; K269-E275 WeakPolarHBondContact CE-OE2 3.47Å; K269-E275 IonicContact NZ-OE2 3.87Å; K269-E275 PolarHBondContact NZ-OE2 3.39Å; I272-E275 HydrophobicContact CD1-CG 4.26Å; I272-E275 HydrophobicContact CG1-CB 4.19Å; I272-E275 HydrophobicContact CG1-CG 3.85Å; I272-E275 PolarHBondContact O-N 2.9Å; I272-E275 VanDerWaalsContact O-N 3.1Å; F273-E275 VanDerWaalsContact C-N 3.26Å; F273-E275 PolarHBondContact O-N 3.03Å
276	S	97.4	Very high	97.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	19%	0.192	C	C	.	.			trans	-72	139.8	-172.3	-61.5	0	0	0	0	110.1	G262 K269 I272 F273 V311	G262-S276 VanDerWaalsContact CA-O 3.25Å; G262-S276 WeakPolarHBondContact CA-O 3.29Å; K269-S276 VanDerWaalsContact O-CA 3.3Å; K269-S276 WeakPolarHBondContact O-CA 3.41Å; I272-S276 PolarHBondContact O-N 3.45Å; I272-S276 VanDerWaalsContact O-N 3.14Å; I272-S276 PolarHBondContact O-OG 2.74Å; F273-S276 PolarHBondContact O-N 2.81Å; S276-V311 VanDerWaalsContact OG-CB 3.31Å; S276-V311 WeakPolarHBondContact OG-CB 3.3Å; S276-V311 WeakPolarHBondContact OG-CG2 3.38Å
277	T	98.5	Very high	97.3	Very high	32 Å²	32	35.3 Å²	35.3	20%	0.196	18%	0.181	C	C	.	.			trans	-134.9	148.9	176.5	44.2	0	0	0	0	110.4	G267 R268 K269 R302	G267-T277 VanDerWaalsContact C-OG1 3.32Å; G267-T277 WeakPolarHBondContact CA-OG1 3.45Å; G267-T277 CarbonylContact O-C 3.59Å; G267-T277 VanDerWaalsContact O-C 3.26Å; R268-T277 PolarHBondContact N-OG1 2.89Å; K269-T277 VanDerWaalsContact CB-OG1 3.3Å; K269-T277 WeakPolarHBondContact CB-OG1 3.47Å; K269-T277 PolarHBondContact N-OG1 3.3Å; K269-T277 PolarHBondContact O-N 3.18Å; T277-R302 PolarHBondContact O-NH1 2.91Å; T277-R302 PolarHBondContact O-NH2 3.15Å
278	F	98.8	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.			trans	-123.2	169.9	177.3	-57.3	-85.3	0	0	0	109.3	I248 I261 P266 G267 P281 V293 R302 I304 V311	I248-F278 HydrophobicContact CG1-CD2 4.36Å; I248-F278 HydrophobicContact CG1-CE1 4.4Å; I248-F278 HydrophobicContact CG1-CE2 4.05Å; I248-F278 HydrophobicContact CG1-CZ 4.08Å; I261-F278 HydrophobicContact CB-CE2 4.46Å; I261-F278 HydrophobicContact CG2-CE2 4.01Å; I261-F278 HydrophobicContact CG2-CZ 4.37Å; I261-F278 VanDerWaalsContact O-CE2 3.29Å; I261-F278 WeakPolarHBondContact O-CE2 3.48Å; P266-F278 CarbonylContact C-O 3.58Å; P266-F278 VanDerWaalsContact CA-O 3.28Å; P266-F278 WeakPolarHBondContact CA-O 3.06Å; G267-F278 PolarHBondContact N-O 3.1Å; G267-F278 CarbonylContact O-C 3.47Å; G267-F278 VanDerWaalsContact O-CA 3.22Å; G267-F278 WeakPolarHBondContact O-CA 3.02Å; G267-F278 PolarHBondContact O-N 2.95Å; F278-P281 HydrophobicContact CB-CB 4.4Å; F278-P281 HydrophobicContact CB-CG 4.04Å; F278-V293 HydrophobicContact CD1-CG1 4.43Å; F278-V293 HydrophobicContact CE1-CG1 4.47Å; F278-V293 HydrophobicContact CE1-CG2 4.49Å; F278-R302 HydrophobicContact CD1-CG 4.1Å; F278-R302 HydrophobicContact CE1-CB 3.96Å; F278-R302 HydrophobicContact CE1-CG 3.99Å; F278-I304 HydrophobicContact CZ-CD1 3.91Å; F278-I304 HydrophobicContact CZ-CG1 4.31Å; F278-V311 HydrophobicContact CE1-CG1 4.2Å; F278-V311 HydrophobicContact CZ-CG1 4.04Å; F278-V311 HydrophobicContact CZ-CG2 4.29Å
279	N	98.4	Very high	97	Very high	38 Å²	38	34.8 Å²	34.8	20%	0.203	18%	0.184	C	C	.	.	S	Bend	trans	-133.9	103.5	173.9	-170.3	11.1	0	0	0	108.9	P266 D295 E297 N298	P266-N279 HydrophobicContact CB-CB 4.17Å; P266-N279 VanDerWaalsContact CB-OD1 3.28Å; P266-N279 WeakPolarHBondContact CB-OD1 3.47Å; N279-D295 PolarHBondContact N-OD1 3.43Å; N279-E297 HydrophobicContact CB-CB 4.14Å; N279-E297 VanDerWaalsContact CG-CB 3.49Å; N279-E297 WeakPolarHBondContact ND2-CB 3.46Å; N279-E297 PolarHBondContact O-N 3.46Å; N279-N298 HydrophobicContact CB-CB 4.32Å; N279-N298 VanDerWaalsContact CB-ND2 3.31Å; N279-N298 WeakPolarHBondContact CB-ND2 3.43Å; N279-N298 WeakPolarHBondContact CB-OD1 3.44Å; N279-N298 PolarHBondContact N-ND2 3.12Å
280	S	98.2	Very high	97	Very high	18 Å²	18	31.2 Å²	31.2	13%	0.126	17%	0.17	C	C	.	.	S	Bend	trans	44	61.4	-177.3	-61.2	0	0	0	0	113.7	H246	H246-S280 PolarHBondContact CE1-OG 3.41Å; H246-S280 VanDerWaalsContact CE1-OG 3.3Å; H246-S280 PolarHBondContact ND1-N 3.3Å; H246-S280 VanDerWaalsContact ND1-N 3.14Å; H246-S280 PolarHBondContact ND1-OG 2.97Å
281	P	98.8	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	145	-179.1	29.5	-35.5	0	0	0	112	T243 I248 F278 V293	T243-P281 WeakPolarHBondContact CB-O 3.39Å; T243-P281 WeakPolarHBondContact CG2-O 3.31Å; T243-P281 PolarHBondContact OG1-O 3.18Å; I248-P281 HydrophobicContact CD1-CB 3.84Å; I248-P281 HydrophobicContact CD1-CG 3.81Å; F278-P281 HydrophobicContact CB-CB 4.4Å; F278-P281 HydrophobicContact CB-CG 4.04Å; P281-V293 HydrophobicContact CB-CG1 3.68Å
282	Q	98.8	Very high	97.1	Very high	27 Å²	27	29.4 Å²	29.4	13%	0.126	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-106.4	176.3	-65.3	-69.6	-18.5	0	0	110.1	K228 A241 V284 A294 T296 W339	K228-Q282 WeakPolarHBondContact CB-O 3.31Å; K228-Q282 VanDerWaalsContact CG-C 3.47Å; K228-Q282 HydrophobicContact CG-CB 4.28Å; A241-Q282 WeakPolarHBondContact CB-O 3.47Å; Q282-V284 PolarHBondContact O-N 3.44Å; Q282-A294 PolarHBondContact N-O 2.75Å; Q282-T296 WeakPolarHBondContact CB-OG1 3.48Å; Q282-T296 HydrophobicContact CG-CG2 4.48Å; Q282-T296 WeakPolarHBondContact CG-OG1 3.44Å; Q282-W339 WeakPolarHBondContact CB-O 3.32Å
283	G	98.7	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-43.4	130.1	-176.2	0	0	0	0	0	114.8	V293 A294 W339 D340	G283-V293 CarbonylContact O-C 3.57Å; G283-V293 WeakPolarHBondContact O-CA 3.41Å; G283-A294 PolarHBondContact O-N 3.37Å; G283-W339 WeakPolarHBondContact CA-O 3.38Å; G283-W339 PolarHBondContact N-O 3.2Å; G283-D340 WeakPolarHBondContact CA-OD1 3.32Å
284	V	98.9	Very high	97.3	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.8	174.3	-79.7	0	0	0	0	109.5	K228 T230 V239 A241 I248 Q282 Y292 V293	K228-V284 HydrophobicContact CB-CG2 4.22Å; T230-V284 VanDerWaalsContact CB-O 3.26Å; T230-V284 WeakPolarHBondContact CB-O 3.35Å; T230-V284 HydrophobicContact CG2-CB 4.14Å; T230-V284 HydrophobicContact CG2-CG2 3.87Å; T230-V284 WeakPolarHBondContact CG2-O 3.45Å; V239-V284 HydrophobicContact CB-CB 4.47Å; V239-V284 HydrophobicContact CB-CG2 4.47Å; V239-V284 HydrophobicContact CG1-CB 3.88Å; V239-V284 HydrophobicContact CG1-CG1 3.89Å; V239-V284 HydrophobicContact CG1-CG2 4.2Å; A241-V284 HydrophobicContact CB-CG1 4.12Å; I248-V284 HydrophobicContact CD1-CG1 3.9Å; Q282-V284 PolarHBondContact O-N 3.44Å; V284-Y292 WeakPolarHBondContact CA-O 3.48Å; V284-V293 HydrophobicContact CG1-CG1 4.45Å; V284-V293 HydrophobicContact CG1-CG2 4.21Å
285	A	98.8	Very high	97.8	Very high	4 Å²	4	23 Å²	23	3%	0.033	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.3	173.9	0	0	0	0	0	109.7	I291 Y292 V341 F343	A285-I291 CarbonylContact O-C 3.19Å; A285-I291 WeakPolarHBondContact O-CA 3.4Å; A285-Y292 PolarHBondContact N-O 2.86Å; A285-Y292 PolarHBondContact O-N 2.97Å; A285-V341 HydrophobicContact CB-CG2 3.95Å; A285-V341 WeakPolarHBondContact CB-O 3.47Å; A285-F343 HydrophobicContact CB-CD2 3.83Å; A285-F343 HydrophobicContact CB-CE2 3.86Å
286	I	97.9	Very high	98	Very high	16 Å²	16	19 Å²	19	8%	0.082	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.9	179.8	-175.2	168.1	0	0	0	111.4	T230 D232 V239 I290 I291 L306	T230-I286 HydrophobicContact CG2-CG2 4.01Å; D232-I286 HydrophobicContact CB-CD1 4.14Å; D232-I286 HydrophobicContact CB-CG1 4.49Å; D232-I286 HydrophobicContact CB-CG2 3.84Å; V239-I286 HydrophobicContact CG2-CB 4.07Å; V239-I286 HydrophobicContact CG2-CD1 3.85Å; V239-I286 HydrophobicContact CG2-CG2 4.1Å; I286-I290 WeakPolarHBondContact CA-O 3.33Å; I286-I291 HydrophobicContact CB-CG1 4.1Å; I286-I291 HydrophobicContact CD1-CD1 4.28Å; I286-I291 HydrophobicContact CD1-CG1 3.85Å; I286-I291 HydrophobicContact CG1-CG1 3.91Å; I286-L306 HydrophobicContact CD1-CD1 4.11Å
287	M	95.4	Very high	98	Very high	46 Å²	46	21 Å²	21	23%	0.227	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	136	170.6	-169.9	-175.6	65.6	0	0	109	N289 I290 F343	M287-N289 VanDerWaalsContact C-N 3.34Å; M287-N289 PolarHBondContact O-N 3.48Å; M287-I290 PolarHBondContact N-O 2.9Å; M287-I290 PolarHBondContact O-N 2.83Å; M287-F343 HydrophobicContact CB-CD1 4.39Å; M287-F343 HydrophobicContact CB-CD2 3.73Å; M287-F343 HydrophobicContact CB-CE1 4.14Å; M287-F343 HydrophobicContact CB-CE2 3.48Å; M287-F343 VanDerWaalsContact CB-CE2 3.48Å; M287-F343 HydrophobicContact CB-CG 4.18Å; M287-F343 HydrophobicContact CB-CZ 3.67Å; M287-F343 HydrophobicContact CE-CD1 3.8Å; M287-F343 HydrophobicContact CE-CE1 3.83Å; M287-F343 HydrophobicContact CE-CG 4.37Å; M287-F343 HydrophobicContact CE-CZ 4.44Å; M287-F343 HydrophobicContact SD-CD1 4.38Å; M287-F343 HydrophobicContact SD-CG 4.38Å
288	N	93.3	Very high	98	Very high	108 Å²	108	20 Å²	20	58%	0.578	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	48.7	177.2	-57.7	-25.6	0	0	0	113.3	I290	N288-I290 PolarHBondContact O-N 2.85Å
289	N	95.3	Very high	98	Very high	46 Å²	46	20.9 Å²	20.9	25%	0.246	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	9.5	-177	-68.3	-41.3	0	0	0	116	R237 M287 L306 E307	R237-N289 PolarHBondContact NH2-OD1 3.06Å; M287-N289 VanDerWaalsContact C-N 3.34Å; M287-N289 PolarHBondContact O-N 3.48Å; N289-L306 HydrophobicContact CB-CB 4.19Å; N289-L306 VanDerWaalsContact O-CB 3.31Å; N289-L306 WeakPolarHBondContact O-CB 3.48Å; N289-L306 VanDerWaalsContact O-CG 3.31Å; N289-L306 WeakPolarHBondContact O-CG 3.21Å; N289-L306 PolarHBondContact O-N 2.89Å; N289-E307 HydrophobicContact CB-CG 3.9Å; N289-E307 PolarHBondContact ND2-OE1 2.9Å
290	I	98.2	Very high	98.1	Very high	30 Å²	30	19.2 Å²	19.2	15%	0.154	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.5	172.5	-56.3	-51.7	0	0	0	109.1	I286 M287 N288 Y292 K303 I304 D305	I286-I290 WeakPolarHBondContact CA-O 3.33Å; M287-I290 PolarHBondContact N-O 2.9Å; M287-I290 PolarHBondContact O-N 2.83Å; N288-I290 PolarHBondContact O-N 2.85Å; I290-Y292 HydrophobicContact CG2-CD2 4.22Å; I290-Y292 HydrophobicContact CG2-CE2 3.69Å; I290-K303 HydrophobicContact CG2-CD 4.2Å; I290-K303 HydrophobicContact CG2-CG 3.76Å; I290-I304 WeakPolarHBondContact CA-O 3.4Å; I290-D305 HydrophobicContact CD1-CB 3.99Å; I290-D305 VanDerWaalsContact CD1-OD2 3.27Å; I290-D305 WeakPolarHBondContact CD1-OD2 3.41Å
291	I	98.8	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.5	172.3	-50.8	170.2	0	0	0	108.6	V239 V250 A285 I286 V293 K303 I304 L306	V239-I291 HydrophobicContact CG1-CD1 4.02Å; V239-I291 HydrophobicContact CG1-CG2 4Å; V239-I291 HydrophobicContact CG2-CD1 3.74Å; V239-I291 HydrophobicContact CG2-CG1 4.2Å; V250-I291 HydrophobicContact CG2-CD1 3.63Å; A285-I291 CarbonylContact O-C 3.19Å; A285-I291 WeakPolarHBondContact O-CA 3.4Å; I286-I291 HydrophobicContact CB-CG1 4.1Å; I286-I291 HydrophobicContact CD1-CD1 4.28Å; I286-I291 HydrophobicContact CD1-CG1 3.85Å; I286-I291 HydrophobicContact CG1-CG1 3.91Å; I291-V293 HydrophobicContact CG2-CG2 4.07Å; I291-K303 CarbonylContact O-C 3.54Å; I291-K303 WeakPolarHBondContact O-CA 3.32Å; I291-I304 HydrophobicContact CB-CB 4.07Å; I291-I304 HydrophobicContact CB-CG1 4.48Å; I291-I304 PolarHBondContact N-O 3.23Å; I291-I304 PolarHBondContact O-N 3.32Å; I291-L306 HydrophobicContact CD1-CD1 4.07Å; I291-L306 HydrophobicContact CD1-CD2 3.96Å; I291-L306 HydrophobicContact CD1-CG 4.19Å; I291-L306 HydrophobicContact CG1-CD1 4.35Å; I291-L306 HydrophobicContact CG1-CG 4.46Å
292	Y	98.9	Very high	98.1	Very high	25 Å²	25	18.3 Å²	18.3	10%	0.098	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.1	162.8	-71.3	-79.6	0	0	0	110.2	V284 A285 I290 I301 R302 K303 V314 F343 L356 L371	V284-Y292 WeakPolarHBondContact CA-O 3.48Å; A285-Y292 PolarHBondContact N-O 2.86Å; A285-Y292 PolarHBondContact O-N 2.97Å; I290-Y292 HydrophobicContact CG2-CD2 4.22Å; I290-Y292 HydrophobicContact CG2-CE2 3.69Å; Y292-I301 HydrophobicContact CD1-CG2 4.15Å; Y292-R302 CarbonylContact C-O 3.51Å; Y292-R302 WeakPolarHBondContact CA-O 3.48Å; Y292-K303 HydrophobicContact CD1-CB 4.11Å; Y292-K303 HydrophobicContact CD1-CG 4.44Å; Y292-K303 HydrophobicContact CE1-CB 3.79Å; Y292-K303 HydrophobicContact CE1-CD 4.47Å; Y292-K303 HydrophobicContact CE1-CG 3.89Å; Y292-V314 HydrophobicContact CD1-CG2 4.01Å; Y292-V314 HydrophobicContact CE1-CG1 4.36Å; Y292-V314 HydrophobicContact CE1-CG2 3.85Å; Y292-F343 AromaticContact CD2-CE1 3.75Å; Y292-F343 HydrophobicContact CD2-CE1 3.75Å; Y292-F343 HydrophobicContact CD2-CE2 4.27Å; Y292-F343 AromaticContact CD2-CZ 3.44Å; Y292-F343 HydrophobicContact CD2-CZ 3.44Å; Y292-F343 VanDerWaalsContact CD2-CZ 3.44Å; Y292-F343 AromaticContact CE2-CE1 3.69Å; Y292-F343 HydrophobicContact CE2-CE1 3.69Å; Y292-F343 AromaticContact CE2-CZ 3.71Å; Y292-F343 HydrophobicContact CE2-CZ 3.71Å; Y292-L356 HydrophobicContact CD1-CD2 3.89Å; Y292-L356 HydrophobicContact CD2-CD1 3.98Å; Y292-L356 HydrophobicContact CD2-CD2 4.28Å; Y292-L356 HydrophobicContact CG-CD1 4.05Å; Y292-L356 HydrophobicContact CG-CD2 3.67Å; Y292-L356 HydrophobicContact CG-CG 4.48Å; Y292-L371 HydrophobicContact CD2-CD1 4.31Å; Y292-L371 HydrophobicContact CE1-CD2 3.94Å; Y292-L371 HydrophobicContact CE2-CD1 3.53Å; Y292-L371 HydrophobicContact CE2-CD2 4.02Å; Y292-L371 HydrophobicContact CE2-CG 4.44Å; Y292-L371 WeakPolarHBondContact OH-CD2 3.41Å
293	V	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	-176.5	-176.2	0	0	0	0	108.8	I248 F278 P281 G283 V284 I291 D295 I301 R302 I304	I248-V293 HydrophobicContact CD1-CG1 3.83Å; I248-V293 HydrophobicContact CD1-CG2 4.18Å; I248-V293 HydrophobicContact CG1-CG1 4.31Å; I248-V293 HydrophobicContact CG1-CG2 4.01Å; F278-V293 HydrophobicContact CD1-CG1 4.43Å; F278-V293 HydrophobicContact CE1-CG1 4.47Å; F278-V293 HydrophobicContact CE1-CG2 4.49Å; P281-V293 HydrophobicContact CB-CG1 3.68Å; G283-V293 CarbonylContact O-C 3.57Å; G283-V293 WeakPolarHBondContact O-CA 3.41Å; V284-V293 HydrophobicContact CG1-CG1 4.45Å; V284-V293 HydrophobicContact CG1-CG2 4.21Å; I291-V293 HydrophobicContact CG2-CG2 4.07Å; V293-D295 PolarHBondContact O-N 2.91Å; V293-I301 CarbonylContact O-C 3.59Å; V293-I301 WeakPolarHBondContact O-CA 3.47Å; V293-R302 HydrophobicContact CB-CB 4.21Å; V293-R302 PolarHBondContact N-O 3.09Å; V293-R302 PolarHBondContact O-N 2.82Å; V293-I304 HydrophobicContact CG2-CD1 3.92Å; V293-I304 HydrophobicContact CG2-CG1 4.18Å
294	A	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	100.6	161.1	0	0	0	0	0	108.6	Q282 G283 T296 I301 P338 V341	Q282-A294 PolarHBondContact N-O 2.75Å; G283-A294 PolarHBondContact O-N 3.37Å; A294-T296 PolarHBondContact O-N 3.01Å; A294-T296 PolarHBondContact O-OG1 3.49Å; A294-I301 HydrophobicContact CB-CD1 4.38Å; A294-P338 HydrophobicContact CB-CB 3.89Å; A294-P338 HydrophobicContact CB-CG 4.22Å; A294-P338 WeakPolarHBondContact CB-O 3.2Å; A294-V341 HydrophobicContact CB-CG1 4.07Å
295	D	98.9	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	82.2	-177.9	-172	20.6	0	0	0	108.5	N279 V293 N298 H299 L300 R302	N279-D295 PolarHBondContact N-OD1 3.43Å; V293-D295 PolarHBondContact O-N 2.91Å; D295-N298 HydrophobicContact CB-CB 4.49Å; D295-N298 VanDerWaalsContact CG-ND2 3.33Å; D295-N298 PolarHBondContact O-N 3.08Å; D295-N298 PolarHBondContact OD1-ND2 2.87Å; D295-N298 PolarHBondContact OD2-ND2 2.88Å; D295-H299 PolarHBondContact O-N 3.38Å; D295-H299 VanDerWaalsContact O-N 3.1Å; D295-L300 HydrophobicContact CB-CB 4.26Å; D295-L300 PolarHBondContact N-O 3.1Å; D295-L300 PolarHBondContact O-N 3.35Å; D295-L300 VanDerWaalsContact O-N 3.14Å; D295-R302 HydrophobicContact CB-CG 3.51Å; D295-R302 WeakPolarHBondContact OD2-CG 3.45Å; D295-R302 IonicContact OD2-CZ 2.66Å; D295-R302 IonicContact OD2-NH1 2.72Å; D295-R302 PolarHBondContact OD2-NH1 2.89Å
296	T	98.8	Very high	98	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.9	-52.1	-153.5	-54.4	0	0	0	0	113.5	Q282 A294 N298 H299 P338 W339	Q282-T296 WeakPolarHBondContact CB-OG1 3.48Å; Q282-T296 HydrophobicContact CG-CG2 4.48Å; Q282-T296 WeakPolarHBondContact CG-OG1 3.44Å; A294-T296 PolarHBondContact O-N 3.01Å; A294-T296 PolarHBondContact O-OG1 3.49Å; T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.87Å; T296-H299 WeakPolarHBondContact O-CA 3.5Å; T296-H299 PolarHBondContact O-N 2.81Å; T296-H299 PolarHBondContact O-ND1 2.84Å; T296-P338 WeakPolarHBondContact CB-O 3.28Å; T296-P338 WeakPolarHBondContact CG2-O 3.38Å; T296-P338 PolarHBondContact OG1-O 3.42Å; T296-W339 HydrophobicContact CG2-CD2 4.48Å; T296-W339 HydrophobicContact CG2-CE3 3.79Å; T296-W339 HydrophobicContact CG2-CZ3 3.99Å
297	E	97.9	Very high	97.8	Very high	43 Å²	43	26.9 Å²	26.9	20%	0.201	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78.1	-12.8	-177.9	-69.6	-66.9	141	0	0	112.7	I94 N279 H299	I94-E297 WeakPolarHBondContact CG2-OE1 3.32Å; N279-E297 HydrophobicContact CB-CB 4.14Å; N279-E297 VanDerWaalsContact CG-CB 3.49Å; N279-E297 WeakPolarHBondContact ND2-CB 3.46Å; N279-E297 PolarHBondContact O-N 3.46Å; E297-H299 VanDerWaalsContact C-N 3.33Å
298	N	98.6	Very high	97.8	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.07	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-84	-13.9	164.9	-80.8	-35	0	0	0	112	G267 N279 D295 T296 L300 G318	G267-N298 PolarHBondContact O-ND2 3.27Å; N279-N298 HydrophobicContact CB-CB 4.32Å; N279-N298 VanDerWaalsContact CB-ND2 3.31Å; N279-N298 WeakPolarHBondContact CB-ND2 3.43Å; N279-N298 WeakPolarHBondContact CB-OD1 3.44Å; N279-N298 PolarHBondContact N-ND2 3.12Å; D295-N298 HydrophobicContact CB-CB 4.49Å; D295-N298 VanDerWaalsContact CG-ND2 3.33Å; D295-N298 PolarHBondContact O-N 3.08Å; D295-N298 PolarHBondContact OD1-ND2 2.87Å; D295-N298 PolarHBondContact OD2-ND2 2.88Å; T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.87Å; N298-L300 VanDerWaalsContact C-N 3.28Å; N298-L300 HydrophobicContact CB-CB 4.2Å; N298-L300 HydrophobicContact CB-CD1 3.94Å; N298-L300 HydrophobicContact CB-CG 3.9Å; N298-L300 PolarHBondContact O-N 2.83Å; N298-G318 CarbonylContact O-C 3.49Å; N298-G318 WeakPolarHBondContact O-CA 3.2Å
299	H	98.7	Very high	98	Very high	18 Å²	18	26 Å²	26	8%	0.083	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	49.1	-168	-40.5	-80.7	0	0	0	111.8	D295 T296 E297 Q320 I335 S337	D295-H299 PolarHBondContact O-N 3.38Å; D295-H299 VanDerWaalsContact O-N 3.1Å; T296-H299 WeakPolarHBondContact O-CA 3.5Å; T296-H299 PolarHBondContact O-N 2.81Å; T296-H299 PolarHBondContact O-ND1 2.84Å; E297-H299 VanDerWaalsContact C-N 3.33Å; H299-Q320 VanDerWaalsContact CD2-CA 3.47Å; H299-Q320 WeakPolarHBondContact CD2-CA 3.4Å; H299-Q320 PolarHBondContact CD2-N 3.01Å; H299-Q320 WeakPolarHBondContact NE2-CB 3.27Å; H299-Q320 PolarHBondContact NE2-N 3.05Å; H299-I335 HydrophobicContact CB-CG1 4.42Å; H299-I335 WeakPolarHBondContact CB-O 3.27Å; H299-I335 WeakPolarHBondContact O-CD1 3.15Å; H299-I335 WeakPolarHBondContact O-CG1 3.18Å; H299-S337 PolarHBondContact CE1-OG 3.34Å; H299-S337 VanDerWaalsContact CE1-OG 3.3Å; H299-S337 PolarHBondContact ND1-N 3.09Å; H299-S337 VanDerWaalsContact ND1-N 3.13Å; H299-S337 PolarHBondContact ND1-OG 2.78Å
300	L	98.9	Very high	98.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.2	-179.5	-66.4	179.5	0	0	0	111.5	R268 D295 N298 R302 T313 A315 G316 G318	R268-L300 HydrophobicContact CB-CD1 4.38Å; D295-L300 HydrophobicContact CB-CB 4.26Å; D295-L300 PolarHBondContact N-O 3.1Å; D295-L300 PolarHBondContact O-N 3.35Å; D295-L300 VanDerWaalsContact O-N 3.14Å; N298-L300 VanDerWaalsContact C-N 3.28Å; N298-L300 HydrophobicContact CB-CB 4.2Å; N298-L300 HydrophobicContact CB-CD1 3.94Å; N298-L300 HydrophobicContact CB-CG 3.9Å; N298-L300 PolarHBondContact O-N 2.83Å; L300-R302 HydrophobicContact CB-CG 4.42Å; L300-T313 HydrophobicContact CB-CG2 4.39Å; L300-T313 HydrophobicContact CD1-CG2 4.06Å; L300-T313 HydrophobicContact CD2-CG2 3.72Å; L300-T313 HydrophobicContact CG-CG2 4.27Å; L300-A315 CarbonylContact C-O 3.52Å; L300-A315 WeakPolarHBondContact CA-O 3.27Å; L300-G316 WeakPolarHBondContact CD2-O 3.5Å; L300-G318 VanDerWaalsContact CD2-N 3.29Å
301	I	98.9	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123	157.7	-53.7	-59.5	0	0	0	107.7	Y292 V293 A294 V314 A315 I335 P338 V341 L356 I358 L369	Y292-I301 HydrophobicContact CD1-CG2 4.15Å; V293-I301 CarbonylContact O-C 3.59Å; V293-I301 WeakPolarHBondContact O-CA 3.47Å; A294-I301 HydrophobicContact CB-CD1 4.38Å; I301-V314 HydrophobicContact CB-CG2 3.98Å; I301-V314 HydrophobicContact CG2-CG2 3.64Å; I301-V314 VanDerWaalsContact O-CG2 3.29Å; I301-V314 WeakPolarHBondContact O-CG2 3.46Å; I301-V314 PolarHBondContact O-N 2.78Å; I301-A315 HydrophobicContact CB-CB 3.98Å; I301-A315 HydrophobicContact CG1-CB 3.98Å; I301-A315 PolarHBondContact N-O 3.19Å; I301-A315 PolarHBondContact O-N 3.43Å; I301-I335 HydrophobicContact CD1-CD1 4.27Å; I301-I335 HydrophobicContact CG1-CD1 3.9Å; I301-P338 HydrophobicContact CD1-CB 3.58Å; I301-P338 HydrophobicContact CD1-CG 3.84Å; I301-V341 HydrophobicContact CD1-CG1 4.17Å; I301-L356 HydrophobicContact CG2-CD2 3.77Å; I301-I358 HydrophobicContact CD1-CD1 4.09Å; I301-I358 HydrophobicContact CD1-CG1 4.34Å; I301-I358 HydrophobicContact CD1-CG2 4.09Å; I301-I358 HydrophobicContact CG1-CD1 3.92Å; I301-L369 HydrophobicContact CG2-CD2 4.46Å
302	R	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.9	-179.5	-43	-67.7	-68.6	-70.4	-4.8	109.4	K269 D270 T277 F278 Y292 V293 D295 L300 V311 S312 T313	K269-R302 PolarHBondContact O-NH2 3.13Å; D270-R302 IonicContact OD1-CZ 2.78Å; D270-R302 IonicContact OD1-NE 3.71Å; D270-R302 PolarHBondContact OD1-NE 3.37Å; D270-R302 IonicContact OD1-NH2 3.27Å; D270-R302 PolarHBondContact OD1-NH2 3.26Å; T277-R302 PolarHBondContact O-NH1 2.91Å; T277-R302 PolarHBondContact O-NH2 3.15Å; F278-R302 HydrophobicContact CD1-CG 4.1Å; F278-R302 HydrophobicContact CE1-CB 3.96Å; F278-R302 HydrophobicContact CE1-CG 3.99Å; Y292-R302 CarbonylContact C-O 3.51Å; Y292-R302 WeakPolarHBondContact CA-O 3.48Å; V293-R302 HydrophobicContact CB-CB 4.21Å; V293-R302 PolarHBondContact N-O 3.09Å; V293-R302 PolarHBondContact O-N 2.82Å; D295-R302 HydrophobicContact CB-CG 3.51Å; D295-R302 WeakPolarHBondContact OD2-CG 3.45Å; D295-R302 IonicContact OD2-CZ 2.66Å; D295-R302 IonicContact OD2-NH1 2.72Å; D295-R302 PolarHBondContact OD2-NH1 2.89Å; L300-R302 HydrophobicContact CB-CG 4.42Å; R302-V311 HydrophobicContact CB-CG1 4.43Å; R302-S312 CarbonylContact C-O 3.5Å; R302-T313 PolarHBondContact NE-OG1 3.47Å
303	K	98.9	Very high	98.1	Very high	48 Å²	48	30.9 Å²	30.9	21%	0.209	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	173.3	-179.1	-163.6	170.3	-156.8	0	108	I290 I291 Y292 D305 V311 S312 V314	I290-K303 HydrophobicContact CG2-CD 4.2Å; I290-K303 HydrophobicContact CG2-CG 3.76Å; I291-K303 CarbonylContact O-C 3.54Å; I291-K303 WeakPolarHBondContact O-CA 3.32Å; Y292-K303 HydrophobicContact CD1-CB 4.11Å; Y292-K303 HydrophobicContact CD1-CG 4.44Å; Y292-K303 HydrophobicContact CE1-CB 3.79Å; Y292-K303 HydrophobicContact CE1-CD 4.47Å; Y292-K303 HydrophobicContact CE1-CG 3.89Å; K303-D305 IonicContact NZ-OD2 3.14Å; K303-D305 PolarHBondContact NZ-OD2 3.26Å; K303-V311 CarbonylContact O-C 3.37Å; K303-V311 VanDerWaalsContact O-CA 3.28Å; K303-V311 WeakPolarHBondContact O-CA 3.45Å; K303-S312 PolarHBondContact N-O 3.3Å; K303-S312 PolarHBondContact O-N 3.19Å; K303-V314 HydrophobicContact CB-CG1 3.71Å
304	I	98.8	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	168.1	-47.2	-178.7	0	0	0	107.3	I248 I261 F273 F278 I290 I291 V293 L306 R310 V311	I248-I304 HydrophobicContact CB-CD1 4.03Å; I248-I304 HydrophobicContact CG1-CD1 4.03Å; I248-I304 HydrophobicContact CG2-CD1 4.04Å; I261-I304 HydrophobicContact CD1-CD1 4.08Å; I261-I304 HydrophobicContact CD1-CG2 3.59Å; F273-I304 HydrophobicContact CE1-CG2 3.54Å; F273-I304 HydrophobicContact CZ-CG2 3.87Å; F278-I304 HydrophobicContact CZ-CD1 3.91Å; F278-I304 HydrophobicContact CZ-CG1 4.31Å; I290-I304 WeakPolarHBondContact CA-O 3.4Å; I291-I304 HydrophobicContact CB-CB 4.07Å; I291-I304 HydrophobicContact CB-CG1 4.48Å; I291-I304 PolarHBondContact N-O 3.23Å; I291-I304 PolarHBondContact O-N 3.32Å; V293-I304 HydrophobicContact CG2-CD1 3.92Å; V293-I304 HydrophobicContact CG2-CG1 4.18Å; I304-L306 HydrophobicContact CG2-CD2 3.99Å; I304-R310 WeakPolarHBondContact CA-O 3.3Å; I304-V311 HydrophobicContact CG1-CG2 4.13Å; I304-V311 HydrophobicContact CG2-CG2 4.34Å
305	D	98.3	Very high	98.1	Very high	32 Å²	32	32.4 Å²	32.4	17%	0.171	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.8	175.1	-162.3	-50.9	0	0	0	108.1	I290 K303 E307 A308 E309 R310	I290-D305 HydrophobicContact CD1-CB 3.99Å; I290-D305 VanDerWaalsContact CD1-OD2 3.27Å; I290-D305 WeakPolarHBondContact CD1-OD2 3.41Å; K303-D305 IonicContact NZ-OD2 3.14Å; K303-D305 PolarHBondContact NZ-OD2 3.26Å; D305-E307 VanDerWaalsContact C-N 3.31Å; D305-E307 PolarHBondContact OD1-N 2.87Å; D305-A308 HydrophobicContact CB-CB 4.09Å; D305-A308 PolarHBondContact OD1-N 2.55Å; D305-E309 VanDerWaalsContact O-CA 3.25Å; D305-E309 WeakPolarHBondContact O-CA 3.36Å; D305-E309 PolarHBondContact O-N 3.03Å; D305-R310 PolarHBondContact N-O 2.71Å; D305-R310 PolarHBondContact O-N 2.76Å; D305-R310 VanDerWaalsContact O-N 3.14Å
306	L	96.1	Very high	98.1	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-21.6	-175.7	-59.4	177.9	0	0	0	112.7	V250 Y259 I261 F273 I286 N289 I291 I304	V250-L306 HydrophobicContact CG2-CD2 4.1Å; Y259-L306 HydrophobicContact CD2-CD2 4.05Å; Y259-L306 HydrophobicContact CE2-CD2 4.27Å; I261-L306 HydrophobicContact CD1-CD2 4.44Å; F273-L306 HydrophobicContact CZ-CD2 4.03Å; I286-L306 HydrophobicContact CD1-CD1 4.11Å; N289-L306 HydrophobicContact CB-CB 4.19Å; N289-L306 VanDerWaalsContact O-CB 3.31Å; N289-L306 WeakPolarHBondContact O-CB 3.48Å; N289-L306 VanDerWaalsContact O-CG 3.31Å; N289-L306 WeakPolarHBondContact O-CG 3.21Å; N289-L306 PolarHBondContact O-N 2.89Å; I291-L306 HydrophobicContact CD1-CD1 4.07Å; I291-L306 HydrophobicContact CD1-CD2 3.96Å; I291-L306 HydrophobicContact CD1-CG 4.19Å; I291-L306 HydrophobicContact CG1-CD1 4.35Å; I291-L306 HydrophobicContact CG1-CG 4.46Å; I304-L306 HydrophobicContact CG2-CD2 3.99Å
307	E	95	Very high	98.1	Very high	143 Å²	143	35.4 Å²	35.4	67%	0.668	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-41.9	176.8	-68.3	179.7	-170.3	0	0	111	N289 D305 E309	N289-E307 HydrophobicContact CB-CG 3.9Å; N289-E307 PolarHBondContact ND2-OE1 2.9Å; D305-E307 VanDerWaalsContact C-N 3.31Å; D305-E307 PolarHBondContact OD1-N 2.87Å; E307-E309 VanDerWaalsContact C-N 3.34Å
308	A	95.1	Very high	98.1	Very high	58 Å²	58	34 Å²	34	48%	0.479	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13	176.1	0	0	0	0	0	113.6	D305 R310	D305-A308 HydrophobicContact CB-CB 4.09Å; D305-A308 PolarHBondContact OD1-N 2.55Å; A308-R310 HydrophobicContact CB-CG 4.41Å; A308-R310 WeakPolarHBondContact O-CG 3.27Å; A308-R310 PolarHBondContact O-N 3.43Å
309	E	97.2	Very high	98	Very high	78 Å²	78	38.5 Å²	38.5	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	46.6	-172.1	-60.4	-171.5	170.6	0	0	113.5	Y259 F273 D305 E307	Y259-E309 PolarHBondContact OH-OE1 3.21Å; F273-E309 HydrophobicContact CD2-CB 4.26Å; F273-E309 HydrophobicContact CE1-CB 4.32Å; F273-E309 HydrophobicContact CE2-CB 3.93Å; F273-E309 HydrophobicContact CE2-CG 3.95Å; F273-E309 VanDerWaalsContact CZ-CA 3.47Å; F273-E309 HydrophobicContact CZ-CB 3.98Å; F273-E309 HydrophobicContact CZ-CG 4.24Å; D305-E309 VanDerWaalsContact O-CA 3.25Å; D305-E309 WeakPolarHBondContact O-CA 3.36Å; D305-E309 PolarHBondContact O-N 3.03Å; E307-E309 VanDerWaalsContact C-N 3.34Å
310	R	97.6	Very high	98	Very high	133 Å²	133	40.5 Å²	40.5	50%	0.502	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.4	-178.2	-61.7	-171.2	74.9	87.9	1.7	113.6	G271 I304 D305 A308	G271-R310 CarbonylContact O-C 3.5Å; G271-R310 VanDerWaalsContact O-CA 3.25Å; G271-R310 WeakPolarHBondContact O-CA 3.35Å; I304-R310 WeakPolarHBondContact CA-O 3.3Å; D305-R310 PolarHBondContact N-O 2.71Å; D305-R310 PolarHBondContact O-N 2.76Å; D305-R310 VanDerWaalsContact O-N 3.14Å; A308-R310 HydrophobicContact CB-CG 4.41Å; A308-R310 WeakPolarHBondContact O-CG 3.27Å; A308-R310 PolarHBondContact O-N 3.43Å
311	V	98.8	Very high	97.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.2	167.7	-173	0	0	0	0	109.7	I261 D270 G271 F273 S276 F278 R302 K303 I304	I261-V311 HydrophobicContact CG2-CG2 3.8Å; D270-V311 WeakPolarHBondContact CB-O 3.5Å; G271-V311 PolarHBondContact N-O 3.45Å; G271-V311 PolarHBondContact O-N 3.21Å; F273-V311 HydrophobicContact CD1-CG2 4.17Å; F273-V311 HydrophobicContact CE1-CG2 4.41Å; S276-V311 VanDerWaalsContact OG-CB 3.31Å; S276-V311 WeakPolarHBondContact OG-CB 3.3Å; S276-V311 WeakPolarHBondContact OG-CG2 3.38Å; F278-V311 HydrophobicContact CE1-CG1 4.2Å; F278-V311 HydrophobicContact CZ-CG1 4.04Å; F278-V311 HydrophobicContact CZ-CG2 4.29Å; R302-V311 HydrophobicContact CB-CG1 4.43Å; K303-V311 CarbonylContact O-C 3.37Å; K303-V311 VanDerWaalsContact O-CA 3.28Å; K303-V311 WeakPolarHBondContact O-CA 3.45Å; I304-V311 HydrophobicContact CG1-CG2 4.13Å; I304-V311 HydrophobicContact CG2-CG2 4.34Å
312	S	98.8	Very high	97.8	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.5	174.6	57.3	0	0	0	0	111.2	D270 R302 K303	D270-S312 WeakPolarHBondContact OD1-CA 3.48Å; R302-S312 CarbonylContact C-O 3.5Å; K303-S312 PolarHBondContact N-O 3.3Å; K303-S312 PolarHBondContact O-N 3.19Å
313	T	98.9	Very high	97.8	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135	171.9	-55.7	0	0	0	0	111	D270 L300 R302 E331	D270-T313 PolarHBondContact OD1-N 3.28Å; D270-T313 PolarHBondContact OD1-OG1 3.19Å; D270-T313 WeakPolarHBondContact OD2-CB 3.14Å; D270-T313 PolarHBondContact OD2-N 2.94Å; D270-T313 PolarHBondContact OD2-OG1 3.28Å; L300-T313 HydrophobicContact CB-CG2 4.39Å; L300-T313 HydrophobicContact CD1-CG2 4.06Å; L300-T313 HydrophobicContact CD2-CG2 3.72Å; L300-T313 HydrophobicContact CG-CG2 4.27Å; R302-T313 PolarHBondContact NE-OG1 3.47Å; T313-E331 HydrophobicContact CG2-CG 4.31Å
314	V	98.8	Very high	97.8	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-17.4	-178.2	-63.7	0	0	0	0	114.3	Y292 I301 K303 G330 L369	Y292-V314 HydrophobicContact CD1-CG2 4.01Å; Y292-V314 HydrophobicContact CE1-CG1 4.36Å; Y292-V314 HydrophobicContact CE1-CG2 3.85Å; I301-V314 HydrophobicContact CB-CG2 3.98Å; I301-V314 HydrophobicContact CG2-CG2 3.64Å; I301-V314 VanDerWaalsContact O-CG2 3.29Å; I301-V314 WeakPolarHBondContact O-CG2 3.46Å; I301-V314 PolarHBondContact O-N 2.78Å; K303-V314 HydrophobicContact CB-CG1 3.71Å; V314-G330 CarbonylContact O-C 3.58Å; V314-G330 WeakPolarHBondContact O-CA 3.41Å; V314-L369 HydrophobicContact CB-CD2 4.25Å; V314-L369 HydrophobicContact CG2-CD2 3.73Å
315	A	98.8	Very high	97.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155	170.7	0	0	0	0	0	111.5	L300 I301 G330 L369 C387	L300-A315 CarbonylContact C-O 3.52Å; L300-A315 WeakPolarHBondContact CA-O 3.27Å; I301-A315 HydrophobicContact CB-CB 3.98Å; I301-A315 HydrophobicContact CG1-CB 3.98Å; I301-A315 PolarHBondContact N-O 3.19Å; I301-A315 PolarHBondContact O-N 3.43Å; A315-G330 WeakPolarHBondContact CA-O 3.28Å; A315-L369 HydrophobicContact CB-CD1 4.34Å; A315-L369 HydrophobicContact CB-CD2 4.28Å; A315-C387 HydrophobicContact CB-CB 4.49Å
316	G	98.8	Very high	97.8	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.031	30%	0.304	C	S	.	.			trans	93.7	154.7	-177.8	0	0	0	0	0	113	L300 G330 Q333	L300-G316 WeakPolarHBondContact CD2-O 3.5Å; G316-G330 PolarHBondContact N-O 3.12Å; G316-Q333 WeakPolarHBondContact CA-O 3.45Å; G316-Q333 PolarHBondContact N-O 2.77Å
317	I	98.5	Very high	97.8	Very high	62 Å²	62	58.3 Å²	58.3	32%	0.318	32%	0.32	S	S	.	.			trans	-104.8	-1.6	-179.2	60.5	163.3	0	0	0	113.3	I319 E331 P334	I317-I319 HydrophobicContact CD1-CD1 3.78Å; I317-I319 HydrophobicContact CD1-CG1 3.44Å; I317-I319 VanDerWaalsContact CD1-CG1 3.44Å; I317-I319 HydrophobicContact CG1-CG1 3.7Å; I317-E331 WeakPolarHBondContact CG2-O 3.38Å; I317-P334 HydrophobicContact CD1-CB 4.01Å; I317-P334 HydrophobicContact CD1-CG 3.89Å; I317-P334 HydrophobicContact CG1-CB 4.1Å; I317-P334 HydrophobicContact CG1-CG 4.3Å; I317-P334 HydrophobicContact CG2-CG 4.45Å
318	G	97.6	Very high	98	Very high	13 Å²	13	53.3 Å²	53.3	13%	0.134	30%	0.303	C	S	.	.	S	Bend	trans	90	11.7	178.6	0	0	0	0	0	114.9	N298 L300	N298-G318 CarbonylContact O-C 3.49Å; N298-G318 WeakPolarHBondContact O-CA 3.2Å; L300-G318 VanDerWaalsContact CD2-N 3.29Å
319	I	96.7	Very high	98.1	Very high	107 Å²	107	56 Å²	56	55%	0.549	30%	0.304	S	S	.	.	S	Bend	trans	-145.2	160.1	175.4	58.8	168.8	0	0	0	109.5	I317 G321	I317-I319 HydrophobicContact CD1-CD1 3.78Å; I317-I319 HydrophobicContact CD1-CG1 3.44Å; I317-I319 VanDerWaalsContact CD1-CG1 3.44Å; I317-I319 HydrophobicContact CG1-CG1 3.7Å; I319-G321 PolarHBondContact O-N 2.98Å
320	Q	97.9	Very high	98.1	Very high	61 Å²	61	52.5 Å²	52.5	29%	0.285	29%	0.289	S	S	.	.			trans	-59.3	121.1	-178.3	-169.3	-172.6	-7.9	0	0	111.4	H95 E181 H299	H95-Q320 PolarHBondContact CE1-NE2 3.48Å; H95-Q320 VanDerWaalsContact CE1-NE2 3.26Å; H95-Q320 PolarHBondContact ND1-NE2 2.8Å; E181-Q320 PolarHBondContact OE2-NE2 3.42Å; H299-Q320 VanDerWaalsContact CD2-CA 3.47Å; H299-Q320 WeakPolarHBondContact CD2-CA 3.4Å; H299-Q320 PolarHBondContact CD2-N 3.01Å; H299-Q320 WeakPolarHBondContact NE2-CB 3.27Å; H299-Q320 PolarHBondContact NE2-N 3.05Å
321	G	97.6	Very high	98.1	Very high	4 Å²	4	52.3 Å²	52.3	4%	0.041	29%	0.294	C	S	.	.			trans	-85.7	146.9	172.5	0	0	0	0	0	112.5	I319 I335 S336	I319-G321 PolarHBondContact O-N 2.98Å; G321-I335 WeakPolarHBondContact CA-O 3.13Å; G321-I335 PolarHBondContact N-O 3.25Å; G321-S336 VanDerWaalsContact O-CB 3.23Å; G321-S336 WeakPolarHBondContact O-CB 3.34Å; G321-S336 PolarHBondContact O-OG 3.49Å
322	T	97.2	Very high	98.1	Very high	117 Å²	117	59.2 Å²	59.2	72%	0.718	33%	0.326	S	S	*	.			trans	-113	5.4	169	55.6	0	0	0	0	112.5	K324	T322-K324 PolarHBondContact O-N 2.86Å
323	D	98.5	Very high	98.1	Very high	53 Å²	53	57 Å²	57	28%	0.283	31%	0.31	S	S	.	.			trans	-66.1	124.4	175.1	-173.9	-8.8	0	0	0	110	E325 G326 Q333 W367	D323-E325 PolarHBondContact OD1-N 3.34Å; D323-G326 PolarHBondContact OD1-N 3.09Å; D323-G326 WeakPolarHBondContact OD2-CA 3.38Å; D323-G326 PolarHBondContact OD2-N 3.15Å; D323-Q333 PolarHBondContact OD2-NE2 3.1Å; D323-W367 WeakPolarHBondContact O-CZ2 3.5Å
324	K	98.4	Very high	98.1	Very high	93 Å²	93	57.8 Å²	57.8	40%	0.404	32%	0.316	S	S	.	.	S	Bend	trans	-102.4	-1.3	-179.1	-62.1	-176	-179	-159.2	0	112.6	T322 Q365 R389 G394	T322-K324 PolarHBondContact O-N 2.86Å; K324-Q365 PolarHBondContact O-NE2 3.35Å; K324-R389 PolarHBondContact O-NE 3.15Å; K324-R389 PolarHBondContact O-NH1 3.02Å; K324-R389 VanDerWaalsContact O-NH1 3.07Å; K324-R389 PolarHBondContact O-NH2 3.48Å; K324-G394 PolarHBondContact NZ-O 2.89Å
325	E	98.4	Very high	98.1	Very high	134 Å²	134	56.3 Å²	56.3	63%	0.626	31%	0.307	S	S	*	.	S	Bend	trans	-117.3	-51.3	-175.4	-45	-158.8	136.9	0	0	112.4	D323 R389	D323-E325 PolarHBondContact OD1-N 3.34Å; E325-R389 WeakPolarHBondContact O-CB 3.26Å; E325-R389 PolarHBondContact O-N 2.8Å; E325-R389 IonicContact OE1-NH2 2.66Å
326	G	98.3	Very high	98.1	Very high	25 Å²	25	56.4 Å²	56.4	26%	0.258	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.8	-162.3	-172.1	0	0	0	0	0	114.7	D323 Q333	D323-G326 PolarHBondContact OD1-N 3.09Å; D323-G326 WeakPolarHBondContact OD2-CA 3.38Å; D323-G326 PolarHBondContact OD2-N 3.15Å; G326-Q333 VanDerWaalsContact CA-CD 3.5Å
327	G	97.4	Very high	98.1	Very high	38 Å²	38	56.2 Å²	56.2	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.6	-9.6	-177.4	0	0	0	0	0	114	Q333 C387	G327-Q333 VanDerWaalsContact N-OE1 3.09Å; G327-C387 PolarHBondContact N-O 3.2Å
328	A	98.4	Very high	98.1	Very high	38 Å²	38	53.3 Å²	53.3	31%	0.314	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	169.3	171.1	0	0	0	0	0	111.1	Q332 Q333 C387	A328-Q332 HydrophobicContact CB-CB 4.28Å; A328-Q333 HydrophobicContact CB-CB 4.04Å; A328-C387 PolarHBondContact O-N 2.99Å
329	K	98.4	Very high	98.2	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.3	179.7	-70.5	-171.9	175.3	-172	0	110.9	E331 Q332 T383 G385	K329-E331 PolarHBondContact O-N 3.42Å; K329-E331 VanDerWaalsContact O-N 3.11Å; K329-Q332 WeakPolarHBondContact O-CB 3.46Å; K329-Q332 PolarHBondContact O-N 2.77Å; K329-T383 WeakPolarHBondContact CE-OG1 3.41Å; K329-G385 CarbonylContact C-O 3.38Å; K329-G385 WeakPolarHBondContact CA-O 3.33Å
330	G	96.8	Very high	98.3	Very high	6 Å²	6	49 Å²	49	6%	0.062	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	42.3	-111.5	164.5	0	0	0	0	0	113.9	V314 A315 G316 Q332 Q333 G385	V314-G330 CarbonylContact O-C 3.58Å; V314-G330 WeakPolarHBondContact O-CA 3.41Å; A315-G330 WeakPolarHBondContact CA-O 3.28Å; G316-G330 PolarHBondContact N-O 3.12Å; G330-Q332 PolarHBondContact O-N 2.93Å; G330-Q333 WeakPolarHBondContact O-CB 3.24Å; G330-Q333 PolarHBondContact O-N 2.85Å; G330-G385 PolarHBondContact N-O 3Å
331	E	97.8	Very high	98.3	Very high	128 Å²	128	46.1 Å²	46.1	60%	0.598	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-63.9	-5.6	-176.5	-61.2	174.5	-105.8	0	0	114.9	T313 I317 K329	T313-E331 HydrophobicContact CG2-CG 4.31Å; I317-E331 WeakPolarHBondContact CG2-O 3.38Å; K329-E331 PolarHBondContact O-N 3.42Å; K329-E331 VanDerWaalsContact O-N 3.11Å
332	Q	98.4	Very high	98.4	Very high	148 Å²	148	47.1 Å²	47.1	69%	0.692	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-95.9	-11.6	173.2	-58.7	176	3.7	0	0	112.6	A328 K329 G330 P334	A328-Q332 HydrophobicContact CB-CB 4.28Å; K329-Q332 WeakPolarHBondContact O-CB 3.46Å; K329-Q332 PolarHBondContact O-N 2.77Å; G330-Q332 PolarHBondContact O-N 2.93Å; Q332-P334 WeakPolarHBondContact O-CD 3.47Å
333	Q	98.8	Very high	98.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	23%	0.229	C	C	.	.	S	Bend	trans	-94.4	115	-176.3	-179.6	59.5	61.6	0	0	110.1	G316 D323 G326 G327 A328 G330 I335 W367 C387	G316-Q333 WeakPolarHBondContact CA-O 3.45Å; G316-Q333 PolarHBondContact N-O 2.77Å; D323-Q333 PolarHBondContact OD2-NE2 3.1Å; G326-Q333 VanDerWaalsContact CA-CD 3.5Å; G327-Q333 VanDerWaalsContact N-OE1 3.09Å; A328-Q333 HydrophobicContact CB-CB 4.04Å; G330-Q333 WeakPolarHBondContact O-CB 3.24Å; G330-Q333 PolarHBondContact O-N 2.85Å; Q333-I335 HydrophobicContact CG-CG2 4.21Å; Q333-W367 HydrophobicContact CG-CZ3 3.81Å; Q333-C387 HydrophobicContact CB-CB 4.04Å; Q333-C387 HydrophobicContact CG-CB 3.91Å; Q333-C387 PolarHBondContact OE1-O 2.91Å
334	P	98.7	Very high	98.2	Very high	36 Å²	36	40.5 Å²	40.5	23%	0.234	22%	0.216	C	C	.	.			trans	-64.2	138.9	167.1	-16.2	30	0	0	0	110.6	I317 Q332	I317-P334 HydrophobicContact CD1-CB 4.01Å; I317-P334 HydrophobicContact CD1-CG 3.89Å; I317-P334 HydrophobicContact CG1-CB 4.1Å; I317-P334 HydrophobicContact CG1-CG 4.3Å; I317-P334 HydrophobicContact CG2-CG 4.45Å; Q332-P334 WeakPolarHBondContact O-CD 3.47Å
335	I	98.8	Very high	97.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.208	C	C	.	.			trans	-133.2	167.1	175.2	64.5	177.5	0	0	0	109	H299 I301 G321 Q333 P338 M360 W367	H299-I335 HydrophobicContact CB-CG1 4.42Å; H299-I335 WeakPolarHBondContact CB-O 3.27Å; H299-I335 WeakPolarHBondContact O-CD1 3.15Å; H299-I335 WeakPolarHBondContact O-CG1 3.18Å; I301-I335 HydrophobicContact CD1-CD1 4.27Å; I301-I335 HydrophobicContact CG1-CD1 3.9Å; G321-I335 WeakPolarHBondContact CA-O 3.13Å; G321-I335 PolarHBondContact N-O 3.25Å; Q333-I335 HydrophobicContact CG-CG2 4.21Å; I335-P338 HydrophobicContact CD1-CB 4.5Å; I335-P338 HydrophobicContact CD1-CG 3.98Å; I335-M360 HydrophobicContact CB-CE 3.73Å; I335-M360 HydrophobicContact CB-SD 3.87Å; I335-M360 HydrophobicContact CD1-CE 4.42Å; I335-M360 HydrophobicContact CG2-CE 3.91Å; I335-W367 HydrophobicContact CG2-CE3 4.28Å; I335-W367 HydrophobicContact CG2-CZ3 4.12Å
336	S	98.8	Very high	96.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.188	C	C	.	.			trans	-135.4	103	-172.1	-163.6	0	0	0	0	111.5	G321 M360 G362	G321-S336 VanDerWaalsContact O-CB 3.23Å; G321-S336 WeakPolarHBondContact O-CB 3.34Å; G321-S336 PolarHBondContact O-OG 3.49Å; S336-M360 PolarHBondContact N-SD 3.28Å; S336-M360 VanDerWaalsContact N-SD 3.41Å; S336-M360 WeakPolarHBondContact O-CG 3.23Å; S336-G362 WeakPolarHBondContact O-CA 3.37Å; S336-G362 PolarHBondContact O-N 3.33Å; S336-G362 VanDerWaalsContact O-N 3.11Å
337	S	98.6	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.			trans	50.4	64.9	174	-60.1	0	0	0	0	112.3	H95 H299 W339 A361	H95-S337 PolarHBondContact NE2-OG 3.34Å; H299-S337 PolarHBondContact CE1-OG 3.34Å; H299-S337 VanDerWaalsContact CE1-OG 3.3Å; H299-S337 PolarHBondContact ND1-N 3.09Å; H299-S337 VanDerWaalsContact ND1-N 3.13Å; H299-S337 PolarHBondContact ND1-OG 2.78Å; S337-W339 PolarHBondContact O-N 2.82Å; S337-A361 WeakPolarHBondContact O-CB 3.44Å; S337-A361 PolarHBondContact O-N 2.96Å
338	P	98.9	Very high	92.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.4	172	29.5	-34.7	0	0	0	108.5	A294 T296 I301 I335 I358 M360	A294-P338 HydrophobicContact CB-CB 3.89Å; A294-P338 HydrophobicContact CB-CG 4.22Å; A294-P338 WeakPolarHBondContact CB-O 3.2Å; T296-P338 WeakPolarHBondContact CB-O 3.28Å; T296-P338 WeakPolarHBondContact CG2-O 3.38Å; T296-P338 PolarHBondContact OG1-O 3.42Å; I301-P338 HydrophobicContact CD1-CB 3.58Å; I301-P338 HydrophobicContact CD1-CG 3.84Å; I335-P338 HydrophobicContact CD1-CB 4.5Å; I335-P338 HydrophobicContact CD1-CG 3.98Å; P338-I358 HydrophobicContact CB-CG2 3.72Å; P338-M360 HydrophobicContact CB-CE 4.4Å; P338-M360 HydrophobicContact CB-SD 4.08Å
339	W	98.9	Very high	90.2	Very high	13 Å²	13	42.1 Å²	42.1	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-34.2	-169.9	-148.2	-72.6	0	0	0	113.6	I91 I94 Q282 G283 T296 S337 A359 A361	I91-W339 HydrophobicContact CD1-CE3 4.45Å; I91-W339 HydrophobicContact CD1-CH2 4.31Å; I91-W339 HydrophobicContact CD1-CZ3 3.55Å; I94-W339 HydrophobicContact CD1-CH2 4.13Å; Q282-W339 WeakPolarHBondContact CB-O 3.32Å; G283-W339 WeakPolarHBondContact CA-O 3.38Å; G283-W339 PolarHBondContact N-O 3.2Å; T296-W339 HydrophobicContact CG2-CD2 4.48Å; T296-W339 HydrophobicContact CG2-CE3 3.79Å; T296-W339 HydrophobicContact CG2-CZ3 3.99Å; S337-W339 PolarHBondContact O-N 2.82Å; W339-A359 PolarHBondContact N-O 3.48Å; W339-A361 HydrophobicContact CB-CB 3.98Å; W339-A361 HydrophobicContact CD2-CB 4.07Å; W339-A361 HydrophobicContact CE3-CB 3.48Å; W339-A361 VanDerWaalsContact CE3-CB 3.48Å; W339-A361 HydrophobicContact CG-CB 4.34Å; W339-A361 HydrophobicContact CZ3-CB 4.26Å
340	D	98.9	Very high	88.1	Confident	16 Å²	16	41.6 Å²	41.6	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.8	172.9	-155.8	11.3	0	0	0	112	G283 I358 A359 G414 L415	G283-D340 WeakPolarHBondContact CA-OD1 3.32Å; D340-I358 WeakPolarHBondContact O-CA 3.32Å; D340-A359 HydrophobicContact CB-CB 4.15Å; D340-A359 PolarHBondContact O-N 2.79Å; D340-G414 VanDerWaalsContact OD2-CA 3.29Å; D340-G414 WeakPolarHBondContact OD2-CA 3.39Å; D340-L415 HydrophobicContact CB-CG 4.46Å; D340-L415 PolarHBondContact OD2-N 3.35Å
341	V	98.9	Very high	86.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.9	177.4	-68.3	0	0	0	0	111.5	A285 A294 I301 L356 W357 I358	A285-V341 HydrophobicContact CB-CG2 3.95Å; A285-V341 WeakPolarHBondContact CB-O 3.47Å; A294-V341 HydrophobicContact CB-CG1 4.07Å; I301-V341 HydrophobicContact CD1-CG1 4.17Å; V341-L356 HydrophobicContact CB-CD1 4.06Å; V341-L356 HydrophobicContact CB-CD2 4.38Å; V341-L356 HydrophobicContact CB-CG 4.22Å; V341-L356 HydrophobicContact CG1-CD2 4.18Å; V341-L356 HydrophobicContact CG1-CG 4.38Å; V341-W357 VanDerWaalsContact CA-O 3.22Å; V341-W357 WeakPolarHBondContact CA-O 3.41Å; V341-I358 HydrophobicContact CG1-CB 4.44Å; V341-I358 HydrophobicContact CG1-CG1 4.07Å; V341-I358 HydrophobicContact CG1-CG2 4.27Å
342	V	98.7	Very high	84.7	Confident	25 Å²	25	50.9 Å²	50.9	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.2	171.6	-64.3	0	0	0	0	110.7	W357 L415 L426	V342-W357 HydrophobicContact CG2-CB 3.89Å; V342-W357 HydrophobicContact CG2-CG 4.47Å; V342-W357 PolarHBondContact N-O 2.94Å; V342-W357 PolarHBondContact O-N 3.11Å; V342-L415 HydrophobicContact CG1-CB 3.99Å; V342-L415 WeakPolarHBondContact CG1-O 3.46Å; V342-L415 HydrophobicContact CG2-CB 3.8Å; V342-L415 HydrophobicContact CG2-CD1 4.23Å; V342-L426 HydrophobicContact CG2-CD1 3.71Å
343	F	97.7	Very high	83.7	Confident	30 Å²	30	44.2 Å²	44.2	13%	0.132	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	152.8	171.9	-74.1	-83.4	0	0	0	111.1	A285 M287 Y292 I355 L371 L417	A285-F343 HydrophobicContact CB-CD2 3.83Å; A285-F343 HydrophobicContact CB-CE2 3.86Å; M287-F343 HydrophobicContact CB-CD1 4.39Å; M287-F343 HydrophobicContact CB-CD2 3.73Å; M287-F343 HydrophobicContact CB-CE1 4.14Å; M287-F343 HydrophobicContact CB-CE2 3.48Å; M287-F343 VanDerWaalsContact CB-CE2 3.48Å; M287-F343 HydrophobicContact CB-CG 4.18Å; M287-F343 HydrophobicContact CB-CZ 3.67Å; M287-F343 HydrophobicContact CE-CD1 3.8Å; M287-F343 HydrophobicContact CE-CE1 3.83Å; M287-F343 HydrophobicContact CE-CG 4.37Å; M287-F343 HydrophobicContact CE-CZ 4.44Å; M287-F343 HydrophobicContact SD-CD1 4.38Å; M287-F343 HydrophobicContact SD-CG 4.38Å; Y292-F343 AromaticContact CD2-CE1 3.75Å; Y292-F343 HydrophobicContact CD2-CE1 3.75Å; Y292-F343 HydrophobicContact CD2-CE2 4.27Å; Y292-F343 AromaticContact CD2-CZ 3.44Å; Y292-F343 HydrophobicContact CD2-CZ 3.44Å; Y292-F343 VanDerWaalsContact CD2-CZ 3.44Å; Y292-F343 AromaticContact CE2-CE1 3.69Å; Y292-F343 HydrophobicContact CE2-CE1 3.69Å; Y292-F343 AromaticContact CE2-CZ 3.71Å; Y292-F343 HydrophobicContact CE2-CZ 3.71Å; F343-I355 CarbonylContact C-O 3.6Å; F343-L371 HydrophobicContact CD1-CD1 3.96Å; F343-L371 HydrophobicContact CE1-CD1 3.63Å; F343-L417 WeakPolarHBondContact O-CD2 3.46Å
344	G	93.6	Very high	83.2	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	174.1	172.4	0	0	0	0	0	112	G353 D354 I355	G344-G353 CarbonylContact O-C 3.54Å; G344-G353 VanDerWaalsContact O-CA 3.28Å; G344-G353 WeakPolarHBondContact O-CA 3.33Å; G344-D354 PolarHBondContact O-N 3.49Å; G344-D354 VanDerWaalsContact O-N 3.15Å; G344-I355 PolarHBondContact N-O 2.85Å; G344-I355 PolarHBondContact O-N 2.98Å; G344-I355 VanDerWaalsContact O-N 3.1Å
345	T	87.1	Confident	83.1	Confident	37 Å²	37	43 Å²	43	23%	0.227	24%	0.237	C	C	.	.			trans	-124.6	136.9	-175.2	47.1	0	0	0	0	112.7	G347 E349 D354	T345-G347 VanDerWaalsContact C-N 3.3Å; T345-G347 PolarHBondContact O-N 2.79Å; T345-E349 WeakPolarHBondContact CG2-O 3.39Å; T345-D354 WeakPolarHBondContact CA-OD1 3.39Å
346	S	71.9	Confident	83.1	Confident	29 Å²	29	43 Å²	43	20%	0.203	24%	0.236	C	C	.	.	S	Bend	trans	-83.9	1.8	179.4	79.7	0	0	0	0	114.5	D354 K375	S346-D354 VanDerWaalsContact CB-OD2 3.27Å; S346-D354 WeakPolarHBondContact CB-OD2 3.36Å; S346-D354 PolarHBondContact N-OD1 3.02Å; S346-D354 PolarHBondContact N-OD2 2.96Å; S346-D354 PolarHBondContact OG-OD2 3.29Å; S346-K375 WeakPolarHBondContact CB-O 3.45Å
347	G	61.2	Low	83.1	Confident	46 Å²	46	43.1 Å²	43.1	47%	0.474	24%	0.237	S	C	.	.	S	Bend	trans	-156	-173.4	-177.7	0	0	0	0	0	114	T345 E349	T345-G347 VanDerWaalsContact C-N 3.3Å; T345-G347 PolarHBondContact O-N 2.79Å; G347-E349 PolarHBondContact O-N 3.41Å
348	S	50	Low	83.1	Confident	121 Å²	121	43.1 Å²	43.1	85%	0.846	24%	0.237	S	C	*	.	S	Bend	trans	-73.6	-6.2	-176.8	52.2	0	0	0	0	114.8	V350	S348-V350 PolarHBondContact O-N 3.39Å
349	E	52.9	Low	83.1	Confident	128 Å²	128	43.1 Å²	43.1	60%	0.598	24%	0.237	S	C	*	.			trans	-83.4	96.5	173.9	-71	-179.4	177.3	0	0	109.5	T345 G347 Q351 R352	T345-E349 WeakPolarHBondContact CG2-O 3.39Å; G347-E349 PolarHBondContact O-N 3.41Å; E349-Q351 PolarHBondContact O-N 3.33Å; E349-R352 IonicContact OE2-NH1 3.62Å
350	V	54.9	Low	83.1	Confident	102 Å²	102	42.5 Å²	42.5	62%	0.618	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-1.9	-170.1	178.9	0	0	0	0	114.8	S348	S348-V350 PolarHBondContact O-N 3.39Å
351	Q	55.8	Low	83.1	Confident	171 Å²	171	41.7 Å²	41.7	80%	0.799	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126	5	-167.8	-67.6	-171.4	-13.2	0	0	116.1	E349	E349-Q351 PolarHBondContact O-N 3.33Å
352	R	68.1	Low	83.1	Confident	159 Å²	159	42 Å²	42	60%	0.6	23%	0.233	S	C	*	.			trans	-82.1	-26.8	-175	-144.7	173.2	-177.1	146.3	-3.8	114.1	E349 D354	E349-R352 IonicContact OE2-NH1 3.62Å; R352-D354 VanDerWaalsContact C-N 3.33Å; R352-D354 PolarHBondContact O-N 2.66Å
353	G	76.1	Confident	83.1	Confident	7 Å²	7	41.2 Å²	41.2	7%	0.072	23%	0.228	C	C	.	.			trans	47.4	51.9	-177.1	0	0	0	0	0	113.2	G344	G344-G353 CarbonylContact O-C 3.54Å; G344-G353 VanDerWaalsContact O-CA 3.28Å; G344-G353 WeakPolarHBondContact O-CA 3.33Å
354	D	89.4	Confident	83.1	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.064	23%	0.225	C	C	.	.			trans	-87.4	-7.4	-173.6	59	-2.5	0	0	0	113.5	G344 T345 S346 R352 L371 D372	G344-D354 PolarHBondContact O-N 3.49Å; G344-D354 VanDerWaalsContact O-N 3.15Å; T345-D354 WeakPolarHBondContact CA-OD1 3.39Å; S346-D354 VanDerWaalsContact CB-OD2 3.27Å; S346-D354 WeakPolarHBondContact CB-OD2 3.36Å; S346-D354 PolarHBondContact N-OD1 3.02Å; S346-D354 PolarHBondContact N-OD2 2.96Å; S346-D354 PolarHBondContact OG-OD2 3.29Å; R352-D354 VanDerWaalsContact C-N 3.33Å; R352-D354 PolarHBondContact O-N 2.66Å; D354-L371 WeakPolarHBondContact O-CA 3.45Å; D354-L371 WeakPolarHBondContact O-CB 3.39Å; D354-L371 PolarHBondContact O-N 2.71Å; D354-D372 HydrophobicContact CB-CB 4.19Å; D354-D372 PolarHBondContact O-N 3Å
355	I	96	Very high	83.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.7	175.4	-57.9	164.5	0	0	0	108.8	F343 G344 W357 A368 L370 L376	F343-I355 CarbonylContact C-O 3.6Å; G344-I355 PolarHBondContact N-O 2.85Å; G344-I355 PolarHBondContact O-N 2.98Å; G344-I355 VanDerWaalsContact O-N 3.1Å; I355-W357 HydrophobicContact CD1-CZ2 4.36Å; I355-W357 HydrophobicContact CG2-CD2 4.12Å; I355-W357 HydrophobicContact CG2-CE3 4.45Å; I355-W357 HydrophobicContact CG2-CZ2 4.23Å; I355-A368 HydrophobicContact CG2-CB 4.01Å; I355-L370 HydrophobicContact CG1-CD1 3.94Å; I355-L376 HydrophobicContact CD1-CD2 3.52Å; I355-L376 HydrophobicContact CG1-CD2 4.14Å; I355-L376 HydrophobicContact CG2-CD2 4.23Å
356	L	98.6	Very high	83.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.2	163.3	-170.4	74	0	0	0	109	Y292 I301 V341 A368 L369 L371	Y292-L356 HydrophobicContact CD1-CD2 3.89Å; Y292-L356 HydrophobicContact CD2-CD1 3.98Å; Y292-L356 HydrophobicContact CD2-CD2 4.28Å; Y292-L356 HydrophobicContact CG-CD1 4.05Å; Y292-L356 HydrophobicContact CG-CD2 3.67Å; Y292-L356 HydrophobicContact CG-CG 4.48Å; I301-L356 HydrophobicContact CG2-CD2 3.77Å; V341-L356 HydrophobicContact CB-CD1 4.06Å; V341-L356 HydrophobicContact CB-CD2 4.38Å; V341-L356 HydrophobicContact CB-CG 4.22Å; V341-L356 HydrophobicContact CG1-CD2 4.18Å; V341-L356 HydrophobicContact CG1-CG 4.38Å; L356-A368 WeakPolarHBondContact O-CA 3.48Å; L356-L369 HydrophobicContact CB-CB 4.29Å; L356-L369 HydrophobicContact CD2-CD2 4.41Å; L356-L369 PolarHBondContact N-O 3.44Å; L356-L369 PolarHBondContact O-N 3.06Å; L356-L371 HydrophobicContact CB-CD1 4.2Å; L356-L371 HydrophobicContact CB-CD2 4.08Å; L356-L371 HydrophobicContact CB-CG 4.14Å
357	W	98.8	Very high	85.2	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.8	171.6	-63	109.8	0	0	0	109.8	V341 V342 I355 I366 A368 L376 F390 L415 L426 L441	V341-W357 VanDerWaalsContact CA-O 3.22Å; V341-W357 WeakPolarHBondContact CA-O 3.41Å; V342-W357 HydrophobicContact CG2-CB 3.89Å; V342-W357 HydrophobicContact CG2-CG 4.47Å; V342-W357 PolarHBondContact N-O 2.94Å; V342-W357 PolarHBondContact O-N 3.11Å; I355-W357 HydrophobicContact CD1-CZ2 4.36Å; I355-W357 HydrophobicContact CG2-CD2 4.12Å; I355-W357 HydrophobicContact CG2-CE3 4.45Å; I355-W357 HydrophobicContact CG2-CZ2 4.23Å; W357-I366 HydrophobicContact CE3-CG2 4.39Å; W357-A368 HydrophobicContact CE3-CB 3.96Å; W357-A368 HydrophobicContact CZ3-CB 3.83Å; W357-L376 HydrophobicContact CH2-CD2 3.93Å; W357-L376 HydrophobicContact CZ3-CD2 4.43Å; W357-F390 HydrophobicContact CE3-CD1 4.31Å; W357-F390 AromaticContact CH2-CD1 3.8Å; W357-F390 HydrophobicContact CH2-CD1 3.8Å; W357-F390 HydrophobicContact CH2-CD2 4.27Å; W357-F390 AromaticContact CH2-CE1 3.85Å; W357-F390 HydrophobicContact CH2-CE1 3.85Å; W357-F390 HydrophobicContact CH2-CE2 4.35Å; W357-F390 HydrophobicContact CH2-CG 4.01Å; W357-F390 HydrophobicContact CH2-CZ 4.14Å; W357-F390 HydrophobicContact CZ3-CB 3.82Å; W357-F390 AromaticContact CZ3-CD1 3.38Å; W357-F390 HydrophobicContact CZ3-CD1 3.38Å; W357-F390 HydrophobicContact CZ3-CD2 4.18Å; W357-F390 AromaticContact CZ3-CE1 3.91Å; W357-F390 HydrophobicContact CZ3-CE1 3.91Å; W357-F390 AromaticContact CZ3-CG 3.53Å; W357-F390 HydrophobicContact CZ3-CG 3.53Å; W357-L415 HydrophobicContact CB-CD1 4.03Å; W357-L426 HydrophobicContact CB-CD2 4.2Å; W357-L426 HydrophobicContact CD2-CD2 4.38Å; W357-L426 HydrophobicContact CG-CD1 4.43Å; W357-L426 HydrophobicContact CG-CD2 4.19Å; W357-L441 HydrophobicContact CZ2-CD2 3.97Å
358	I	98.9	Very high	87	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.4	-174.8	-51.1	163.9	0	0	0	108.7	I301 P338 D340 V341 M360 I366 W367 L369	I301-I358 HydrophobicContact CD1-CD1 4.09Å; I301-I358 HydrophobicContact CD1-CG1 4.34Å; I301-I358 HydrophobicContact CD1-CG2 4.09Å; I301-I358 HydrophobicContact CG1-CD1 3.92Å; P338-I358 HydrophobicContact CB-CG2 3.72Å; D340-I358 WeakPolarHBondContact O-CA 3.32Å; V341-I358 HydrophobicContact CG1-CB 4.44Å; V341-I358 HydrophobicContact CG1-CG1 4.07Å; V341-I358 HydrophobicContact CG1-CG2 4.27Å; I358-M360 HydrophobicContact CB-CE 4.37Å; I358-M360 HydrophobicContact CG2-CE 3.65Å; I358-M360 PolarHBondContact O-N 3.2Å; I358-I366 WeakPolarHBondContact O-CA 3.39Å; I358-W367 HydrophobicContact CB-CB 4.1Å; I358-W367 PolarHBondContact N-O 3.29Å; I358-W367 PolarHBondContact O-N 3.13Å; I358-L369 HydrophobicContact CD1-CB 4.05Å
359	A	98.9	Very high	89.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	108.6	166.1	0	0	0	0	0	108.4	W339 D340 A361 I366 P412 L415	W339-A359 PolarHBondContact N-O 3.48Å; D340-A359 HydrophobicContact CB-CB 4.15Å; D340-A359 PolarHBondContact O-N 2.79Å; A359-A361 PolarHBondContact O-N 2.76Å; A359-I366 HydrophobicContact CB-CD1 4.19Å; A359-P412 HydrophobicContact CB-CB 4.25Å; A359-P412 WeakPolarHBondContact CB-O 3.35Å; A359-L415 HydrophobicContact CB-CD1 3.93Å; A359-L415 HydrophobicContact CB-CD2 4.11Å; A359-L415 HydrophobicContact CB-CG 3.74Å
360	M	98.9	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	88.3	-176.4	-158.8	65.7	65.9	0	0	108.8	I335 S336 P338 I358 G362 T363 H364 Q365 W367	I335-M360 HydrophobicContact CB-CE 3.73Å; I335-M360 HydrophobicContact CB-SD 3.87Å; I335-M360 HydrophobicContact CD1-CE 4.42Å; I335-M360 HydrophobicContact CG2-CE 3.91Å; S336-M360 PolarHBondContact N-SD 3.28Å; S336-M360 VanDerWaalsContact N-SD 3.41Å; S336-M360 WeakPolarHBondContact O-CG 3.23Å; P338-M360 HydrophobicContact CB-CE 4.4Å; P338-M360 HydrophobicContact CB-SD 4.08Å; I358-M360 HydrophobicContact CB-CE 4.37Å; I358-M360 HydrophobicContact CG2-CE 3.65Å; I358-M360 PolarHBondContact O-N 3.2Å; M360-G362 PolarHBondContact O-N 2.72Å; M360-T363 WeakPolarHBondContact CG-OG1 3.28Å; M360-H364 PolarHBondContact O-N 3.05Å; M360-H364 VanDerWaalsContact O-N 3.12Å; M360-Q365 WeakPolarHBondContact CA-O 3.48Å; M360-Q365 HydrophobicContact CB-CB 4.44Å; M360-Q365 VanDerWaalsContact CB-O 3.28Å; M360-Q365 WeakPolarHBondContact CB-O 3.23Å; M360-Q365 PolarHBondContact N-O 2.87Å; M360-Q365 PolarHBondContact O-N 2.8Å; M360-W367 HydrophobicContact CB-CG 4.06Å; M360-W367 HydrophobicContact CE-CB 3.88Å; M360-W367 HydrophobicContact CE-CD2 3.93Å; M360-W367 HydrophobicContact CE-CE3 4.31Å; M360-W367 HydrophobicContact CE-CG 3.74Å; M360-W367 HydrophobicContact CG-CG 4.33Å
361	A	98.8	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-62.4	-44.2	-173.7	0	0	0	0	0	111.6	S337 W339 A359 T363 H364 Q411	S337-A361 WeakPolarHBondContact O-CB 3.44Å; S337-A361 PolarHBondContact O-N 2.96Å; W339-A361 HydrophobicContact CB-CB 3.98Å; W339-A361 HydrophobicContact CD2-CB 4.07Å; W339-A361 HydrophobicContact CE3-CB 3.48Å; W339-A361 VanDerWaalsContact CE3-CB 3.48Å; W339-A361 HydrophobicContact CG-CB 4.34Å; W339-A361 HydrophobicContact CZ3-CB 4.26Å; A359-A361 PolarHBondContact O-N 2.76Å; A361-T363 VanDerWaalsContact C-N 3.31Å; A361-T363 PolarHBondContact O-N 2.83Å; A361-H364 PolarHBondContact O-N 2.98Å; A361-H364 VanDerWaalsContact O-N 3.14Å; A361-H364 PolarHBondContact O-ND1 3.38Å; A361-H364 VanDerWaalsContact O-ND1 3.17Å; A361-Q411 HydrophobicContact CB-CG 3.94Å
362	G	98.1	Very high	95.2	Very high	6 Å²	6	14.4 Å²	14.4	6%	0.062	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-69.2	-21.3	-172.1	0	0	0	0	0	115.3	S336 M360	S336-G362 WeakPolarHBondContact O-CA 3.37Å; S336-G362 PolarHBondContact O-N 3.33Å; S336-G362 VanDerWaalsContact O-N 3.11Å; M360-G362 PolarHBondContact O-N 2.72Å
363	T	98.6	Very high	96.3	Very high	9 Å²	9	10 Å²	10	6%	0.055	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-114.6	8.9	171.8	50.8	0	0	0	0	113	M360 A361 Q365 G394	M360-T363 WeakPolarHBondContact CG-OG1 3.28Å; A361-T363 VanDerWaalsContact C-N 3.31Å; A361-T363 PolarHBondContact O-N 2.83Å; T363-Q365 WeakPolarHBondContact O-CG 3.41Å; T363-Q365 PolarHBondContact O-N 2.83Å; T363-Q365 PolarHBondContact OG1-OE1 2.7Å; T363-G394 VanDerWaalsContact O-CA 3.29Å; T363-G394 WeakPolarHBondContact O-CA 3.35Å
364	H	98.8	Very high	97	Very high	13 Å²	13	10.1 Å²	10.1	6%	0.06	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	53.3	179.3	-36.3	-62.4	0	0	0	113.4	M360 A361 E396 F409 Q411	M360-H364 PolarHBondContact O-N 3.05Å; M360-H364 VanDerWaalsContact O-N 3.12Å; A361-H364 PolarHBondContact O-N 2.98Å; A361-H364 VanDerWaalsContact O-N 3.14Å; A361-H364 PolarHBondContact O-ND1 3.38Å; A361-H364 VanDerWaalsContact O-ND1 3.17Å; H364-E396 IonicContact CE1-OE2 3.4Å; H364-E396 IonicContact NE2-OE2 2.89Å; H364-F409 HydrophobicContact CB-CB 4.49Å; H364-F409 WeakPolarHBondContact CB-O 3.35Å; H364-F409 WeakPolarHBondContact O-CB 3.43Å; H364-Q411 PolarHBondContact ND1-N 3.4Å
365	Q	98.9	Very high	97	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160	-172.2	-76.2	172.2	-18.9	0	0	112.3	K324 M360 T363 R389 G392 S393	K324-Q365 PolarHBondContact O-NE2 3.35Å; M360-Q365 WeakPolarHBondContact CA-O 3.48Å; M360-Q365 HydrophobicContact CB-CB 4.44Å; M360-Q365 VanDerWaalsContact CB-O 3.28Å; M360-Q365 WeakPolarHBondContact CB-O 3.23Å; M360-Q365 PolarHBondContact N-O 2.87Å; M360-Q365 PolarHBondContact O-N 2.8Å; T363-Q365 WeakPolarHBondContact O-CG 3.41Å; T363-Q365 PolarHBondContact O-N 2.83Å; T363-Q365 PolarHBondContact OG1-OE1 2.7Å; Q365-R389 HydrophobicContact CB-CG 4.46Å; Q365-R389 HydrophobicContact CG-CG 4.22Å; Q365-R389 VanDerWaalsContact NE2-NH1 3.13Å; Q365-G392 PolarHBondContact NE2-O 2.87Å; Q365-S393 PolarHBondContact NE2-O 3.09Å
366	I	98.9	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.2	164.8	-56.8	-49.3	0	0	0	108.8	W357 I358 A359 F390 A391 F409 P412 L415 L426 V428 I439	W357-I366 HydrophobicContact CE3-CG2 4.39Å; I358-I366 WeakPolarHBondContact O-CA 3.39Å; A359-I366 HydrophobicContact CB-CD1 4.19Å; I366-F390 WeakPolarHBondContact O-CA 3.49Å; I366-F390 PolarHBondContact O-N 3.43Å; I366-A391 HydrophobicContact CB-CB 4.48Å; I366-A391 PolarHBondContact N-O 3.21Å; I366-A391 PolarHBondContact O-N 2.74Å; I366-F409 HydrophobicContact CG1-CE1 4.32Å; I366-F409 HydrophobicContact CG1-CE2 4.28Å; I366-F409 HydrophobicContact CG1-CZ 4.1Å; I366-P412 HydrophobicContact CD1-CB 3.76Å; I366-P412 HydrophobicContact CD1-CG 3.98Å; I366-L415 HydrophobicContact CD1-CD2 3.98Å; I366-L426 HydrophobicContact CG2-CD2 4.02Å; I366-V428 HydrophobicContact CD1-CG1 4.06Å; I366-V428 HydrophobicContact CD1-CG2 4.38Å; I366-V428 HydrophobicContact CG1-CG2 4.39Å; I366-I439 HydrophobicContact CB-CD1 3.98Å; I366-I439 HydrophobicContact CG1-CD1 3.47Å; I366-I439 VanDerWaalsContact CG1-CD1 3.47Å; I366-I439 HydrophobicContact CG2-CD1 4.23Å
367	W	98.9	Very high	96.4	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	162.8	-177.8	-77.1	57.9	0	0	0	110.9	D323 Q333 I335 I358 M360 L388 R389	D323-W367 WeakPolarHBondContact O-CZ2 3.5Å; Q333-W367 HydrophobicContact CG-CZ3 3.81Å; I335-W367 HydrophobicContact CG2-CE3 4.28Å; I335-W367 HydrophobicContact CG2-CZ3 4.12Å; I358-W367 HydrophobicContact CB-CB 4.1Å; I358-W367 PolarHBondContact N-O 3.29Å; I358-W367 PolarHBondContact O-N 3.13Å; M360-W367 HydrophobicContact CB-CG 4.06Å; M360-W367 HydrophobicContact CE-CB 3.88Å; M360-W367 HydrophobicContact CE-CD2 3.93Å; M360-W367 HydrophobicContact CE-CE3 4.31Å; M360-W367 HydrophobicContact CE-CG 3.74Å; M360-W367 HydrophobicContact CG-CG 4.33Å; W367-L388 WeakPolarHBondContact CA-O 3.43Å; W367-L388 VanDerWaalsContact CE3-C 3.47Å; W367-R389 HydrophobicContact CD2-CB 4.44Å; W367-R389 HydrophobicContact CZ2-CB 4.37Å
368	A	98.6	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.7	173.2	0	0	0	0	0	110	I355 L356 W357 L376 C387 L388	I355-A368 HydrophobicContact CG2-CB 4.01Å; L356-A368 WeakPolarHBondContact O-CA 3.48Å; W357-A368 HydrophobicContact CE3-CB 3.96Å; W357-A368 HydrophobicContact CZ3-CB 3.83Å; A368-L376 HydrophobicContact CB-CD1 3.71Å; A368-L376 HydrophobicContact CB-CD2 4.15Å; A368-C387 WeakPolarHBondContact O-CA 3.01Å; A368-L388 HydrophobicContact CB-CD2 4.46Å; A368-L388 PolarHBondContact N-O 3.3Å; A368-L388 PolarHBondContact O-N 3.4Å
369	L	98.6	Very high	95.1	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.5	164.3	173.7	67.6	0	0	0	108.5	I301 V314 A315 L356 I358 L371 C387	I301-L369 HydrophobicContact CG2-CD2 4.46Å; V314-L369 HydrophobicContact CB-CD2 4.25Å; V314-L369 HydrophobicContact CG2-CD2 3.73Å; A315-L369 HydrophobicContact CB-CD1 4.34Å; A315-L369 HydrophobicContact CB-CD2 4.28Å; L356-L369 HydrophobicContact CB-CB 4.29Å; L356-L369 HydrophobicContact CD2-CD2 4.41Å; L356-L369 PolarHBondContact N-O 3.44Å; L356-L369 PolarHBondContact O-N 3.06Å; I358-L369 HydrophobicContact CD1-CB 4.05Å; L369-L371 HydrophobicContact CD2-CD2 3.97Å; L369-L371 HydrophobicContact CG-CD2 4.11Å; L369-L371 PolarHBondContact O-N 3.49Å; L369-C387 HydrophobicContact CD1-CB 3.92Å
370	L	97.8	Very high	94.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	104.2	178.8	-76.7	-56	0	0	0	109	I355 D372 L376 L382 G385 T386 L388	I355-L370 HydrophobicContact CG1-CD1 3.94Å; L370-D372 VanDerWaalsContact C-N 3.32Å; L370-L376 HydrophobicContact CD1-CD2 4.25Å; L370-L376 HydrophobicContact CD2-CD1 4.39Å; L370-L382 HydrophobicContact CD2-CB 4.27Å; L370-L382 HydrophobicContact CD2-CD1 3.85Å; L370-L382 HydrophobicContact CG-CB 4.03Å; L370-L382 HydrophobicContact CG-CD1 4.42Å; L370-G385 WeakPolarHBondContact O-CA 3.44Å; L370-G385 PolarHBondContact O-N 3.4Å; L370-T386 WeakPolarHBondContact CD2-O 3.34Å; L370-T386 PolarHBondContact N-O 3.19Å; L370-L388 HydrophobicContact CD2-CD2 3.75Å
371	L	96.4	Very high	94.4	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.11	20%	0.202	C	C	.	.	S	Bend	trans	-72.7	-31	179.1	-56.8	-174.7	0	0	0	111.5	Y292 F343 D354 L356 L369 K384	Y292-L371 HydrophobicContact CD2-CD1 4.31Å; Y292-L371 HydrophobicContact CE1-CD2 3.94Å; Y292-L371 HydrophobicContact CE2-CD1 3.53Å; Y292-L371 HydrophobicContact CE2-CD2 4.02Å; Y292-L371 HydrophobicContact CE2-CG 4.44Å; Y292-L371 WeakPolarHBondContact OH-CD2 3.41Å; F343-L371 HydrophobicContact CD1-CD1 3.96Å; F343-L371 HydrophobicContact CE1-CD1 3.63Å; D354-L371 WeakPolarHBondContact O-CA 3.45Å; D354-L371 WeakPolarHBondContact O-CB 3.39Å; D354-L371 PolarHBondContact O-N 2.71Å; L356-L371 HydrophobicContact CB-CD1 4.2Å; L356-L371 HydrophobicContact CB-CD2 4.08Å; L356-L371 HydrophobicContact CB-CG 4.14Å; L369-L371 HydrophobicContact CD2-CD2 3.97Å; L369-L371 HydrophobicContact CG-CD2 4.11Å; L369-L371 PolarHBondContact O-N 3.49Å; L371-K384 WeakPolarHBondContact O-CD 3.31Å; L371-K384 WeakPolarHBondContact O-CE 3.4Å; L371-K384 WeakPolarHBondContact O-CG 3.48Å; L371-K384 PolarHBondContact O-NZ 3.48Å; L371-K384 VanDerWaalsContact O-NZ 3.1Å
372	D	93.6	Very high	94.2	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	21%	0.211	S	C	.	.	S	Bend	trans	-130.8	165.3	163.7	-73.2	-43.2	0	0	0	110.4	D354 L370 G374 K384	D354-D372 HydrophobicContact CB-CB 4.19Å; D354-D372 PolarHBondContact O-N 3Å; L370-D372 VanDerWaalsContact C-N 3.32Å; D372-G374 PolarHBondContact O-N 3.04Å; D372-K384 IonicContact OD1-NZ 3.4Å; D372-K384 PolarHBondContact OD1-NZ 3.42Å
373	S	91.9	Very high	94.1	Very high	67 Å²	67	44.4 Å²	44.4	47%	0.469	23%	0.228	S	C	.	.	S	Bend	trans	-62.6	134.9	175.7	-60.3	0	0	0	0	110	L382 K384	S373-L382 VanDerWaalsContact CA-O 3.3Å; S373-L382 WeakPolarHBondContact CA-O 3.19Å; S373-K384 PolarHBondContact OG-N 3.09Å
374	G	90.1	Very high	94	Very high	8 Å²	8	49.5 Å²	49.5	8%	0.082	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-172.1	-174.1	0	0	0	0	0	111.8	D372 L382	D372-G374 PolarHBondContact O-N 3.04Å; G374-L382 PolarHBondContact N-O 3.34Å; G374-L382 PolarHBondContact O-N 3.23Å
375	K	90.1	Very high	94	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.6	-179.2	64.5	-175.8	179.6	-176.8	0	111.2	S346	S346-K375 WeakPolarHBondContact CB-O 3.45Å
376	L	92.1	Very high	93.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	26%	0.26	C	S	.	.			trans	-93.7	154.8	169	-58.6	-179.9	0	0	0	109.9	I355 W357 A368 L370 K378 K379 L382 L388 F390	I355-L376 HydrophobicContact CD1-CD2 3.52Å; I355-L376 HydrophobicContact CG1-CD2 4.14Å; I355-L376 HydrophobicContact CG2-CD2 4.23Å; W357-L376 HydrophobicContact CH2-CD2 3.93Å; W357-L376 HydrophobicContact CZ3-CD2 4.43Å; A368-L376 HydrophobicContact CB-CD1 3.71Å; A368-L376 HydrophobicContact CB-CD2 4.15Å; L370-L376 HydrophobicContact CD1-CD2 4.25Å; L370-L376 HydrophobicContact CD2-CD1 4.39Å; L376-K378 PolarHBondContact O-N 3.1Å; L376-K379 HydrophobicContact CB-CB 4.26Å; L376-K379 HydrophobicContact CB-CD 4.48Å; L376-K379 HydrophobicContact CB-CG 4.4Å; L376-K379 PolarHBondContact O-N 2.81Å; L376-L382 HydrophobicContact CD1-CD1 4.01Å; L376-L382 HydrophobicContact CG-CD1 4.09Å; L376-L388 HydrophobicContact CD1-CD2 3.81Å; L376-L388 HydrophobicContact CD1-CG 4.49Å; L376-F390 HydrophobicContact CB-CD2 4.18Å; L376-F390 HydrophobicContact CB-CE2 4.27Å; L376-F390 HydrophobicContact CD1-CD2 4.24Å
377	P	88.8	Confident	93.9	Very high	25 Å²	25	50.3 Å²	50.3	16%	0.162	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.5	175.1	-29	36.5	0	0	0	112.3	K379 F390 L441	P377-K379 PolarHBondContact O-N 3.36Å; P377-F390 HydrophobicContact CB-CE2 3.96Å; P377-F390 HydrophobicContact CB-CZ 3.96Å; P377-F390 HydrophobicContact CG-CE2 4.03Å; P377-F390 HydrophobicContact CG-CZ 3.86Å; P377-L441 WeakPolarHBondContact CG-O 3.28Å
378	K	84.5	Confident	93.9	Very high	124 Å²	124	50.8 Å²	50.8	54%	0.539	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	19.6	-175.9	-60.6	-178.8	174.3	151.1	0	115.4	L376 A402 D443	L376-K378 PolarHBondContact O-N 3.1Å; K378-A402 PolarHBondContact NZ-O 3.18Å; K378-D443 WeakPolarHBondContact CD-O 3.36Å; K378-D443 WeakPolarHBondContact CE-O 3.18Å; K378-D443 PolarHBondContact NZ-O 3.39Å
379	K	86.8	Confident	93.9	Very high	54 Å²	54	51.8 Å²	51.8	24%	0.235	27%	0.266	C	S	.	.	S	Bend	trans	-121.1	158	172	-61.7	-158.6	179.6	-160.4	0	111.8	L376 P377 L388 R389	L376-K379 HydrophobicContact CB-CB 4.26Å; L376-K379 HydrophobicContact CB-CD 4.48Å; L376-K379 HydrophobicContact CB-CG 4.4Å; L376-K379 PolarHBondContact O-N 2.81Å; P377-K379 PolarHBondContact O-N 3.36Å; K379-L388 HydrophobicContact CD-CD1 4.06Å; K379-R389 PolarHBondContact NZ-O 2.81Å
380	N	90.5	Very high	93.9	Very high	144 Å²	144	51.7 Å²	51.7	77%	0.77	27%	0.266	S	S	*	.			trans	-67.4	171.1	169.9	-69.9	-19.7	0	0	0	110.6	L382	N380-L382 PolarHBondContact O-N 2.91Å
381	E	92.3	Very high	94	Very high	157 Å²	157	51.7 Å²	51.7	73%	0.734	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.3	172	-168.8	170.3	-176.6	0	0	110.8
382	L	94.6	Very high	94.1	Very high	33 Å²	33	50.7 Å²	50.7	17%	0.173	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.6	-177.6	-63.4	171.5	0	0	0	108.6	L370 S373 G374 L376 N380 T386 L388	L370-L382 HydrophobicContact CD2-CB 4.27Å; L370-L382 HydrophobicContact CD2-CD1 3.85Å; L370-L382 HydrophobicContact CG-CB 4.03Å; L370-L382 HydrophobicContact CG-CD1 4.42Å; S373-L382 VanDerWaalsContact CA-O 3.3Å; S373-L382 WeakPolarHBondContact CA-O 3.19Å; G374-L382 PolarHBondContact N-O 3.34Å; G374-L382 PolarHBondContact O-N 3.23Å; L376-L382 HydrophobicContact CD1-CD1 4.01Å; L376-L382 HydrophobicContact CG-CD1 4.09Å; N380-L382 PolarHBondContact O-N 2.91Å; L382-T386 HydrophobicContact CD2-CG2 4.4Å; L382-L388 HydrophobicContact CD1-CD1 3.75Å; L382-L388 HydrophobicContact CD1-CD2 3.89Å; L382-L388 HydrophobicContact CD1-CG 4.49Å; L382-L388 HydrophobicContact CD2-CD1 4.34Å
383	T	96.4	Very high	94.3	Very high	70 Å²	70	49 Å²	49	43%	0.429	25%	0.254	S	S	.	.			trans	-77.1	153.2	-180	58.8	0	0	0	0	111.7	K329 G385 T386	K329-T383 WeakPolarHBondContact CE-OG1 3.41Å; T383-G385 PolarHBondContact O-N 3.23Å; T383-T386 WeakPolarHBondContact O-CB 3.35Å; T383-T386 PolarHBondContact O-N 2.86Å; T383-T386 VanDerWaalsContact O-N 3.12Å; T383-T386 PolarHBondContact O-OG1 2.94Å; T383-T386 PolarHBondContact OG1-OG1 2.92Å
384	K	96.8	Very high	94.6	Very high	117 Å²	117	46 Å²	46	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	135.2	167.9	179.9	168.6	-173.1	137.5	0	112.4	L371 D372 S373 T386	L371-K384 WeakPolarHBondContact O-CD 3.31Å; L371-K384 WeakPolarHBondContact O-CE 3.4Å; L371-K384 WeakPolarHBondContact O-CG 3.48Å; L371-K384 PolarHBondContact O-NZ 3.48Å; L371-K384 VanDerWaalsContact O-NZ 3.1Å; D372-K384 IonicContact OD1-NZ 3.4Å; D372-K384 PolarHBondContact OD1-NZ 3.42Å; S373-K384 PolarHBondContact OG-N 3.09Å; K384-T386 VanDerWaalsContact C-N 3.3Å
385	G	97.1	Very high	95	Very high	21 Å²	21	49.8 Å²	49.8	22%	0.216	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-7.3	179.8	0	0	0	0	0	114.4	K329 G330 L370 T383 C387	K329-G385 CarbonylContact C-O 3.38Å; K329-G385 WeakPolarHBondContact CA-O 3.33Å; G330-G385 PolarHBondContact N-O 3Å; L370-G385 WeakPolarHBondContact O-CA 3.44Å; L370-G385 PolarHBondContact O-N 3.4Å; T383-G385 PolarHBondContact O-N 3.23Å; G385-C387 PolarHBondContact O-N 3.2Å
386	T	98.5	Very high	95.4	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.2	175.6	-63.9	0	0	0	0	110.2	L370 L382 T383 K384 L388	L370-T386 WeakPolarHBondContact CD2-O 3.34Å; L370-T386 PolarHBondContact N-O 3.19Å; L382-T386 HydrophobicContact CD2-CG2 4.4Å; T383-T386 WeakPolarHBondContact O-CB 3.35Å; T383-T386 PolarHBondContact O-N 2.86Å; T383-T386 VanDerWaalsContact O-N 3.12Å; T383-T386 PolarHBondContact O-OG1 2.94Å; T383-T386 PolarHBondContact OG1-OG1 2.92Å; K384-T386 VanDerWaalsContact C-N 3.3Å; T386-L388 HydrophobicContact CG2-CD2 4.2Å
387	C	98.8	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.1	177.6	-173.4	0	0	0	0	109	A315 G327 A328 Q333 A368 L369 G385	A315-C387 HydrophobicContact CB-CB 4.49Å; G327-C387 PolarHBondContact N-O 3.2Å; A328-C387 PolarHBondContact O-N 2.99Å; Q333-C387 HydrophobicContact CB-CB 4.04Å; Q333-C387 HydrophobicContact CG-CB 3.91Å; Q333-C387 PolarHBondContact OE1-O 2.91Å; A368-C387 WeakPolarHBondContact O-CA 3.01Å; L369-C387 HydrophobicContact CD1-CB 3.92Å; G385-C387 PolarHBondContact O-N 3.2Å
388	L	98.8	Very high	96.2	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	161.4	-172.9	77.8	176.5	0	0	0	113.7	W367 A368 L370 L376 K379 L382 T386 F390	W367-L388 WeakPolarHBondContact CA-O 3.43Å; W367-L388 VanDerWaalsContact CE3-C 3.47Å; A368-L388 HydrophobicContact CB-CD2 4.46Å; A368-L388 PolarHBondContact N-O 3.3Å; A368-L388 PolarHBondContact O-N 3.4Å; L370-L388 HydrophobicContact CD2-CD2 3.75Å; L376-L388 HydrophobicContact CD1-CD2 3.81Å; L376-L388 HydrophobicContact CD1-CG 4.49Å; K379-L388 HydrophobicContact CD-CD1 4.06Å; L382-L388 HydrophobicContact CD1-CD1 3.75Å; L382-L388 HydrophobicContact CD1-CD2 3.89Å; L382-L388 HydrophobicContact CD1-CG 4.49Å; L382-L388 HydrophobicContact CD2-CD1 4.34Å; T386-L388 HydrophobicContact CG2-CD2 4.2Å; L388-F390 PolarHBondContact O-N 2.96Å
389	R	98.8	Very high	96.9	Very high	21 Å²	21	43.2 Å²	43.2	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130	171	176.1	-102.3	-57.1	-85.4	-2.6	111.1	K324 E325 Q365 W367 K379 G392 S393	K324-R389 PolarHBondContact O-NE 3.15Å; K324-R389 PolarHBondContact O-NH1 3.02Å; K324-R389 VanDerWaalsContact O-NH1 3.07Å; K324-R389 PolarHBondContact O-NH2 3.48Å; E325-R389 WeakPolarHBondContact O-CB 3.26Å; E325-R389 PolarHBondContact O-N 2.8Å; E325-R389 IonicContact OE1-NH2 2.66Å; Q365-R389 HydrophobicContact CB-CG 4.46Å; Q365-R389 HydrophobicContact CG-CG 4.22Å; Q365-R389 VanDerWaalsContact NE2-NH1 3.13Å; W367-R389 HydrophobicContact CD2-CB 4.44Å; W367-R389 HydrophobicContact CZ2-CB 4.37Å; K379-R389 PolarHBondContact NZ-O 2.81Å; R389-G392 WeakPolarHBondContact CD-O 3.49Å; R389-G392 PolarHBondContact NH1-O 3.5Å; R389-S393 PolarHBondContact NH1-O 3.27Å
390	F	98.6	Very high	97.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-50.6	170.9	177.3	-120.4	0	0	0	111.6	W357 I366 L376 P377 L388 P404 H405 I439	W357-F390 HydrophobicContact CE3-CD1 4.31Å; W357-F390 AromaticContact CH2-CD1 3.8Å; W357-F390 HydrophobicContact CH2-CD1 3.8Å; W357-F390 HydrophobicContact CH2-CD2 4.27Å; W357-F390 AromaticContact CH2-CE1 3.85Å; W357-F390 HydrophobicContact CH2-CE1 3.85Å; W357-F390 HydrophobicContact CH2-CE2 4.35Å; W357-F390 HydrophobicContact CH2-CG 4.01Å; W357-F390 HydrophobicContact CH2-CZ 4.14Å; W357-F390 HydrophobicContact CZ3-CB 3.82Å; W357-F390 AromaticContact CZ3-CD1 3.38Å; W357-F390 HydrophobicContact CZ3-CD1 3.38Å; W357-F390 HydrophobicContact CZ3-CD2 4.18Å; W357-F390 AromaticContact CZ3-CE1 3.91Å; W357-F390 HydrophobicContact CZ3-CE1 3.91Å; W357-F390 AromaticContact CZ3-CG 3.53Å; W357-F390 HydrophobicContact CZ3-CG 3.53Å; I366-F390 WeakPolarHBondContact O-CA 3.49Å; I366-F390 PolarHBondContact O-N 3.43Å; L376-F390 HydrophobicContact CB-CD2 4.18Å; L376-F390 HydrophobicContact CB-CE2 4.27Å; L376-F390 HydrophobicContact CD1-CD2 4.24Å; P377-F390 HydrophobicContact CB-CE2 3.96Å; P377-F390 HydrophobicContact CB-CZ 3.96Å; P377-F390 HydrophobicContact CG-CE2 4.03Å; P377-F390 HydrophobicContact CG-CZ 3.86Å; L388-F390 PolarHBondContact O-N 2.96Å; F390-P404 WeakPolarHBondContact O-CB 3.38Å; F390-H405 PolarHBondContact O-CD2 2.95Å; F390-I439 HydrophobicContact CD1-CG2 4.29Å; F390-I439 HydrophobicContact CE1-CG2 3.63Å
391	A	98.8	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.8	-179.9	0	0	0	0	0	112.1	I366 P404 F409 I439 V446	I366-A391 HydrophobicContact CB-CB 4.48Å; I366-A391 PolarHBondContact N-O 3.21Å; I366-A391 PolarHBondContact O-N 2.74Å; A391-P404 HydrophobicContact CB-CB 3.71Å; A391-F409 HydrophobicContact CB-CE2 3.93Å; A391-F409 HydrophobicContact CB-CZ 4.31Å; A391-I439 HydrophobicContact CB-CD1 4.14Å; A391-V446 HydrophobicContact CB-CG2 4.1Å
392	G	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	101.2	131.6	-177	0	0	0	0	0	112.1	Q365 R389 G394 P404 A407	Q365-G392 PolarHBondContact NE2-O 2.87Å; R389-G392 WeakPolarHBondContact CD-O 3.49Å; R389-G392 PolarHBondContact NH1-O 3.5Å; G392-G394 VanDerWaalsContact C-N 3.28Å; G392-P404 PolarHBondContact N-O 2.89Å; G392-A407 CarbonylContact C-O 3.59Å; G392-A407 VanDerWaalsContact CA-O 3.27Å; G392-A407 WeakPolarHBondContact CA-O 3.45Å
393	S	98.6	Very high	98.3	Very high	30 Å²	30	39.3 Å²	39.3	21%	0.21	20%	0.204	C	C	.	.			trans	-68.5	-30.4	176.7	59.2	0	0	0	0	111.8	Q365 R389 N395 H405 A407	Q365-S393 PolarHBondContact NE2-O 3.09Å; R389-S393 PolarHBondContact NH1-O 3.27Å; S393-N395 PolarHBondContact OG-N 2.95Å; S393-N395 VanDerWaalsContact OG-N 3.15Å; S393-H405 WeakPolarHBondContact CA-O 3.44Å; S393-A407 PolarHBondContact N-O 3.36Å
394	G	98	Very high	98.4	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	19%	0.187	C	C	.	.	S	Bend	trans	95.5	10.3	-169	0	0	0	0	0	113.8	K324 T363 G392	K324-G394 PolarHBondContact NZ-O 2.89Å; T363-G394 VanDerWaalsContact O-CA 3.29Å; T363-G394 WeakPolarHBondContact O-CA 3.35Å; G392-G394 VanDerWaalsContact C-N 3.28Å
395	N	98.1	Very high	98.4	Very high	86 Å²	86	35 Å²	35	46%	0.46	18%	0.182	S	C	.	.	S	Bend	trans	-94.6	146.1	164.2	-61.4	-19.8	0	0	0	109	S393 E397 F409	S393-N395 PolarHBondContact OG-N 2.95Å; S393-N395 VanDerWaalsContact OG-N 3.15Å; N395-E397 HydrophobicContact CB-CG 3.92Å; N395-E397 PolarHBondContact O-N 3.12Å; N395-F409 VanDerWaalsContact O-O 3.12Å
396	E	98.4	Very high	98.5	Very high	50 Å²	50	40.5 Å²	40.5	23%	0.234	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-77.2	100.6	173	-157.8	-178.7	169.7	0	0	110.3	H364 F409 A410 L459	H364-E396 IonicContact CE1-OE2 3.4Å; H364-E396 IonicContact NE2-OE2 2.89Å; E396-F409 CarbonylContact C-O 3.56Å; E396-F409 WeakPolarHBondContact CA-O 3.37Å; E396-A410 HydrophobicContact CG-CB 3.88Å; E396-L459 HydrophobicContact CB-CD1 4.46Å; E396-L459 HydrophobicContact CG-CD1 3.82Å
397	E	98.6	Very high	98.5	Very high	16 Å²	16	40 Å²	40	8%	0.075	20%	0.197	C	C	.	.			trans	-149.5	152.5	-173.7	-60.5	-178.6	136.9	0	0	112.5	N395 R399 G408 F409 R437 P456 M457	N395-E397 HydrophobicContact CB-CG 3.92Å; N395-E397 PolarHBondContact O-N 3.12Å; E397-R399 HydrophobicContact CB-CB 3.94Å; E397-R399 VanDerWaalsContact CD-NE 3.33Å; E397-R399 PolarHBondContact O-N 3.08Å; E397-R399 IonicContact OE1-CZ 2.77Å; E397-R399 IonicContact OE1-NE 3.73Å; E397-R399 PolarHBondContact OE1-NE 3.32Å; E397-R399 IonicContact OE1-NH2 2.66Å; E397-R399 PolarHBondContact OE1-NH2 3.47Å; E397-R399 WeakPolarHBondContact OE2-CB 3.35Å; E397-R399 WeakPolarHBondContact OE2-CD 3.38Å; E397-R399 IonicContact OE2-CZ 3.95Å; E397-R399 IonicContact OE2-NE 2.78Å; E397-R399 PolarHBondContact OE2-NE 3.14Å; E397-R399 IonicContact OE2-NH2 2.68Å; E397-G408 CarbonylContact O-C 3.53Å; E397-F409 PolarHBondContact N-O 3.2Å; E397-F409 CarbonylContact O-C 3.6Å; E397-F409 WeakPolarHBondContact O-CA 3.38Å; E397-F409 PolarHBondContact O-N 3.15Å; E397-R437 PolarHBondContact O-NH2 3.17Å; E397-P456 CarbonylContact C-O 3.46Å; E397-M457 HydrophobicContact CG-CE 4.23Å; E397-M457 HydrophobicContact CG-SD 4.09Å
398	N	98.7	Very high	98.5	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.197	C	C	.	.			trans	-84.3	37.8	164.6	-164.3	10.4	0	0	0	113.6	T435 R437 E453 P456 L459	N398-T435 WeakPolarHBondContact ND2-CG2 3.34Å; N398-R437 VanDerWaalsContact CA-NH2 3.26Å; N398-R437 PolarHBondContact OD1-NE 3.07Å; N398-R437 PolarHBondContact OD1-NH2 3.34Å; N398-E453 PolarHBondContact ND2-O 3.17Å; N398-P456 PolarHBondContact N-O 2.85Å; N398-L459 HydrophobicContact CB-CD2 4.43Å
399	R	98.8	Very high	98.5	Very high	77 Å²	77	39.5 Å²	39.5	29%	0.291	19%	0.194	S	C	.	.			trans	-94.6	117.2	-168.5	-170.7	-179	-56.4	-76.1	-4.5	113.5	E397 K406 A407 G408 R437 P456 M457	E397-R399 HydrophobicContact CB-CB 3.94Å; E397-R399 VanDerWaalsContact CD-NE 3.33Å; E397-R399 PolarHBondContact O-N 3.08Å; E397-R399 IonicContact OE1-CZ 2.77Å; E397-R399 IonicContact OE1-NE 3.73Å; E397-R399 PolarHBondContact OE1-NE 3.32Å; E397-R399 IonicContact OE1-NH2 2.66Å; E397-R399 PolarHBondContact OE1-NH2 3.47Å; E397-R399 WeakPolarHBondContact OE2-CB 3.35Å; E397-R399 WeakPolarHBondContact OE2-CD 3.38Å; E397-R399 IonicContact OE2-CZ 3.95Å; E397-R399 IonicContact OE2-NE 2.78Å; E397-R399 PolarHBondContact OE2-NE 3.14Å; E397-R399 IonicContact OE2-NH2 2.68Å; R399-K406 WeakPolarHBondContact CD-O 3.29Å; R399-A407 WeakPolarHBondContact O-CA 3.42Å; R399-A407 WeakPolarHBondContact O-CB 3.2Å; R399-G408 PolarHBondContact N-O 3.27Å; R399-G408 PolarHBondContact O-N 2.9Å; R399-G408 VanDerWaalsContact O-O 3.06Å; R399-R437 VanDerWaalsContact C-NH1 3.35Å; R399-R437 PolarHBondContact O-NH1 3.33Å; R399-R437 VanDerWaalsContact O-NH1 3.12Å; R399-P456 HydrophobicContact CB-CB 3.81Å; R399-P456 HydrophobicContact CG-CB 4.16Å; R399-M457 PolarHBondContact NH2-SD 3.05Å
400	N	98.8	Very high	98.5	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.294	19%	0.191	S	C	.	.			trans	-89.7	147.1	171.3	-63	-76.6	0	0	0	111.5	H448	N400-H448 PolarHBondContact OD1-N 3.41Å
401	N	98.7	Very high	98.5	Very high	50 Å²	50	38.5 Å²	38.5	27%	0.267	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-159.7	148.6	179.6	-151	-74.9	0	0	0	113.1	Y403 K406 A407 V446	N401-Y403 VanDerWaalsContact C-N 3.25Å; N401-Y403 PolarHBondContact O-N 3.42Å; N401-Y403 PolarHBondContact OD1-N 3.08Å; N401-K406 HydrophobicContact CB-CB 4.23Å; N401-A407 HydrophobicContact CB-CB 3.96Å; N401-V446 PolarHBondContact N-O 2.71Å; N401-V446 PolarHBondContact O-N 2.71Å
402	A	98.2	Very high	98.5	Very high	57 Å²	57	38.5 Å²	38.5	47%	0.471	19%	0.19	S	C	.	.	S	Bend	trans	-69.3	-23.3	173	0	0	0	0	0	113.2	K378	K378-A402 PolarHBondContact NZ-O 3.18Å
403	Y	98	Very high	98.5	Very high	144 Å²	144	38.5 Å²	38.5	57%	0.565	19%	0.19	S	C	*	.	S	Bend	trans	-102.3	119.8	174.9	-63.6	-83.6	0	0	0	109.7	N401 H405 K406 A407	N401-Y403 VanDerWaalsContact C-N 3.25Å; N401-Y403 PolarHBondContact O-N 3.42Å; N401-Y403 PolarHBondContact OD1-N 3.08Å; Y403-H405 VanDerWaalsContact C-N 3.31Å; Y403-H405 PolarHBondContact O-N 2.93Å; Y403-K406 PolarHBondContact O-N 3.42Å; Y403-A407 PolarHBondContact O-N 3.4Å
404	P	98.1	Very high	98.5	Very high	11 Å²	11	37 Å²	37	7%	0.071	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.5	-38.5	-170.3	16.8	-29.6	0	0	0	113.7	F390 A391 G392 K406 A407 G444	F390-P404 WeakPolarHBondContact O-CB 3.38Å; A391-P404 HydrophobicContact CB-CB 3.71Å; G392-P404 PolarHBondContact N-O 2.89Å; P404-K406 PolarHBondContact O-N 2.83Å; P404-A407 PolarHBondContact O-N 3.26Å; P404-G444 VanDerWaalsContact CB-O 3.3Å; P404-G444 WeakPolarHBondContact CB-O 3.25Å
405	H	98.4	Very high	98.6	Very high	85 Å²	85	37 Å²	37	39%	0.394	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-73.1	-13.7	-179.6	-60.8	-177	0	0	0	113.7	F390 S393 Y403	F390-H405 PolarHBondContact O-CD2 2.95Å; S393-H405 WeakPolarHBondContact CA-O 3.44Å; Y403-H405 VanDerWaalsContact C-N 3.31Å; Y403-H405 PolarHBondContact O-N 2.93Å
406	K	98.4	Very high	98.6	Very high	137 Å²	137	33.6 Å²	33.6	60%	0.596	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-99.4	-8.3	177.3	-65.2	-171.7	177.7	-173.7	0	113.1	R399 N401 Y403 P404	R399-K406 WeakPolarHBondContact CD-O 3.29Å; N401-K406 HydrophobicContact CB-CB 4.23Å; Y403-K406 PolarHBondContact O-N 3.42Å; P404-K406 PolarHBondContact O-N 2.83Å
407	A	98.8	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.			trans	-73.8	157.7	166.9	0	0	0	0	0	109.3	G392 S393 R399 N401 Y403 P404 V446	G392-A407 CarbonylContact C-O 3.59Å; G392-A407 VanDerWaalsContact CA-O 3.27Å; G392-A407 WeakPolarHBondContact CA-O 3.45Å; S393-A407 PolarHBondContact N-O 3.36Å; R399-A407 WeakPolarHBondContact O-CA 3.42Å; R399-A407 WeakPolarHBondContact O-CB 3.2Å; N401-A407 HydrophobicContact CB-CB 3.96Å; Y403-A407 PolarHBondContact O-N 3.4Å; P404-A407 PolarHBondContact O-N 3.26Å; A407-V446 HydrophobicContact CB-CB 3.63Å; A407-V446 HydrophobicContact CB-CG1 4.11Å; A407-V446 HydrophobicContact CB-CG2 3.51Å
408	G	98.8	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.			trans	-127.7	144.8	172.3	0	0	0	0	0	108.8	E397 R399 R437	E397-G408 CarbonylContact O-C 3.53Å; R399-G408 PolarHBondContact N-O 3.27Å; R399-G408 PolarHBondContact O-N 2.9Å; R399-G408 VanDerWaalsContact O-O 3.06Å; G408-R437 PolarHBondContact O-NH1 3.3Å; G408-R437 PolarHBondContact O-NH2 3.24Å; G408-R437 VanDerWaalsContact O-NH2 3.12Å
409	F	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-114.4	170.5	175.2	-66.3	-89.2	0	0	0	108.5	H364 I366 A391 N395 E396 E397 P412 V428 D430 I439 V446	H364-F409 HydrophobicContact CB-CB 4.49Å; H364-F409 WeakPolarHBondContact CB-O 3.35Å; H364-F409 WeakPolarHBondContact O-CB 3.43Å; I366-F409 HydrophobicContact CG1-CE1 4.32Å; I366-F409 HydrophobicContact CG1-CE2 4.28Å; I366-F409 HydrophobicContact CG1-CZ 4.1Å; A391-F409 HydrophobicContact CB-CE2 3.93Å; A391-F409 HydrophobicContact CB-CZ 4.31Å; N395-F409 VanDerWaalsContact O-O 3.12Å; E396-F409 CarbonylContact C-O 3.56Å; E396-F409 WeakPolarHBondContact CA-O 3.37Å; E397-F409 PolarHBondContact N-O 3.2Å; E397-F409 CarbonylContact O-C 3.6Å; E397-F409 WeakPolarHBondContact O-CA 3.38Å; E397-F409 PolarHBondContact O-N 3.15Å; F409-P412 HydrophobicContact CB-CG 4.22Å; F409-V428 HydrophobicContact CD1-CG1 4.36Å; F409-V428 HydrophobicContact CE1-CG1 4.33Å; F409-D430 VanDerWaalsContact CB-OD1 3.32Å; F409-D430 WeakPolarHBondContact CB-OD1 3.44Å; F409-I439 HydrophobicContact CE1-CD1 4.11Å; F409-I439 HydrophobicContact CE2-CD1 4.47Å; F409-I439 HydrophobicContact CZ-CD1 3.57Å; F409-I439 HydrophobicContact CZ-CG1 4.09Å; F409-V446 HydrophobicContact CE1-CG1 3.91Å; F409-V446 HydrophobicContact CE2-CG1 4.46Å; F409-V446 HydrophobicContact CE2-CG2 4.25Å; F409-V446 HydrophobicContact CZ-CB 4.36Å; F409-V446 HydrophobicContact CZ-CG1 3.59Å; F409-V446 HydrophobicContact CZ-CG2 3.81Å
410	A	98.8	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-138.6	94.1	176.9	0	0	0	0	0	107.8	E396 D430 S431 E432 L459	E396-A410 HydrophobicContact CG-CB 3.88Å; A410-D430 VanDerWaalsContact N-CG 3.34Å; A410-D430 PolarHBondContact N-OD1 3.26Å; A410-D430 PolarHBondContact N-OD2 3.08Å; A410-D430 VanDerWaalsContact N-OD2 3.13Å; A410-D430 CarbonylContact O-C 3.03Å; A410-S431 PolarHBondContact O-N 2.85Å; A410-E432 HydrophobicContact CB-CB 3.78Å; A410-E432 PolarHBondContact O-N 2.93Å; A410-L459 HydrophobicContact CB-CD2 3.82Å
411	Q	98.6	Very high	97.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.185	C	C	.	.			trans	51.4	65	-178.4	-161.4	174.2	-54.8	0	0	113	C89 I91 A361 H364 S413 S431 E432	C89-Q411 PolarHBondContact O-NE2 2.96Å; C89-Q411 PolarHBondContact O-OE1 3.46Å; I91-Q411 HydrophobicContact CB-CG 4.16Å; I91-Q411 VanDerWaalsContact CB-OE1 3.3Å; I91-Q411 HydrophobicContact CG2-CG 4.23Å; A361-Q411 HydrophobicContact CB-CG 3.94Å; H364-Q411 PolarHBondContact ND1-N 3.4Å; Q411-S413 PolarHBondContact O-N 3Å; Q411-S413 PolarHBondContact O-OG 2.89Å; Q411-S431 WeakPolarHBondContact O-CB 3.42Å; Q411-S431 PolarHBondContact O-N 2.78Å; Q411-S431 PolarHBondContact O-OG 2.99Å; Q411-E432 HydrophobicContact CB-CB 4.07Å; Q411-E432 HydrophobicContact CB-CG 3.6Å; Q411-E432 HydrophobicContact CG-CG 4.38Å
412	P	98.9	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.4	176.6	28.2	-34.1	0	0	0	109.8	A359 I366 F409 V428 A429	A359-P412 HydrophobicContact CB-CB 4.25Å; A359-P412 WeakPolarHBondContact CB-O 3.35Å; I366-P412 HydrophobicContact CD1-CB 3.76Å; I366-P412 HydrophobicContact CD1-CG 3.98Å; F409-P412 HydrophobicContact CB-CG 4.22Å; P412-V428 HydrophobicContact CB-CG1 3.79Å; P412-A429 WeakPolarHBondContact CA-O 3.25Å
413	S	98.9	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-5.5	-169.6	-54.7	0	0	0	0	114.7	K228 Q411 A429 S431 L478	K228-S413 WeakPolarHBondContact CE-O 3.15Å; K228-S413 PolarHBondContact NZ-O 3.31Å; Q411-S413 PolarHBondContact O-N 3Å; Q411-S413 PolarHBondContact O-OG 2.89Å; S413-A429 PolarHBondContact N-O 2.87Å; S413-S431 WeakPolarHBondContact CB-OG 3.44Å; S413-S431 PolarHBondContact OG-OG 3.24Å; S413-L478 CarbonylContact C-O 3.51Å; S413-L478 VanDerWaalsContact C-O 3.24Å
414	G	98.9	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.4	179.2	0	0	0	0	0	112.7	D340 V428 A429 L478	D340-G414 VanDerWaalsContact OD2-CA 3.29Å; D340-G414 WeakPolarHBondContact OD2-CA 3.39Å; G414-V428 CarbonylContact O-C 3.56Å; G414-V428 WeakPolarHBondContact O-CA 3.42Å; G414-A429 PolarHBondContact O-N 3.36Å; G414-L478 WeakPolarHBondContact CA-O 3Å; G414-L478 PolarHBondContact N-O 3.06Å
415	L	98.9	Very high	97.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.9	-179	-65.6	-177.4	0	0	0	112	D340 V342 W357 A359 I366 L426 F427 V428	D340-L415 HydrophobicContact CB-CG 4.46Å; D340-L415 PolarHBondContact OD2-N 3.35Å; V342-L415 HydrophobicContact CG1-CB 3.99Å; V342-L415 WeakPolarHBondContact CG1-O 3.46Å; V342-L415 HydrophobicContact CG2-CB 3.8Å; V342-L415 HydrophobicContact CG2-CD1 4.23Å; W357-L415 HydrophobicContact CB-CD1 4.03Å; A359-L415 HydrophobicContact CB-CD1 3.93Å; A359-L415 HydrophobicContact CB-CD2 4.11Å; A359-L415 HydrophobicContact CB-CG 3.74Å; I366-L415 HydrophobicContact CD1-CD2 3.98Å; L415-L426 HydrophobicContact CB-CD1 4.38Å; L415-L426 HydrophobicContact CD1-CD2 4.26Å; L415-L426 HydrophobicContact CD2-CD2 3.77Å; L415-L426 HydrophobicContact CD2-CG 4.09Å; L415-F427 WeakPolarHBondContact CA-O 3.32Å; L415-V428 HydrophobicContact CD2-CB 4.32Å; L415-V428 HydrophobicContact CD2-CG1 4.2Å; L415-V428 HydrophobicContact CD2-CG2 3.8Å
416	S	98.8	Very high	97.7	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.091	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137.1	166.5	-159.1	0	0	0	0	112	F427 T481 W482	S416-F427 PolarHBondContact N-O 3.28Å; S416-F427 PolarHBondContact O-N 2.95Å; S416-T481 WeakPolarHBondContact OG-CA 3.49Å; S416-W482 WeakPolarHBondContact OG-CB 3.42Å; S416-W482 PolarHBondContact OG-N 3.3Å
417	L	98	Very high	97.7	Very high	45 Å²	45	20.9 Å²	20.9	24%	0.236	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.7	-175.8	-169.6	76.2	0	0	0	111.4	F343 L426 L441	F343-L417 WeakPolarHBondContact O-CD2 3.46Å; L417-L426 HydrophobicContact CB-CD1 4.44Å; L417-L426 HydrophobicContact CD1-CD1 4.06Å; L417-L441 HydrophobicContact CD1-CD1 3.61Å; L417-L441 HydrophobicContact CD1-CD2 4.1Å; L417-L441 HydrophobicContact CD1-CG 4.44Å
418	A	97.6	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	84.9	165.6	0	0	0	0	0	108.7	W423 S424 C425 F427 W482	A418-W423 HydrophobicContact CB-CB 3.94Å; A418-W423 HydrophobicContact CB-CG 4.49Å; A418-S424 CarbonylContact O-C 3.55Å; A418-S424 VanDerWaalsContact O-CA 3.22Å; A418-S424 WeakPolarHBondContact O-CA 3.28Å; A418-S424 PolarHBondContact O-N 3.44Å; A418-C425 CarbonylContact C-O 3.46Å; A418-C425 PolarHBondContact N-O 2.89Å; A418-C425 PolarHBondContact O-N 2.98Å; A418-F427 HydrophobicContact CB-CD2 4.18Å; A418-F427 HydrophobicContact CB-CE2 3.62Å; A418-W482 HydrophobicContact CB-CD2 3.93Å; A418-W482 HydrophobicContact CB-CG 3.82Å; A418-W482 HydrophobicContact CB-CZ2 4.43Å
419	S	94.4	Very high	97.7	Very high	38 Å²	38	20.9 Å²	20.9	27%	0.266	12%	0.117	S	C	.	.			trans	-75.5	-27.5	-172.6	65.6	0	0	0	0	113.5	S424	S419-S424 PolarHBondContact O-OG 2.88Å
420	E	94.2	Very high	97.7	Very high	63 Å²	63	20.9 Å²	20.9	29%	0.294	12%	0.117	S	C	.	.	S	Bend	trans	-72.1	152	-174.8	72.5	-76	-176.2	0	0	113.1	W423 S424 W482	E420-W423 WeakPolarHBondContact O-CA 3.38Å; E420-W423 WeakPolarHBondContact O-CB 3.45Å; E420-W423 PolarHBondContact O-N 2.97Å; E420-S424 PolarHBondContact O-N 2.78Å; E420-W482 PolarHBondContact OE1-NE1 3.25Å
421	D	94.2	Very high	97.7	Very high	115 Å²	115	20.9 Å²	20.9	62%	0.615	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	145.6	170.7	-83	-42.7	0	0	0	110.6	S424 K442	D421-S424 PolarHBondContact OD1-OG 3.02Å; D421-K442 IonicContact OD1-NZ 2.76Å; D421-K442 PolarHBondContact OD1-NZ 3.49Å
422	P	96.1	Very high	97.7	Very high	95 Å²	95	21 Å²	21	62%	0.617	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.6	9.8	7.3	37.3	-37.1	0	0	0	114.3
423	W	96.8	Very high	97.7	Very high	41 Å²	41	21 Å²	21	16%	0.155	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-60.9	-170	-50.5	117.1	0	0	0	112	A418 E420 C425 W482 N487 P504 K505	A418-W423 HydrophobicContact CB-CB 3.94Å; A418-W423 HydrophobicContact CB-CG 4.49Å; E420-W423 WeakPolarHBondContact O-CA 3.38Å; E420-W423 WeakPolarHBondContact O-CB 3.45Å; E420-W423 PolarHBondContact O-N 2.97Å; W423-C425 PolarHBondContact O-N 3.5Å; W423-W482 AromaticContact CD1-CH2 3.98Å; W423-W482 AromaticContact CD1-CZ2 3.46Å; W423-W482 VanDerWaalsContact CD1-CZ2 3.46Å; W423-W482 HydrophobicContact CD2-CH2 4.16Å; W423-W482 HydrophobicContact CD2-CZ2 4.38Å; W423-W482 AromaticContact CE2-CH2 3.63Å; W423-W482 AromaticContact CE2-CZ2 3.91Å; W423-W482 HydrophobicContact CG-CH2 4.36Å; W423-W482 HydrophobicContact CG-CZ2 4.13Å; W423-W482 AromaticContact CZ2-CH2 3.94Å; W423-W482 HydrophobicContact CZ2-CH2 3.94Å; W423-W482 AromaticContact NE1-CH2 3.53Å; W423-W482 AromaticContact NE1-CZ2 3.31Å; W423-W482 VanDerWaalsContact NE1-CZ2 3.31Å; W423-N487 HydrophobicContact CZ2-CB 4.04Å; W423-N487 PolarHBondContact NE1-OD1 2.87Å; W423-P504 HydrophobicContact CE3-CB 4.37Å; W423-P504 HydrophobicContact CE3-CG 4.29Å; W423-P504 HydrophobicContact CH2-CB 3.97Å; W423-P504 HydrophobicContact CH2-CG 3.51Å; W423-P504 HydrophobicContact CZ2-CG 4.11Å; W423-P504 HydrophobicContact CZ3-CB 3.67Å; W423-P504 HydrophobicContact CZ3-CG 3.65Å; W423-K505 HydrophobicContact CH2-CB 4.44Å; W423-K505 HydrophobicContact CH2-CD 4.34Å; W423-K505 HydrophobicContact CH2-CG 3.37Å; W423-K505 HydrophobicContact CZ2-CG 4.09Å; W423-K505 HydrophobicContact CZ3-CG 4.25Å
424	S	96.9	Very high	97.7	Very high	13 Å²	13	21 Å²	21	9%	0.091	12%	0.118	C	C	.	.			trans	37.6	54.5	-176.2	-56.7	0	0	0	0	112.8	A418 S419 E420 D421 L441 K442	A418-S424 CarbonylContact O-C 3.55Å; A418-S424 VanDerWaalsContact O-CA 3.22Å; A418-S424 WeakPolarHBondContact O-CA 3.28Å; A418-S424 PolarHBondContact O-N 3.44Å; S419-S424 PolarHBondContact O-OG 2.88Å; E420-S424 PolarHBondContact O-N 2.78Å; D421-S424 PolarHBondContact OD1-OG 3.02Å; S424-L441 WeakPolarHBondContact O-CB 3.22Å; S424-L441 PolarHBondContact O-N 3.03Å; S424-K442 VanDerWaalsContact CB-CE 3.44Å; S424-K442 WeakPolarHBondContact OG-CE 3.16Å
425	C	98.1	Very high	97.7	Very high	8 Å²	8	21 Å²	21	5%	0.054	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	160.6	-174.5	68.8	0	0	0	0	113.1	A418 W423 I439	A418-C425 CarbonylContact C-O 3.46Å; A418-C425 PolarHBondContact N-O 2.89Å; A418-C425 PolarHBondContact O-N 2.98Å; W423-C425 PolarHBondContact O-N 3.5Å; C425-I439 CarbonylContact C-O 3.56Å; C425-I439 WeakPolarHBondContact CA-O 3.29Å; C425-I439 WeakPolarHBondContact CB-O 3.41Å
426	L	98.6	Very high	97.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.5	163.9	-169.4	70.6	0	0	0	108	V342 W357 I366 L415 L417 T438 I439 L441	V342-L426 HydrophobicContact CG2-CD1 3.71Å; W357-L426 HydrophobicContact CB-CD2 4.2Å; W357-L426 HydrophobicContact CD2-CD2 4.38Å; W357-L426 HydrophobicContact CG-CD1 4.43Å; W357-L426 HydrophobicContact CG-CD2 4.19Å; I366-L426 HydrophobicContact CG2-CD2 4.02Å; L415-L426 HydrophobicContact CB-CD1 4.38Å; L415-L426 HydrophobicContact CD1-CD2 4.26Å; L415-L426 HydrophobicContact CD2-CD2 3.77Å; L415-L426 HydrophobicContact CD2-CG 4.09Å; L417-L426 HydrophobicContact CB-CD1 4.44Å; L417-L426 HydrophobicContact CD1-CD1 4.06Å; L426-T438 CarbonylContact O-C 3.55Å; L426-T438 WeakPolarHBondContact O-CA 3.18Å; L426-I439 HydrophobicContact CB-CB 4.33Å; L426-I439 PolarHBondContact N-O 2.76Å; L426-I439 PolarHBondContact O-N 3.33Å; L426-L441 HydrophobicContact CB-CD2 4.47Å
427	F	98.9	Very high	97.7	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.3	168.6	-66.8	-74.7	0	0	0	109.8	L415 S416 A418 R437 T438 L449 V480 W482 L489 P504	L415-F427 WeakPolarHBondContact CA-O 3.32Å; S416-F427 PolarHBondContact N-O 3.28Å; S416-F427 PolarHBondContact O-N 2.95Å; A418-F427 HydrophobicContact CB-CD2 4.18Å; A418-F427 HydrophobicContact CB-CE2 3.62Å; F427-R437 CarbonylContact C-O 3.56Å; F427-R437 WeakPolarHBondContact CA-O 3.36Å; F427-T438 HydrophobicContact CD1-CG2 3.64Å; F427-T438 HydrophobicContact CE1-CG2 3.53Å; F427-L449 HydrophobicContact CD1-CD2 3.92Å; F427-L449 HydrophobicContact CE1-CD2 3.79Å; F427-V480 HydrophobicContact CB-CG2 4.2Å; F427-W482 HydrophobicContact CD2-CB 4.31Å; F427-W482 HydrophobicContact CD2-CE3 4.37Å; F427-W482 HydrophobicContact CE2-CB 4.43Å; F427-W482 AromaticContact CE2-CD2 3.85Å; F427-W482 HydrophobicContact CE2-CD2 3.85Å; F427-W482 AromaticContact CE2-CE3 3.53Å; F427-W482 HydrophobicContact CE2-CE3 3.53Å; F427-W482 HydrophobicContact CE2-CG 4.25Å; F427-W482 HydrophobicContact CE2-CZ3 4.06Å; F427-W482 HydrophobicContact CZ-CE3 4.02Å; F427-W482 HydrophobicContact CZ-CZ3 4.11Å; F427-L489 HydrophobicContact CB-CD1 3.85Å; F427-L489 HydrophobicContact CB-CD2 4.14Å; F427-L489 HydrophobicContact CD1-CD1 4.16Å; F427-L489 HydrophobicContact CD1-CD2 3.63Å; F427-L489 HydrophobicContact CD1-CG 4.48Å; F427-L489 HydrophobicContact CD2-CD1 3.61Å; F427-L489 HydrophobicContact CE1-CD2 4.14Å; F427-L489 HydrophobicContact CE2-CD1 4.13Å; F427-L489 HydrophobicContact CG-CD1 3.61Å; F427-L489 HydrophobicContact CG-CD2 3.89Å; F427-L489 HydrophobicContact CG-CG 4.38Å; F427-P504 HydrophobicContact CE1-CB 4.26Å; F427-P504 HydrophobicContact CZ-CB 4.23Å; F427-P504 HydrophobicContact CZ-CG 4.22Å
428	V	99	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.1	-176.8	-173.8	0	0	0	0	109.5	I366 F409 P412 G414 L415 V436 R437 I439	I366-V428 HydrophobicContact CD1-CG1 4.06Å; I366-V428 HydrophobicContact CD1-CG2 4.38Å; I366-V428 HydrophobicContact CG1-CG2 4.39Å; F409-V428 HydrophobicContact CD1-CG1 4.36Å; F409-V428 HydrophobicContact CE1-CG1 4.33Å; P412-V428 HydrophobicContact CB-CG1 3.79Å; G414-V428 CarbonylContact O-C 3.56Å; G414-V428 WeakPolarHBondContact O-CA 3.42Å; L415-V428 HydrophobicContact CD2-CB 4.32Å; L415-V428 HydrophobicContact CD2-CG1 4.2Å; L415-V428 HydrophobicContact CD2-CG2 3.8Å; V428-V436 CarbonylContact O-C 3.48Å; V428-V436 WeakPolarHBondContact O-CA 3.38Å; V428-R437 HydrophobicContact CB-CB 4.41Å; V428-R437 PolarHBondContact N-O 3.07Å; V428-R437 PolarHBondContact O-N 3.46Å; V428-I439 HydrophobicContact CG2-CD1 3.81Å; V428-I439 HydrophobicContact CG2-CG1 3.99Å
429	A	98.9	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	113.5	161	0	0	0	0	0	108.3	P412 S413 G414 V480	P412-A429 WeakPolarHBondContact CA-O 3.25Å; S413-A429 PolarHBondContact N-O 2.87Å; G414-A429 PolarHBondContact O-N 3.36Å; A429-V480 HydrophobicContact CB-CG1 3.91Å; A429-V480 HydrophobicContact CB-CG2 4.42Å
430	D	98.9	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	96.6	-177.2	-166.5	63.3	0	0	0	109	F409 A410 S433 S434 T435 R437	F409-D430 VanDerWaalsContact CB-OD1 3.32Å; F409-D430 WeakPolarHBondContact CB-OD1 3.44Å; A410-D430 VanDerWaalsContact N-CG 3.34Å; A410-D430 PolarHBondContact N-OD1 3.26Å; A410-D430 PolarHBondContact N-OD2 3.08Å; A410-D430 VanDerWaalsContact N-OD2 3.13Å; A410-D430 CarbonylContact O-C 3.03Å; D430-S433 PolarHBondContact O-OG 2.97Å; D430-S433 VanDerWaalsContact O-OG 3.11Å; D430-S433 WeakPolarHBondContact OD2-CB 3.31Å; D430-S433 PolarHBondContact OD2-OG 3.49Å; D430-S434 PolarHBondContact O-N 3.1Å; D430-T435 PolarHBondContact N-O 3.37Å; D430-T435 PolarHBondContact O-N 3.15Å; D430-T435 VanDerWaalsContact O-N 3.12Å; D430-R437 HydrophobicContact CB-CG 4.36Å; D430-R437 IonicContact OD2-CZ 3.24Å; D430-R437 IonicContact OD2-NE 3.51Å; D430-R437 PolarHBondContact OD2-NE 3.14Å; D430-R437 IonicContact OD2-NH2 2.78Å; D430-R437 PolarHBondContact OD2-NH2 3.01Å
431	S	98.9	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-49.4	-153.9	-51.9	0	0	0	0	112.7	A410 Q411 S413 S433 S434 H476 P477	A410-S431 PolarHBondContact O-N 2.85Å; Q411-S431 WeakPolarHBondContact O-CB 3.42Å; Q411-S431 PolarHBondContact O-N 2.78Å; Q411-S431 PolarHBondContact O-OG 2.99Å; S413-S431 WeakPolarHBondContact CB-OG 3.44Å; S413-S431 PolarHBondContact OG-OG 3.24Å; S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.29Å; S431-S434 WeakPolarHBondContact O-CA 3.26Å; S431-S434 PolarHBondContact O-N 2.88Å; S431-S434 PolarHBondContact O-OG 2.86Å; S431-H476 WeakPolarHBondContact O-CA 3.34Å; S431-P477 WeakPolarHBondContact CB-O 3.25Å; S431-P477 PolarHBondContact OG-O 2.77Å
432	E	98.5	Very high	98.1	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.1	-176.7	-78.5	-62.1	99.5	0	0	113	K122 F123 A410 Q411 S434 H476	K122-E432 WeakPolarHBondContact CD-OE2 3.44Å; K122-E432 WeakPolarHBondContact CE-OE2 3.42Å; K122-E432 IonicContact NZ-OE2 3.74Å; K122-E432 PolarHBondContact NZ-OE2 2.85Å; F123-E432 WeakPolarHBondContact CE2-OE1 3.38Å; A410-E432 HydrophobicContact CB-CB 3.78Å; A410-E432 PolarHBondContact O-N 2.93Å; Q411-E432 HydrophobicContact CB-CB 4.07Å; Q411-E432 HydrophobicContact CB-CG 3.6Å; Q411-E432 HydrophobicContact CG-CG 4.38Å; E432-S434 VanDerWaalsContact C-N 3.34Å; E432-H476 IonicContact OE1-CE1 2.68Å; E432-H476 PolarHBondContact OE1-CE1 3.28Å; E432-H476 IonicContact OE1-ND1 3.78Å; E432-H476 PolarHBondContact OE1-ND1 2.9Å
433	S	98.7	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-10.8	170.7	70.6	0	0	0	0	113.3	D430 S431 T435	D430-S433 PolarHBondContact O-OG 2.97Å; D430-S433 VanDerWaalsContact O-OG 3.11Å; D430-S433 WeakPolarHBondContact OD2-CB 3.31Å; D430-S433 PolarHBondContact OD2-OG 3.49Å; S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.29Å; S433-T435 VanDerWaalsContact C-N 3.29Å; S433-T435 WeakPolarHBondContact O-CG2 3.28Å; S433-T435 PolarHBondContact O-N 2.85Å; S433-T435 PolarHBondContact OG-OG1 3.43Å
434	S	98.9	Very high	98.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	46.2	-171.7	-63.8	0	0	0	0	112.7	D430 S431 E432 G452 L474 H476	D430-S434 PolarHBondContact O-N 3.1Å; S431-S434 WeakPolarHBondContact O-CA 3.26Å; S431-S434 PolarHBondContact O-N 2.88Å; S431-S434 PolarHBondContact O-OG 2.86Å; E432-S434 VanDerWaalsContact C-N 3.34Å; S434-G452 PolarHBondContact O-N 3.06Å; S434-L474 WeakPolarHBondContact CB-O 3.3Å; S434-H476 PolarHBondContact OG-N 2.88Å; S434-H476 VanDerWaalsContact OG-N 3.08Å
435	T	98.9	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.4	179.1	67.9	0	0	0	0	113.1	N398 D430 S433 R437 V450	N398-T435 WeakPolarHBondContact ND2-CG2 3.34Å; D430-T435 PolarHBondContact N-O 3.37Å; D430-T435 PolarHBondContact O-N 3.15Å; D430-T435 VanDerWaalsContact O-N 3.12Å; S433-T435 VanDerWaalsContact C-N 3.29Å; S433-T435 WeakPolarHBondContact O-CG2 3.28Å; S433-T435 PolarHBondContact O-N 2.85Å; S433-T435 PolarHBondContact OG-OG1 3.43Å; T435-R437 PolarHBondContact OG1-NE 3.12Å; T435-V450 WeakPolarHBondContact CA-O 3.38Å
436	V	98.9	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.8	160.8	-178.7	0	0	0	0	108.8	V428 L449 V450 L474 V480 L489 V491	V428-V436 CarbonylContact O-C 3.48Å; V428-V436 WeakPolarHBondContact O-CA 3.38Å; V436-L449 HydrophobicContact CB-CB 4.43Å; V436-L449 HydrophobicContact CB-CD2 4.39Å; V436-L449 HydrophobicContact CG1-CB 4.36Å; V436-L449 HydrophobicContact CG1-CD2 3.74Å; V436-L449 VanDerWaalsContact O-CB 3.24Å; V436-L449 WeakPolarHBondContact O-CB 3.16Å; V436-L449 PolarHBondContact O-N 3Å; V436-V450 HydrophobicContact CB-CG2 3.89Å; V436-V450 HydrophobicContact CG2-CG2 4.09Å; V436-V450 PolarHBondContact N-O 2.87Å; V436-V450 PolarHBondContact O-N 2.81Å; V436-L474 HydrophobicContact CG2-CD1 3.9Å; V436-V480 HydrophobicContact CG1-CG1 4.21Å; V436-V480 HydrophobicContact CG2-CG1 4.26Å; V436-L489 HydrophobicContact CG1-CD2 3.66Å; V436-V491 HydrophobicContact CG2-CG1 4.02Å; V436-V491 HydrophobicContact CG2-CG2 3.98Å
437	R	98.9	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.6	-177.5	-47.6	-152.3	-164.8	170	25	112.1	E397 N398 R399 G408 F427 V428 D430 T435	E397-R437 PolarHBondContact O-NH2 3.17Å; N398-R437 VanDerWaalsContact CA-NH2 3.26Å; N398-R437 PolarHBondContact OD1-NE 3.07Å; N398-R437 PolarHBondContact OD1-NH2 3.34Å; R399-R437 VanDerWaalsContact C-NH1 3.35Å; R399-R437 PolarHBondContact O-NH1 3.33Å; R399-R437 VanDerWaalsContact O-NH1 3.12Å; G408-R437 PolarHBondContact O-NH1 3.3Å; G408-R437 PolarHBondContact O-NH2 3.24Å; G408-R437 VanDerWaalsContact O-NH2 3.12Å; F427-R437 CarbonylContact C-O 3.56Å; F427-R437 WeakPolarHBondContact CA-O 3.36Å; V428-R437 HydrophobicContact CB-CB 4.41Å; V428-R437 PolarHBondContact N-O 3.07Å; V428-R437 PolarHBondContact O-N 3.46Å; D430-R437 HydrophobicContact CB-CG 4.36Å; D430-R437 IonicContact OD2-CZ 3.24Å; D430-R437 IonicContact OD2-NE 3.51Å; D430-R437 PolarHBondContact OD2-NE 3.14Å; D430-R437 IonicContact OD2-NH2 2.78Å; D430-R437 PolarHBondContact OD2-NH2 3.01Å; T435-R437 PolarHBondContact OG1-NE 3.12Å
438	T	98.9	Very high	98.2	Very high	24 Å²	24	21.1 Å²	21.1	15%	0.147	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.4	171.4	54.7	0	0	0	0	109.6	L426 F427 V446 K447	L426-T438 CarbonylContact O-C 3.55Å; L426-T438 WeakPolarHBondContact O-CA 3.18Å; F427-T438 HydrophobicContact CD1-CG2 3.64Å; F427-T438 HydrophobicContact CE1-CG2 3.53Å; T438-V446 CarbonylContact O-C 3.51Å; T438-V446 WeakPolarHBondContact O-CA 3.26Å; T438-K447 PolarHBondContact N-O 2.99Å; T438-K447 PolarHBondContact O-N 2.79Å; T438-K447 PolarHBondContact OG1-O 3.1Å
439	I	98.8	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	168.4	-50.5	-179.8	0	0	0	107.7	I366 F390 A391 F409 C425 L426 V428 L441 A445 V446	I366-I439 HydrophobicContact CB-CD1 3.98Å; I366-I439 HydrophobicContact CG1-CD1 3.47Å; I366-I439 VanDerWaalsContact CG1-CD1 3.47Å; I366-I439 HydrophobicContact CG2-CD1 4.23Å; F390-I439 HydrophobicContact CD1-CG2 4.29Å; F390-I439 HydrophobicContact CE1-CG2 3.63Å; A391-I439 HydrophobicContact CB-CD1 4.14Å; F409-I439 HydrophobicContact CE1-CD1 4.11Å; F409-I439 HydrophobicContact CE2-CD1 4.47Å; F409-I439 HydrophobicContact CZ-CD1 3.57Å; F409-I439 HydrophobicContact CZ-CG1 4.09Å; C425-I439 CarbonylContact C-O 3.56Å; C425-I439 WeakPolarHBondContact CA-O 3.29Å; C425-I439 WeakPolarHBondContact CB-O 3.41Å; L426-I439 HydrophobicContact CB-CB 4.33Å; L426-I439 PolarHBondContact N-O 2.76Å; L426-I439 PolarHBondContact O-N 3.33Å; V428-I439 HydrophobicContact CG2-CD1 3.81Å; V428-I439 HydrophobicContact CG2-CG1 3.99Å; I439-L441 PolarHBondContact O-N 2.78Å; I439-A445 WeakPolarHBondContact CA-O 3.35Å; I439-V446 HydrophobicContact CG1-CG2 4.18Å; I439-V446 HydrophobicContact CG2-CG2 4.39Å
440	S	98.2	Very high	98.2	Very high	21 Å²	21	21.4 Å²	21.4	15%	0.147	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.7	178.8	164.5	0	0	0	0	111.2	K442 D443 G444 A445	S440-K442 PolarHBondContact O-N 2.97Å; S440-K442 PolarHBondContact OG-N 3.23Å; S440-D443 WeakPolarHBondContact CB-OD1 3.41Å; S440-D443 PolarHBondContact OG-N 2.98Å; S440-D443 PolarHBondContact OG-OD1 3.47Å; S440-G444 WeakPolarHBondContact O-CA 3.49Å; S440-G444 PolarHBondContact O-N 3.08Å; S440-A445 PolarHBondContact N-O 3.01Å
441	L	95.8	Very high	98.2	Very high	39 Å²	39	21.4 Å²	21.4	20%	0.204	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.4	172.8	-58.5	171.7	0	0	0	112.1	W357 P377 L417 S424 L426 I439	W357-L441 HydrophobicContact CZ2-CD2 3.97Å; P377-L441 WeakPolarHBondContact CG-O 3.28Å; L417-L441 HydrophobicContact CD1-CD1 3.61Å; L417-L441 HydrophobicContact CD1-CD2 4.1Å; L417-L441 HydrophobicContact CD1-CG 4.44Å; S424-L441 WeakPolarHBondContact O-CB 3.22Å; S424-L441 PolarHBondContact O-N 3.03Å; L426-L441 HydrophobicContact CB-CD2 4.47Å; I439-L441 PolarHBondContact O-N 2.78Å
442	K	93.9	Very high	98.1	Very high	133 Å²	133	21.4 Å²	21.4	58%	0.578	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-43.4	177.7	-59.7	-172.5	-177.7	-176.7	0	111.6	D421 S424 S440	D421-K442 IonicContact OD1-NZ 2.76Å; D421-K442 PolarHBondContact OD1-NZ 3.49Å; S424-K442 VanDerWaalsContact CB-CE 3.44Å; S424-K442 WeakPolarHBondContact OG-CE 3.16Å; S440-K442 PolarHBondContact O-N 2.97Å; S440-K442 PolarHBondContact OG-N 3.23Å
443	D	95.2	Very high	98.1	Very high	56 Å²	56	25.1 Å²	25.1	30%	0.299	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	2.1	-168.9	74.8	-22.4	0	0	0	114.4	K378 S440 A445	K378-D443 WeakPolarHBondContact CD-O 3.36Å; K378-D443 WeakPolarHBondContact CE-O 3.18Å; K378-D443 PolarHBondContact NZ-O 3.39Å; S440-D443 WeakPolarHBondContact CB-OD1 3.41Å; S440-D443 PolarHBondContact OG-N 2.98Å; S440-D443 PolarHBondContact OG-OD1 3.47Å; D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.85Å; D443-A445 VanDerWaalsContact OD1-N 3.16Å
444	G	97.3	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.16	C	C	.	.			trans	71.8	9.7	179.7	0	0	0	0	0	114.8	P404 S440 V446	P404-G444 VanDerWaalsContact CB-O 3.3Å; P404-G444 WeakPolarHBondContact CB-O 3.25Å; S440-G444 WeakPolarHBondContact O-CA 3.49Å; S440-G444 PolarHBondContact O-N 3.08Å; G444-V446 PolarHBondContact O-N 3.5Å
445	A	98.6	Very high	98	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	18%	0.181	C	C	.	.			trans	-63.3	128.3	178.5	0	0	0	0	0	111	I439 S440 D443	I439-A445 WeakPolarHBondContact CA-O 3.35Å; S440-A445 PolarHBondContact N-O 3.01Å; D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.85Å; D443-A445 VanDerWaalsContact OD1-N 3.16Å
446	V	98.9	Very high	97.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.7	176.5	-174.4	0	0	0	0	109	A391 N401 A407 F409 T438 I439 G444	A391-V446 HydrophobicContact CB-CG2 4.1Å; N401-V446 PolarHBondContact N-O 2.71Å; N401-V446 PolarHBondContact O-N 2.71Å; A407-V446 HydrophobicContact CB-CB 3.63Å; A407-V446 HydrophobicContact CB-CG1 4.11Å; A407-V446 HydrophobicContact CB-CG2 3.51Å; F409-V446 HydrophobicContact CE1-CG1 3.91Å; F409-V446 HydrophobicContact CE2-CG1 4.46Å; F409-V446 HydrophobicContact CE2-CG2 4.25Å; F409-V446 HydrophobicContact CZ-CB 4.36Å; F409-V446 HydrophobicContact CZ-CG1 3.59Å; F409-V446 HydrophobicContact CZ-CG2 3.81Å; T438-V446 CarbonylContact O-C 3.51Å; T438-V446 WeakPolarHBondContact O-CA 3.26Å; I439-V446 HydrophobicContact CG1-CG2 4.18Å; I439-V446 HydrophobicContact CG2-CG2 4.39Å; G444-V446 PolarHBondContact O-N 3.5Å
447	K	98.8	Very high	97.8	Very high	123 Å²	123	45.9 Å²	45.9	54%	0.535	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.4	-175.7	-61.4	174.5	-176.8	171.4	0	111.7	T438	T438-K447 PolarHBondContact N-O 2.99Å; T438-K447 PolarHBondContact O-N 2.79Å; T438-K447 PolarHBondContact OG1-O 3.1Å
448	H	98.8	Very high	97.8	Very high	39 Å²	39	48.2 Å²	48.2	18%	0.181	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.3	173.5	170.9	-92.6	0	0	0	112.1	N400 G451 K507	N400-H448 PolarHBondContact OD1-N 3.41Å; H448-G451 PolarHBondContact NE2-O 2.98Å; H448-K507 PolarHBondContact O-NZ 2.9Å
449	L	98.9	Very high	97.7	Very high	6 Å²	6	48 Å²	48	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-68.7	169.6	-171.1	62.3	0	0	0	111.2	F427 V436 L489 V502 P504 K507	F427-L449 HydrophobicContact CD1-CD2 3.92Å; F427-L449 HydrophobicContact CE1-CD2 3.79Å; V436-L449 HydrophobicContact CB-CB 4.43Å; V436-L449 HydrophobicContact CB-CD2 4.39Å; V436-L449 HydrophobicContact CG1-CB 4.36Å; V436-L449 HydrophobicContact CG1-CD2 3.74Å; V436-L449 VanDerWaalsContact O-CB 3.24Å; V436-L449 WeakPolarHBondContact O-CB 3.16Å; V436-L449 PolarHBondContact O-N 3Å; L449-L489 HydrophobicContact CD2-CD2 3.82Å; L449-V502 HydrophobicContact CD2-CG1 3.92Å; L449-V502 HydrophobicContact CG-CG1 4.09Å; L449-P504 HydrophobicContact CD1-CB 3.97Å; L449-K507 HydrophobicContact CD1-CG 4.3Å
450	V	98.9	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.1	-178.2	-65.7	0	0	0	0	111.7	T435 V436 G469 A472 L474 V502 K507 C509	T435-V450 WeakPolarHBondContact CA-O 3.38Å; V436-V450 HydrophobicContact CB-CG2 3.89Å; V436-V450 HydrophobicContact CG2-CG2 4.09Å; V436-V450 PolarHBondContact N-O 2.87Å; V436-V450 PolarHBondContact O-N 2.81Å; V450-G469 VanDerWaalsContact CA-O 3.3Å; V450-G469 WeakPolarHBondContact CA-O 3.29Å; V450-A472 HydrophobicContact CB-CB 4.26Å; V450-L474 HydrophobicContact CG2-CD1 4.39Å; V450-V502 HydrophobicContact CG1-CG1 3.91Å; V450-V502 HydrophobicContact CG2-CG1 4.34Å; V450-V502 HydrophobicContact CG2-CG2 3.91Å; V450-K507 HydrophobicContact CG1-CB 4.44Å; V450-K507 VanDerWaalsContact CG1-O 3.23Å; V450-K507 WeakPolarHBondContact CG1-O 3.27Å; V450-C509 HydrophobicContact CB-CB 4.28Å; V450-C509 HydrophobicContact CG1-CB 4.04Å; V450-C509 HydrophobicContact CG2-CB 4.38Å
451	G	98.8	Very high	97.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.2	172.1	177.8	0	0	0	0	0	114	H448 G469 A472	H448-G451 PolarHBondContact NE2-O 2.98Å; G451-G469 PolarHBondContact N-O 3.42Å; G451-A472 VanDerWaalsContact CA-O 3.32Å; G451-A472 WeakPolarHBondContact CA-O 3.3Å
452	G	98	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	70.9	-157.7	171.9	0	0	0	0	0	115.1	S434 I470 K473	S434-G452 PolarHBondContact O-N 3.06Å; G452-I470 WeakPolarHBondContact O-CG1 3.41Å; G452-K473 PolarHBondContact O-NZ 2.96Å
453	E	97.6	Very high	97.9	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	23%	0.227	S	C	.	.			trans	-134.4	175.1	176.3	-81.9	-56.6	147.4	0	0	111.6	N398 A461 I470 K473	N398-E453 PolarHBondContact ND2-O 3.17Å; E453-A461 HydrophobicContact CB-CB 3.77Å; E453-A461 HydrophobicContact CG-CB 3.59Å; E453-I470 VanDerWaalsContact CA-CD1 3.47Å; E453-K473 IonicContact OE1-NZ 3.49Å; E453-K473 PolarHBondContact OE1-NZ 3Å
454	R	97.1	Very high	98.1	Very high	214 Å²	214	48.1 Å²	48.1	81%	0.808	23%	0.229	S	C	*	.	S	Bend	trans	-72.6	-30.1	-179.1	-76.1	-58.8	-167.8	162.5	2.2	113.6	P456 I470	R454-P456 WeakPolarHBondContact O-CD 3.22Å; R454-I470 HydrophobicContact CB-CD1 4.24Å; R454-I470 HydrophobicContact CG-CD1 3.58Å
455	D	98	Very high	98.1	Very high	84 Å²	84	51.7 Å²	51.7	45%	0.449	25%	0.251	S	S	.	.			trans	-68.6	116.7	179.7	179.9	2.4	0	0	0	109.6	M457 N458	D455-M457 PolarHBondContact O-N 3.13Å; D455-M457 PolarHBondContact OD1-N 2.62Å; D455-N458 HydrophobicContact CB-CB 3.89Å; D455-N458 PolarHBondContact O-N 2.86Å
456	P	97.4	Very high	98.1	Very high	31 Å²	31	54.9 Å²	54.9	20%	0.201	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.6	-179.8	28.9	-36.6	0	0	0	113.7	E397 N398 R399 R454	E397-P456 CarbonylContact C-O 3.46Å; N398-P456 PolarHBondContact N-O 2.85Å; R399-P456 HydrophobicContact CB-CB 3.81Å; R399-P456 HydrophobicContact CG-CB 4.16Å; R454-P456 WeakPolarHBondContact O-CD 3.22Å
457	M	97.4	Very high	98.1	Very high	108 Å²	108	55.4 Å²	55.4	53%	0.532	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-11	177.7	-53	-50.1	-59.1	0	0	112.7	E397 R399 D455 L459	E397-M457 HydrophobicContact CG-CE 4.23Å; E397-M457 HydrophobicContact CG-SD 4.09Å; R399-M457 PolarHBondContact NH2-SD 3.05Å; D455-M457 PolarHBondContact O-N 3.13Å; D455-M457 PolarHBondContact OD1-N 2.62Å; M457-L459 PolarHBondContact O-N 3.28Å
458	N	97.6	Very high	98.1	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	27%	0.27	S	S	.	.			trans	-82.5	104.1	-178.1	-175.8	3.8	0	0	0	111	D455 F460	D455-N458 HydrophobicContact CB-CB 3.89Å; D455-N458 PolarHBondContact O-N 2.86Å; N458-F460 PolarHBondContact OD1-N 2.95Å
459	L	97.1	Very high	98.1	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.099	27%	0.265	C	S	.	.			trans	-100.2	13.7	175.3	-54.3	-179.1	0	0	0	113.1	K122 E396 N398 A410 M457	K122-L459 VanDerWaalsContact CE-O 3.27Å; K122-L459 WeakPolarHBondContact CE-O 3.43Å; K122-L459 PolarHBondContact NZ-O 3.28Å; E396-L459 HydrophobicContact CB-CD1 4.46Å; E396-L459 HydrophobicContact CG-CD1 3.82Å; N398-L459 HydrophobicContact CB-CD2 4.43Å; A410-L459 HydrophobicContact CB-CD2 3.82Å; M457-L459 PolarHBondContact O-N 3.28Å
460	F	96.9	Very high	98.1	Very high	113 Å²	113	53 Å²	53	50%	0.496	27%	0.272	S	S	.	.			trans	-113.7	17.9	179.8	-62.6	-95.4	0	0	0	112.2	K122 W162 N458 F462	K122-F460 HydrophobicContact CD-CE1 4.4Å; K122-F460 HydrophobicContact CG-CD1 4.36Å; K122-F460 HydrophobicContact CG-CE1 3.99Å; W162-F460 HydrophobicContact CH2-CE1 4.21Å; W162-F460 HydrophobicContact CH2-CZ 4.41Å; W162-F460 HydrophobicContact CZ3-CE1 4.07Å; W162-F460 AromaticContact CZ3-CZ 3.88Å; W162-F460 HydrophobicContact CZ3-CZ 3.88Å; N458-F460 PolarHBondContact OD1-N 2.95Å; F460-F462 HydrophobicContact CB-CE1 4.06Å; F460-F462 HydrophobicContact CD1-CE1 4.05Å; F460-F462 HydrophobicContact CG-CE1 4.48Å; F460-F462 PolarHBondContact O-N 2.83Å; F460-F462 VanDerWaalsContact O-N 3.13Å
461	A	97.6	Very high	98.1	Very high	7 Å²	7	58.3 Å²	58.3	6%	0.058	30%	0.3	C	S	.	.			trans	-87.4	49.5	-178	0	0	0	0	0	113	E453 K473	E453-A461 HydrophobicContact CB-CB 3.77Å; E453-A461 HydrophobicContact CG-CB 3.59Å; A461-K473 WeakPolarHBondContact O-CD 3.28Å
462	F	98.4	Very high	98.1	Very high	51 Å²	51	58.3 Å²	58.3	22%	0.224	30%	0.3	C	S	.	.			trans	-103.5	168.9	-176.8	53.4	-106.3	0	0	0	112.9	K122 F123 P124 F460 L474 Q475	K122-F462 WeakPolarHBondContact O-CZ 3.37Å; F123-F462 HydrophobicContact CD1-CB 4.01Å; F123-F462 AromaticContact CD1-CD1 3.4Å; F123-F462 HydrophobicContact CD1-CD1 3.4Å; F123-F462 VanDerWaalsContact CD1-CD1 3.4Å; F123-F462 HydrophobicContact CD1-CD2 4.06Å; F123-F462 AromaticContact CD1-CE1 3.77Å; F123-F462 HydrophobicContact CD1-CE1 3.77Å; F123-F462 HydrophobicContact CD1-CE2 4.41Å; F123-F462 AromaticContact CD1-CG 3.55Å; F123-F462 HydrophobicContact CD1-CG 3.55Å; F123-F462 HydrophobicContact CD1-CZ 4.26Å; F123-F462 HydrophobicContact CE1-CB 3.78Å; F123-F462 AromaticContact CE1-CD1 3.25Å; F123-F462 HydrophobicContact CE1-CD1 3.25Å; F123-F462 AromaticContact CE1-CE1 3.92Å; F123-F462 HydrophobicContact CE1-CE1 3.92Å; F123-F462 AromaticContact CE1-CG 3.63Å; F123-F462 HydrophobicContact CE1-CG 3.63Å; F123-F462 HydrophobicContact CZ-CD1 4.31Å; P124-F462 VanDerWaalsContact CD-CE2 3.41Å; P124-F462 HydrophobicContact CG-CD2 4.49Å; P124-F462 HydrophobicContact CG-CE2 3.94Å; F460-F462 HydrophobicContact CB-CE1 4.06Å; F460-F462 HydrophobicContact CD1-CE1 4.05Å; F460-F462 HydrophobicContact CG-CE1 4.48Å; F460-F462 PolarHBondContact O-N 2.83Å; F460-F462 VanDerWaalsContact O-N 3.13Å; F462-L474 CarbonylContact C-O 3.54Å; F462-L474 VanDerWaalsContact CA-O 3.25Å; F462-L474 WeakPolarHBondContact CA-O 3.49Å; F462-L474 WeakPolarHBondContact CB-O 3.23Å; F462-Q475 HydrophobicContact CB-CG 4.34Å
463	G	98.3	Very high	98.1	Very high	18 Å²	18	59.8 Å²	59.8	19%	0.186	31%	0.306	C	S	.	.			trans	158.1	-167.9	177.4	0	0	0	0	0	111.8	K473 L474 N496	G463-K473 CarbonylContact O-C 3.59Å; G463-L474 PolarHBondContact N-O 2.77Å; G463-L474 CarbonylContact O-C 3.58Å; G463-L474 VanDerWaalsContact O-CA 3.29Å; G463-L474 WeakPolarHBondContact O-CA 3.32Å; G463-L474 PolarHBondContact O-N 3.08Å; G463-L474 VanDerWaalsContact O-O 3.08Å; G463-N496 PolarHBondContact O-ND2 2.66Å
464	D	98.8	Very high	98.2	Very high	64 Å²	64	55.9 Å²	55.9	34%	0.342	29%	0.288	S	S	.	.			trans	-130.2	82.4	177.7	-175.1	15.1	0	0	0	109.9	N496 K498 K500	D464-N496 HydrophobicContact CB-CB 4.45Å; D464-K498 IonicContact OD2-NZ 2.72Å; D464-K498 PolarHBondContact OD2-NZ 2.68Å; D464-K500 WeakPolarHBondContact OD1-CE 3.46Å; D464-K500 IonicContact OD1-NZ 3.34Å; D464-K500 PolarHBondContact OD1-NZ 3.3Å
465	V	98.9	Very high	98.3	Very high	74 Å²	74	46.3 Å²	46.3	45%	0.448	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-133.1	123.6	-177.2	-178	0	0	0	0	109.1	A472 K473	V465-A472 CarbonylContact O-C 3.53Å; V465-A472 WeakPolarHBondContact O-CA 3.32Å; V465-K473 HydrophobicContact CB-CB 3.97Å; V465-K473 HydrophobicContact CB-CG 4.15Å; V465-K473 HydrophobicContact CG2-CB 4.15Å; V465-K473 HydrophobicContact CG2-CG 4.2Å; V465-K473 PolarHBondContact N-O 3.38Å; V465-K473 PolarHBondContact O-N 2.98Å
466	D	98.9	Very high	98.3	Very high	70 Å²	70	42.5 Å²	42.5	37%	0.374	23%	0.232	S	C	.	.			trans	-77.3	138.7	170.3	-69.7	-9	0	0	0	109.8	K500 C509 T510 T511	D466-K500 IonicContact OD1-NZ 3.35Å; D466-K500 PolarHBondContact OD1-NZ 3.23Å; D466-C509 CarbonylContact C-O 3.53Å; D466-C509 WeakPolarHBondContact CA-O 3.32Å; D466-C509 WeakPolarHBondContact CB-O 3.39Å; D466-T510 HydrophobicContact CB-CG2 4.35Å; D466-T510 VanDerWaalsContact CG-CA 3.46Å; D466-T510 WeakPolarHBondContact OD2-CA 3.34Å; D466-T511 VanDerWaalsContact CG-N 3.29Å; D466-T511 PolarHBondContact OD1-N 2.96Å; D466-T511 PolarHBondContact OD1-OG1 3.41Å; D466-T511 VanDerWaalsContact OD1-OG1 3.08Å; D466-T511 PolarHBondContact OD2-N 2.88Å; D466-T511 PolarHBondContact OD2-OG1 3.28Å; D466-T511 VanDerWaalsContact OD2-OG1 3.1Å
467	G	98.7	Very high	98.4	Very high	14 Å²	14	41 Å²	41	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-173.2	-176.7	0	0	0	0	0	114.6	N508 C509	G467-N508 PolarHBondContact O-OD1 3.18Å; G467-C509 PolarHBondContact N-O 3.03Å; G467-C509 PolarHBondContact O-N 2.91Å
468	V	98.8	Very high	98.4	Very high	75 Å²	75	36.9 Å²	36.9	46%	0.455	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.1	-175.2	-179.7	0	0	0	0	111.5	I470 N471 T506 K507 N508	V468-I470 PolarHBondContact O-N 2.8Å; V468-N471 WeakPolarHBondContact O-CB 3.21Å; V468-N471 PolarHBondContact O-N 3.36Å; V468-N471 VanDerWaalsContact O-N 3.13Å; V468-T506 WeakPolarHBondContact CG1-O 3.42Å; V468-K507 CarbonylContact C-O 3.6Å; V468-K507 WeakPolarHBondContact CA-O 3.44Å; V468-K507 HydrophobicContact CG1-CB 4.28Å; V468-N508 HydrophobicContact CG2-CB 4.14Å
469	G	98.5	Very high	98.5	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	59.2	-117.7	174.4	0	0	0	0	0	112.2	V450 G451 N471 A472 K507	V450-G469 VanDerWaalsContact CA-O 3.3Å; V450-G469 WeakPolarHBondContact CA-O 3.29Å; G451-G469 PolarHBondContact N-O 3.42Å; G469-N471 VanDerWaalsContact C-N 3.26Å; G469-N471 PolarHBondContact O-N 3.14Å; G469-A472 PolarHBondContact O-N 3.15Å; G469-K507 PolarHBondContact N-O 2.84Å
470	I	98.1	Very high	98.6	Very high	36 Å²	36	34 Å²	34	19%	0.185	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-71.8	-19.2	-177.8	-163.4	161.8	0	0	0	113.4	G452 E453 R454 V468 A472 K473	G452-I470 WeakPolarHBondContact O-CG1 3.41Å; E453-I470 VanDerWaalsContact CA-CD1 3.47Å; R454-I470 HydrophobicContact CB-CD1 4.24Å; R454-I470 HydrophobicContact CG-CD1 3.58Å; V468-I470 PolarHBondContact O-N 2.8Å; I470-A472 VanDerWaalsContact C-N 3.27Å; I470-K473 PolarHBondContact O-NZ 3.28Å
471	N	98.6	Very high	98.7	Very high	111 Å²	111	29 Å²	29	59%	0.594	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-74.3	-25.2	178.3	-63.1	-10.9	0	0	0	111.4	V468 G469	V468-N471 WeakPolarHBondContact O-CB 3.21Å; V468-N471 PolarHBondContact O-N 3.36Å; V468-N471 VanDerWaalsContact O-N 3.13Å; G469-N471 VanDerWaalsContact C-N 3.26Å; G469-N471 PolarHBondContact O-N 3.14Å
472	A	98.8	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.			trans	-66.3	143.2	168.6	0	0	0	0	0	109.7	V450 G451 V465 G469 I470 C509	V450-A472 HydrophobicContact CB-CB 4.26Å; G451-A472 VanDerWaalsContact CA-O 3.32Å; G451-A472 WeakPolarHBondContact CA-O 3.3Å; V465-A472 CarbonylContact O-C 3.53Å; V465-A472 WeakPolarHBondContact O-CA 3.32Å; G469-A472 PolarHBondContact O-N 3.15Å; I470-A472 VanDerWaalsContact C-N 3.27Å; A472-C509 HydrophobicContact CB-CB 3.69Å
473	K	98.9	Very high	98.7	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.13	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-126.8	136.3	173.1	-65.3	-69.1	-175.4	-104.3	0	109.3	G452 E453 A461 G463 V465 I470	G452-K473 PolarHBondContact O-NZ 2.96Å; E453-K473 IonicContact OE1-NZ 3.49Å; E453-K473 PolarHBondContact OE1-NZ 3Å; A461-K473 WeakPolarHBondContact O-CD 3.28Å; G463-K473 CarbonylContact O-C 3.59Å; V465-K473 HydrophobicContact CB-CB 3.97Å; V465-K473 HydrophobicContact CB-CG 4.15Å; V465-K473 HydrophobicContact CG2-CB 4.15Å; V465-K473 HydrophobicContact CG2-CG 4.2Å; V465-K473 PolarHBondContact N-O 3.38Å; V465-K473 PolarHBondContact O-N 2.98Å; I470-K473 PolarHBondContact O-NZ 3.28Å
474	L	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.			trans	-121.4	168.1	177.9	-56.9	174.1	0	0	0	108.1	S434 V436 V450 F462 G463 P477 D493 K500	S434-L474 WeakPolarHBondContact CB-O 3.3Å; V436-L474 HydrophobicContact CG2-CD1 3.9Å; V450-L474 HydrophobicContact CG2-CD1 4.39Å; F462-L474 CarbonylContact C-O 3.54Å; F462-L474 VanDerWaalsContact CA-O 3.25Å; F462-L474 WeakPolarHBondContact CA-O 3.49Å; F462-L474 WeakPolarHBondContact CB-O 3.23Å; G463-L474 PolarHBondContact N-O 2.77Å; G463-L474 CarbonylContact O-C 3.58Å; G463-L474 VanDerWaalsContact O-CA 3.29Å; G463-L474 WeakPolarHBondContact O-CA 3.32Å; G463-L474 PolarHBondContact O-N 3.08Å; G463-L474 VanDerWaalsContact O-O 3.08Å; L474-P477 HydrophobicContact CB-CG 4.33Å; L474-P477 HydrophobicContact CD1-CG 4.14Å; L474-D493 WeakPolarHBondContact CA-OD1 3.41Å; L474-D493 WeakPolarHBondContact CB-OD1 3.44Å; L474-D493 HydrophobicContact CD2-CB 4.32Å; L474-K500 HydrophobicContact CD2-CG 4.01Å
475	Q	98.9	Very high	98.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.056	18%	0.18	C	C	.	.	S	Bend	trans	-136.6	106.8	174.3	-159.3	178.1	123.6	0	0	109.8	F123 N125 F462 D493 Y495 N496	F123-Q475 HydrophobicContact CB-CG 4.33Å; F123-Q475 HydrophobicContact CD1-CG 3.66Å; F123-Q475 HydrophobicContact CE1-CG 4.35Å; F123-Q475 HydrophobicContact CG-CG 4.28Å; N125-Q475 VanDerWaalsContact CB-OE1 3.23Å; F462-Q475 HydrophobicContact CB-CG 4.34Å; Q475-D493 PolarHBondContact N-OD1 2.81Å; Q475-Y495 HydrophobicContact CG-CD2 4.39Å; Q475-Y495 WeakPolarHBondContact O-CB 3.43Å; Q475-Y495 PolarHBondContact O-N 3.26Å; Q475-Y495 VanDerWaalsContact O-N 3.12Å; Q475-N496 VanDerWaalsContact CB-OD1 3.23Å; Q475-N496 WeakPolarHBondContact CB-OD1 3.41Å; Q475-N496 PolarHBondContact N-ND2 2.87Å; Q475-N496 PolarHBondContact NE2-OD1 2.67Å
476	H	98.8	Very high	98.5	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.023	17%	0.171	C	C	.	.	S	Bend	trans	45.6	57.7	177.7	-157.1	91.2	0	0	0	113.7	F123 S431 E432 S434 L478 S494 Y495	F123-H476 HydrophobicContact CE2-CB 4.29Å; F123-H476 AromaticContact CE2-ND1 3.66Å; F123-H476 HydrophobicContact CZ-CB 4.25Å; F123-H476 AromaticContact CZ-ND1 3.98Å; S431-H476 WeakPolarHBondContact O-CA 3.34Å; E432-H476 IonicContact OE1-CE1 2.68Å; E432-H476 PolarHBondContact OE1-CE1 3.28Å; E432-H476 IonicContact OE1-ND1 3.78Å; E432-H476 PolarHBondContact OE1-ND1 2.9Å; S434-H476 PolarHBondContact OG-N 2.88Å; S434-H476 VanDerWaalsContact OG-N 3.08Å; H476-L478 PolarHBondContact O-N 3.42Å; H476-S494 WeakPolarHBondContact O-CB 3.41Å; H476-Y495 HydrophobicContact CB-CD1 4.23Å; H476-Y495 HydrophobicContact CB-CD2 3.48Å; H476-Y495 VanDerWaalsContact CB-CD2 3.48Å; H476-Y495 HydrophobicContact CB-CE1 4.42Å; H476-Y495 HydrophobicContact CB-CE2 3.71Å; H476-Y495 HydrophobicContact CB-CG 3.76Å; H476-Y495 AromaticContact CD2-CZ 3.85Å; H476-Y495 AromaticContact CG-CE2 3.85Å; H476-Y495 AromaticContact CG-CZ 3.99Å
477	P	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.			trans	-67.2	129.1	-179.1	29.6	-35	0	0	0	110.7	S431 L474 V491 A492	S431-P477 WeakPolarHBondContact CB-O 3.25Å; S431-P477 PolarHBondContact OG-O 2.77Å; L474-P477 HydrophobicContact CB-CG 4.33Å; L474-P477 HydrophobicContact CD1-CG 4.14Å; P477-V491 HydrophobicContact CB-CG1 3.86Å; P477-A492 VanDerWaalsContact CA-O 3.29Å; P477-A492 WeakPolarHBondContact CA-O 3.33Å
478	L	98.9	Very high	98.5	Very high	21 Å²	21	35 Å²	35	11%	0.11	17%	0.172	C	C	.	.			trans	-104.2	-19.2	-177.4	-65.5	173.4	0	0	0	113.8	K228 S413 G414 H476 A492 S494 G535	K228-L478 PolarHBondContact NZ-O 2.82Å; S413-L478 CarbonylContact C-O 3.51Å; S413-L478 VanDerWaalsContact C-O 3.24Å; G414-L478 WeakPolarHBondContact CA-O 3Å; G414-L478 PolarHBondContact N-O 3.06Å; H476-L478 PolarHBondContact O-N 3.42Å; L478-A492 PolarHBondContact N-O 2.83Å; L478-S494 WeakPolarHBondContact CB-OG 3.5Å; L478-S494 WeakPolarHBondContact CG-OG 3.37Å; L478-S494 PolarHBondContact N-OG 3.01Å; L478-G535 VanDerWaalsContact CB-O 3.23Å; L478-G535 WeakPolarHBondContact CB-O 3.48Å
479	G	98.9	Very high	98.5	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.4	-173.5	0	0	0	0	0	113.5	V491 A492 L537	G479-V491 CarbonylContact O-C 3.53Å; G479-V491 WeakPolarHBondContact O-CA 3.29Å; G479-A492 PolarHBondContact O-N 3.05Å; G479-L537 WeakPolarHBondContact O-CD2 3.41Å
480	V	98.9	Very high	98.5	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.4	166.8	-72.4	0	0	0	0	110.1	F427 A429 V436 L489 Y490 V491	F427-V480 HydrophobicContact CB-CG2 4.2Å; A429-V480 HydrophobicContact CB-CG1 3.91Å; A429-V480 HydrophobicContact CB-CG2 4.42Å; V436-V480 HydrophobicContact CG1-CG1 4.21Å; V436-V480 HydrophobicContact CG2-CG1 4.26Å; V480-L489 HydrophobicContact CB-CD1 4.15Å; V480-L489 HydrophobicContact CB-CG 4.45Å; V480-L489 HydrophobicContact CG1-CD2 4.23Å; V480-Y490 CarbonylContact C-O 3.56Å; V480-Y490 VanDerWaalsContact CA-O 3.27Å; V480-Y490 WeakPolarHBondContact CA-O 3.42Å; V480-V491 HydrophobicContact CG1-CB 4.49Å; V480-V491 HydrophobicContact CG1-CG1 4.18Å; V480-V491 HydrophobicContact CG1-CG2 4.17Å
481	T	98.9	Very high	98.6	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	132.6	170.8	-164.1	0	0	0	0	111.6	S416 Y490 L537 I539 L546	S416-T481 WeakPolarHBondContact OG-CA 3.49Å; T481-Y490 HydrophobicContact CG2-CD2 4.11Å; T481-Y490 PolarHBondContact N-O 2.98Å; T481-Y490 PolarHBondContact O-N 2.72Å; T481-L537 HydrophobicContact CG2-CD1 4.25Å; T481-L537 HydrophobicContact CG2-CG 3.83Å; T481-I539 HydrophobicContact CG2-CB 4.23Å; T481-I539 PolarHBondContact OG1-N 3.43Å; T481-L546 HydrophobicContact CG2-CD1 3.54Å
482	W	98.8	Very high	98.6	Very high	15 Å²	15	24.3 Å²	24.3	6%	0.057	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.1	-175.3	173.3	-116.9	0	0	0	112	S416 A418 E420 W423 F427 N487 L488 L489 P504 I539	S416-W482 WeakPolarHBondContact OG-CB 3.42Å; S416-W482 PolarHBondContact OG-N 3.3Å; A418-W482 HydrophobicContact CB-CD2 3.93Å; A418-W482 HydrophobicContact CB-CG 3.82Å; A418-W482 HydrophobicContact CB-CZ2 4.43Å; E420-W482 PolarHBondContact OE1-NE1 3.25Å; W423-W482 AromaticContact CD1-CH2 3.98Å; W423-W482 AromaticContact CD1-CZ2 3.46Å; W423-W482 VanDerWaalsContact CD1-CZ2 3.46Å; W423-W482 HydrophobicContact CD2-CH2 4.16Å; W423-W482 HydrophobicContact CD2-CZ2 4.38Å; W423-W482 AromaticContact CE2-CH2 3.63Å; W423-W482 AromaticContact CE2-CZ2 3.91Å; W423-W482 HydrophobicContact CG-CH2 4.36Å; W423-W482 HydrophobicContact CG-CZ2 4.13Å; W423-W482 AromaticContact CZ2-CH2 3.94Å; W423-W482 HydrophobicContact CZ2-CH2 3.94Å; W423-W482 AromaticContact NE1-CH2 3.53Å; W423-W482 AromaticContact NE1-CZ2 3.31Å; W423-W482 VanDerWaalsContact NE1-CZ2 3.31Å; F427-W482 HydrophobicContact CD2-CB 4.31Å; F427-W482 HydrophobicContact CD2-CE3 4.37Å; F427-W482 HydrophobicContact CE2-CB 4.43Å; F427-W482 AromaticContact CE2-CD2 3.85Å; F427-W482 HydrophobicContact CE2-CD2 3.85Å; F427-W482 AromaticContact CE2-CE3 3.53Å; F427-W482 HydrophobicContact CE2-CE3 3.53Å; F427-W482 HydrophobicContact CE2-CG 4.25Å; F427-W482 HydrophobicContact CE2-CZ3 4.06Å; F427-W482 HydrophobicContact CZ-CE3 4.02Å; F427-W482 HydrophobicContact CZ-CZ3 4.11Å; W482-N487 HydrophobicContact CH2-CB 3.83Å; W482-N487 HydrophobicContact CZ2-CB 4.25Å; W482-N487 VanDerWaalsContact CZ3-C 3.43Å; W482-L488 VanDerWaalsContact CE3-O 3.23Å; W482-L489 HydrophobicContact CB-CD1 4.3Å; W482-L489 HydrophobicContact CE3-CB 4.3Å; W482-L489 HydrophobicContact CE3-CD1 4.38Å; W482-P504 HydrophobicContact CH2-CG 4Å; W482-P504 HydrophobicContact CZ3-CG 3.65Å; W482-I539 WeakPolarHBondContact O-CG2 3.49Å
483	D	98.5	Very high	98.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.011	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	97.8	172.5	179.8	1	0	0	0	111	K485 R486 N487 L488 Y490	D483-K485 PolarHBondContact O-N 3.07Å; D483-K485 WeakPolarHBondContact OD1-CA 3.39Å; D483-K485 VanDerWaalsContact OD1-CB 3.27Å; D483-K485 WeakPolarHBondContact OD1-CB 3.39Å; D483-K485 PolarHBondContact OD1-N 3.07Å; D483-R486 PolarHBondContact O-N 3.37Å; D483-R486 PolarHBondContact OD1-N 3.34Å; D483-R486 WeakPolarHBondContact OD2-CB 3.03Å; D483-R486 WeakPolarHBondContact OD2-CD 3.48Å; D483-R486 VanDerWaalsContact OD2-CG 3.27Å; D483-R486 WeakPolarHBondContact OD2-CG 3.3Å; D483-R486 IonicContact OD2-CZ 2.78Å; D483-R486 IonicContact OD2-NH1 2.81Å; D483-R486 PolarHBondContact OD2-NH1 3.11Å; D483-N487 VanDerWaalsContact O-CA 3.31Å; D483-N487 WeakPolarHBondContact O-CA 3.49Å; D483-N487 PolarHBondContact O-N 3.16Å; D483-L488 WeakPolarHBondContact CB-O 3.23Å; D483-L488 PolarHBondContact N-O 3.1Å; D483-L488 PolarHBondContact O-N 2.77Å; D483-Y490 HydrophobicContact CB-CD2 4.43Å; D483-Y490 HydrophobicContact CB-CE2 3.75Å; D483-Y490 PolarHBondContact OD2-OH 3Å
484	K	96.7	Very high	98.6	Very high	112 Å²	112	22.9 Å²	22.9	49%	0.487	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.8	175.9	69	-170.3	-176.6	-167	0	113.8	E541	K484-E541 IonicContact NZ-OE1 2.78Å; K484-E541 PolarHBondContact NZ-OE1 3.2Å; K484-E541 IonicContact NZ-OE2 3.7Å; K484-E541 PolarHBondContact NZ-OE2 3.16Å
485	K	96.8	Very high	98.6	Very high	125 Å²	125	23.4 Å²	23.4	54%	0.543	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-44.3	-177.9	-178.5	-173.5	178.5	-173.2	0	110.8	D483 E562	D483-K485 PolarHBondContact O-N 3.07Å; D483-K485 WeakPolarHBondContact OD1-CA 3.39Å; D483-K485 VanDerWaalsContact OD1-CB 3.27Å; D483-K485 WeakPolarHBondContact OD1-CB 3.39Å; D483-K485 PolarHBondContact OD1-N 3.07Å; K485-E562 IonicContact NZ-OE1 3.92Å
486	R	97.7	Very high	98.6	Very high	68 Å²	68	23.5 Å²	23.5	26%	0.257	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.6	-176.6	-60.8	-175.4	-172.9	79.3	-2.2	113.6	D483 L488 G543 E562	D483-R486 PolarHBondContact O-N 3.37Å; D483-R486 PolarHBondContact OD1-N 3.34Å; D483-R486 WeakPolarHBondContact OD2-CB 3.03Å; D483-R486 WeakPolarHBondContact OD2-CD 3.48Å; D483-R486 VanDerWaalsContact OD2-CG 3.27Å; D483-R486 WeakPolarHBondContact OD2-CG 3.3Å; D483-R486 IonicContact OD2-CZ 2.78Å; D483-R486 IonicContact OD2-NH1 2.81Å; D483-R486 PolarHBondContact OD2-NH1 3.11Å; R486-L488 VanDerWaalsContact C-N 3.28Å; R486-L488 HydrophobicContact CB-CB 4.32Å; R486-L488 HydrophobicContact CB-CD1 3.81Å; R486-L488 HydrophobicContact CB-CG 3.93Å; R486-G543 VanDerWaalsContact CZ-O 3.25Å; R486-G543 PolarHBondContact NH1-O 3.12Å; R486-G543 PolarHBondContact NH2-O 3.29Å; R486-E562 IonicContact CZ-OE1 2.82Å; R486-E562 IonicContact NH2-OE1 4Å; R486-E562 PolarHBondContact NH2-OE1 3.47Å
487	N	98.3	Very high	98.6	Very high	59 Å²	59	23.9 Å²	23.9	32%	0.316	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	43.4	-169.5	-63.2	-81.1	0	0	0	112.2	W423 W482 D483 P504	W423-N487 HydrophobicContact CZ2-CB 4.04Å; W423-N487 PolarHBondContact NE1-OD1 2.87Å; W482-N487 HydrophobicContact CH2-CB 3.83Å; W482-N487 HydrophobicContact CZ2-CB 4.25Å; W482-N487 VanDerWaalsContact CZ3-C 3.43Å; D483-N487 VanDerWaalsContact O-CA 3.31Å; D483-N487 WeakPolarHBondContact O-CA 3.49Å; D483-N487 PolarHBondContact O-N 3.16Å; N487-P504 WeakPolarHBondContact O-CD 3.4Å
488	L	98.8	Very high	98.6	Very high	42 Å²	42	25.2 Å²	25.2	22%	0.22	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.6	-179	-66.8	174.8	0	0	0	110.1	W482 D483 R486 V501 D503	W482-L488 VanDerWaalsContact CE3-O 3.23Å; D483-L488 WeakPolarHBondContact CB-O 3.23Å; D483-L488 PolarHBondContact N-O 3.1Å; D483-L488 PolarHBondContact O-N 2.77Å; R486-L488 VanDerWaalsContact C-N 3.28Å; R486-L488 HydrophobicContact CB-CB 4.32Å; R486-L488 HydrophobicContact CB-CD1 3.81Å; R486-L488 HydrophobicContact CB-CG 3.93Å; L488-V501 HydrophobicContact CB-CG2 4.09Å; L488-V501 HydrophobicContact CD1-CG2 3.99Å; L488-V501 HydrophobicContact CD2-CG2 4.17Å; L488-V501 HydrophobicContact CG-CG2 4.31Å; L488-D503 HydrophobicContact CD2-CB 4.01Å
489	L	98.9	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.6	172.1	-173.8	75.4	0	0	0	108.9	F427 V436 L449 V480 W482 V491 V501 V502	F427-L489 HydrophobicContact CB-CD1 3.85Å; F427-L489 HydrophobicContact CB-CD2 4.14Å; F427-L489 HydrophobicContact CD1-CD1 4.16Å; F427-L489 HydrophobicContact CD1-CD2 3.63Å; F427-L489 HydrophobicContact CD1-CG 4.48Å; F427-L489 HydrophobicContact CD2-CD1 3.61Å; F427-L489 HydrophobicContact CE1-CD2 4.14Å; F427-L489 HydrophobicContact CE2-CD1 4.13Å; F427-L489 HydrophobicContact CG-CD1 3.61Å; F427-L489 HydrophobicContact CG-CD2 3.89Å; F427-L489 HydrophobicContact CG-CG 4.38Å; V436-L489 HydrophobicContact CG1-CD2 3.66Å; L449-L489 HydrophobicContact CD2-CD2 3.82Å; V480-L489 HydrophobicContact CB-CD1 4.15Å; V480-L489 HydrophobicContact CB-CG 4.45Å; V480-L489 HydrophobicContact CG1-CD2 4.23Å; W482-L489 HydrophobicContact CB-CD1 4.3Å; W482-L489 HydrophobicContact CE3-CB 4.3Å; W482-L489 HydrophobicContact CE3-CD1 4.38Å; L489-V491 HydrophobicContact CD2-CG2 4.4Å; L489-V501 CarbonylContact O-C 3.57Å; L489-V501 WeakPolarHBondContact O-CA 3.2Å; L489-V502 HydrophobicContact CB-CB 4.26Å; L489-V502 PolarHBondContact N-O 3.1Å; L489-V502 PolarHBondContact O-N 2.87Å
490	Y	98.9	Very high	98.6	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.02	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.6	170.7	-55.4	-61.1	0	0	0	109.6	V480 T481 D483 K500 V501 L512 I539 L546 L561	V480-Y490 CarbonylContact C-O 3.56Å; V480-Y490 VanDerWaalsContact CA-O 3.27Å; V480-Y490 WeakPolarHBondContact CA-O 3.42Å; T481-Y490 HydrophobicContact CG2-CD2 4.11Å; T481-Y490 PolarHBondContact N-O 2.98Å; T481-Y490 PolarHBondContact O-N 2.72Å; D483-Y490 HydrophobicContact CB-CD2 4.43Å; D483-Y490 HydrophobicContact CB-CE2 3.75Å; D483-Y490 PolarHBondContact OD2-OH 3Å; Y490-K500 WeakPolarHBondContact CA-O 3.33Å; Y490-V501 HydrophobicContact CD1-CB 4.01Å; Y490-V501 HydrophobicContact CD1-CG2 3.91Å; Y490-V501 HydrophobicContact CE1-CB 4.13Å; Y490-V501 HydrophobicContact CE1-CG2 3.69Å; Y490-L512 HydrophobicContact CD1-CD2 3.63Å; Y490-L512 HydrophobicContact CE1-CD2 3.66Å; Y490-I539 HydrophobicContact CE2-CD1 4.08Å; Y490-L546 HydrophobicContact CD1-CD2 4.44Å; Y490-L546 HydrophobicContact CD2-CD1 4.25Å; Y490-L546 HydrophobicContact CD2-CD2 4.03Å; Y490-L546 HydrophobicContact CG-CD2 3.92Å; Y490-L561 HydrophobicContact CE1-CD2 4.5Å; Y490-L561 HydrophobicContact CE2-CD1 3.87Å; Y490-L561 WeakPolarHBondContact OH-CD1 3.4Å
491	V	99	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.4	-177.8	-170.6	0	0	0	0	108.2	V436 P477 G479 V480 L489 D493 I499 K500 V502	V436-V491 HydrophobicContact CG2-CG1 4.02Å; V436-V491 HydrophobicContact CG2-CG2 3.98Å; P477-V491 HydrophobicContact CB-CG1 3.86Å; G479-V491 CarbonylContact O-C 3.53Å; G479-V491 WeakPolarHBondContact O-CA 3.29Å; V480-V491 HydrophobicContact CG1-CB 4.49Å; V480-V491 HydrophobicContact CG1-CG1 4.18Å; V480-V491 HydrophobicContact CG1-CG2 4.17Å; L489-V491 HydrophobicContact CD2-CG2 4.4Å; V491-D493 PolarHBondContact O-N 3.27Å; V491-I499 CarbonylContact O-C 3.56Å; V491-I499 WeakPolarHBondContact O-CA 3.4Å; V491-K500 HydrophobicContact CB-CB 4.2Å; V491-K500 PolarHBondContact N-O 2.75Å; V491-K500 PolarHBondContact O-N 2.84Å; V491-V502 HydrophobicContact CG2-CG2 3.84Å
492	A	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	100.5	163.9	0	0	0	0	0	107.7	P477 L478 G479 S494 I499 P534 L537	P477-A492 VanDerWaalsContact CA-O 3.29Å; P477-A492 WeakPolarHBondContact CA-O 3.33Å; L478-A492 PolarHBondContact N-O 2.83Å; G479-A492 PolarHBondContact O-N 3.05Å; A492-S494 VanDerWaalsContact C-N 3.33Å; A492-S494 PolarHBondContact O-N 3.41Å; A492-S494 PolarHBondContact O-OG 2.98Å; A492-I499 HydrophobicContact CB-CD1 4.17Å; A492-P534 HydrophobicContact CB-CB 4.32Å; A492-P534 HydrophobicContact CB-CG 4.32Å; A492-L537 HydrophobicContact CB-CD1 4.28Å; A492-L537 HydrophobicContact CB-CD2 3.74Å; A492-L537 HydrophobicContact CB-CG 4.47Å
493	D	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	78	178.9	-171.1	19.1	0	0	0	108.4	L474 Q475 V491 Y495 N496 H497 K498 K500	L474-D493 WeakPolarHBondContact CA-OD1 3.41Å; L474-D493 WeakPolarHBondContact CB-OD1 3.44Å; L474-D493 HydrophobicContact CD2-CB 4.32Å; Q475-D493 PolarHBondContact N-OD1 2.81Å; V491-D493 PolarHBondContact O-N 3.27Å; D493-Y495 PolarHBondContact O-N 3.05Å; D493-N496 VanDerWaalsContact CG-ND2 3.34Å; D493-N496 PolarHBondContact O-N 3.44Å; D493-N496 VanDerWaalsContact O-N 3.16Å; D493-N496 PolarHBondContact OD1-ND2 2.89Å; D493-N496 PolarHBondContact OD2-ND2 2.76Å; D493-H497 PolarHBondContact O-N 3.04Å; D493-K498 PolarHBondContact N-O 3.46Å; D493-K498 PolarHBondContact O-N 2.77Å; D493-K500 HydrophobicContact CB-CG 3.66Å; D493-K500 WeakPolarHBondContact OD2-CE 3.41Å
494	S	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-61.8	-46.2	-152.6	-53.2	0	0	0	0	113.6	H476 L478 A492 N496 H497 E533 P534	H476-S494 WeakPolarHBondContact O-CB 3.41Å; L478-S494 WeakPolarHBondContact CB-OG 3.5Å; L478-S494 WeakPolarHBondContact CG-OG 3.37Å; L478-S494 PolarHBondContact N-OG 3.01Å; A492-S494 VanDerWaalsContact C-N 3.33Å; A492-S494 PolarHBondContact O-N 3.41Å; A492-S494 PolarHBondContact O-OG 2.98Å; S494-N496 VanDerWaalsContact C-N 3.32Å; S494-H497 PolarHBondContact O-N 2.78Å; S494-H497 VanDerWaalsContact O-N 3.12Å; S494-H497 PolarHBondContact O-ND1 2.56Å; S494-E533 WeakPolarHBondContact O-CA 3.45Å; S494-P534 WeakPolarHBondContact CB-O 3.34Å; S494-P534 PolarHBondContact OG-O 3.12Å
495	Y	98.8	Very high	98.6	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.043	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-83.4	-9.8	-177.5	-73	6.9	0	0	0	113.4	Y88 C89 F123 N125 E126 Q475 H476 D493 H497 E533	Y88-Y495 WeakPolarHBondContact CD2-OH 3.46Å; Y88-Y495 HydrophobicContact CE2-CE1 4.17Å; Y88-Y495 AromaticContact CE2-CZ 3.69Å; Y88-Y495 WeakPolarHBondContact CE2-OH 3.37Å; C89-Y495 WeakPolarHBondContact CA-OH 3.46Å; C89-Y495 HydrophobicContact CB-CE2 3.9Å; C89-Y495 WeakPolarHBondContact CB-OH 3.38Å; F123-Y495 HydrophobicContact CB-CD2 3.89Å; F123-Y495 HydrophobicContact CB-CE2 4.26Å; F123-Y495 HydrophobicContact CD2-CD2 4.09Å; F123-Y495 AromaticContact CD2-CE2 3.88Å; F123-Y495 HydrophobicContact CD2-CE2 3.88Å; F123-Y495 AromaticContact CG-CD2 4Å; F123-Y495 HydrophobicContact CG-CD2 4Å; F123-Y495 HydrophobicContact CG-CE2 4.24Å; N125-Y495 HydrophobicContact CB-CD2 3.99Å; N125-Y495 HydrophobicContact CB-CG 3.87Å; N125-Y495 WeakPolarHBondContact ND2-CD1 3.43Å; E126-Y495 HydrophobicContact CG-CD2 4.43Å; E126-Y495 HydrophobicContact CG-CE2 3.79Å; Q475-Y495 HydrophobicContact CG-CD2 4.39Å; Q475-Y495 WeakPolarHBondContact O-CB 3.43Å; Q475-Y495 PolarHBondContact O-N 3.26Å; Q475-Y495 VanDerWaalsContact O-N 3.12Å; H476-Y495 HydrophobicContact CB-CD1 4.23Å; H476-Y495 HydrophobicContact CB-CD2 3.48Å; H476-Y495 VanDerWaalsContact CB-CD2 3.48Å; H476-Y495 HydrophobicContact CB-CE1 4.42Å; H476-Y495 HydrophobicContact CB-CE2 3.71Å; H476-Y495 HydrophobicContact CB-CG 3.76Å; H476-Y495 AromaticContact CD2-CZ 3.85Å; H476-Y495 AromaticContact CG-CE2 3.85Å; H476-Y495 AromaticContact CG-CZ 3.99Å; D493-Y495 PolarHBondContact O-N 3.05Å; Y495-H497 VanDerWaalsContact C-N 3.29Å; Y495-E533 HydrophobicContact CD1-CG 4.03Å; Y495-E533 HydrophobicContact CE1-CG 4.21Å
496	N	98.9	Very high	98.7	Very high	14 Å²	14	25.8 Å²	25.8	8%	0.075	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-89.8	1.1	165.2	-69.5	-28.5	0	0	0	112	G463 D464 Q475 D493 S494 K498	G463-N496 PolarHBondContact O-ND2 2.66Å; D464-N496 HydrophobicContact CB-CB 4.45Å; Q475-N496 VanDerWaalsContact CB-OD1 3.23Å; Q475-N496 WeakPolarHBondContact CB-OD1 3.41Å; Q475-N496 PolarHBondContact N-ND2 2.87Å; Q475-N496 PolarHBondContact NE2-OD1 2.67Å; D493-N496 VanDerWaalsContact CG-ND2 3.34Å; D493-N496 PolarHBondContact O-N 3.44Å; D493-N496 VanDerWaalsContact O-N 3.16Å; D493-N496 PolarHBondContact OD1-ND2 2.89Å; D493-N496 PolarHBondContact OD2-ND2 2.76Å; S494-N496 VanDerWaalsContact C-N 3.32Å; N496-K498 VanDerWaalsContact O-CG 3.32Å; N496-K498 WeakPolarHBondContact O-CG 3.04Å; N496-K498 PolarHBondContact O-N 3.47Å
497	H	98.8	Very high	98.8	Very high	13 Å²	13	26.5 Å²	26.5	6%	0.06	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	35.4	179.5	-50.1	-47.4	0	0	0	113.3	N125 D493 S494 Y495 G516 T518 F531 E533	N125-H497 PolarHBondContact OD1-CE1 3.37Å; N125-H497 PolarHBondContact OD1-NE2 2.73Å; D493-H497 PolarHBondContact O-N 3.04Å; S494-H497 PolarHBondContact O-N 2.78Å; S494-H497 VanDerWaalsContact O-N 3.12Å; S494-H497 PolarHBondContact O-ND1 2.56Å; Y495-H497 VanDerWaalsContact C-N 3.29Å; H497-G516 PolarHBondContact CD2-O 3.12Å; H497-G516 VanDerWaalsContact CD2-O 3.31Å; H497-T518 VanDerWaalsContact CD2-CG2 3.46Å; H497-T518 WeakPolarHBondContact CD2-CG2 3.44Å; H497-T518 VanDerWaalsContact NE2-CG2 3.33Å; H497-T518 WeakPolarHBondContact NE2-CG2 3.36Å; H497-F531 WeakPolarHBondContact CB-O 3.45Å; H497-E533 PolarHBondContact ND1-N 3.19Å
498	K	98.9	Very high	98.8	Very high	28 Å²	28	26.5 Å²	26.5	12%	0.122	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.7	-170.6	-81.1	170.4	-175.6	177.3	0	112.5	D464 D493 N496 T511 G514 T515	D464-K498 IonicContact OD2-NZ 2.72Å; D464-K498 PolarHBondContact OD2-NZ 2.68Å; D493-K498 PolarHBondContact N-O 3.46Å; D493-K498 PolarHBondContact O-N 2.77Å; N496-K498 VanDerWaalsContact O-CG 3.32Å; N496-K498 WeakPolarHBondContact O-CG 3.04Å; N496-K498 PolarHBondContact O-N 3.47Å; K498-T511 HydrophobicContact CD-CG2 4Å; K498-T511 HydrophobicContact CG-CG2 4.26Å; K498-G514 VanDerWaalsContact CE-O 3.28Å; K498-G514 WeakPolarHBondContact CE-O 3.33Å; K498-G514 WeakPolarHBondContact CG-O 3.18Å; K498-T515 VanDerWaalsContact CE-O 3.3Å; K498-T515 WeakPolarHBondContact CE-O 3.49Å
499	I	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.1	163.2	-52.8	-56.1	0	0	0	107.4	V491 A492 L512 A513 F531 P534 L537 L546 V548 M559	V491-I499 CarbonylContact O-C 3.56Å; V491-I499 WeakPolarHBondContact O-CA 3.4Å; A492-I499 HydrophobicContact CB-CD1 4.17Å; I499-L512 HydrophobicContact CG2-CB 4.48Å; I499-L512 HydrophobicContact CG2-CD2 4.11Å; I499-L512 WeakPolarHBondContact O-CA 3.44Å; I499-L512 VanDerWaalsContact O-CB 3.32Å; I499-L512 WeakPolarHBondContact O-CB 3.22Å; I499-L512 PolarHBondContact O-N 3.4Å; I499-A513 HydrophobicContact CB-CB 4.5Å; I499-A513 PolarHBondContact N-O 3.25Å; I499-A513 PolarHBondContact O-N 2.95Å; I499-A513 VanDerWaalsContact O-N 3.15Å; I499-F531 HydrophobicContact CG1-CD2 4.38Å; I499-F531 HydrophobicContact CG1-CE1 4.18Å; I499-F531 HydrophobicContact CG1-CE2 3.88Å; I499-F531 HydrophobicContact CG1-CZ 3.76Å; I499-P534 HydrophobicContact CD1-CG 4.38Å; I499-L537 HydrophobicContact CD1-CD1 4.36Å; I499-L537 HydrophobicContact CG2-CD1 4.19Å; I499-L546 HydrophobicContact CG2-CD2 4.14Å; I499-V548 HydrophobicContact CD1-CG1 3.96Å; I499-V548 HydrophobicContact CD1-CG2 4.01Å; I499-V548 HydrophobicContact CG1-CG2 4.29Å; I499-M559 HydrophobicContact CB-CE 4.36Å; I499-M559 HydrophobicContact CB-SD 4.32Å; I499-M559 HydrophobicContact CG1-CE 4.46Å; I499-M559 HydrophobicContact CG1-SD 3.85Å; I499-M559 HydrophobicContact CG2-CE 4.4Å; I499-M559 HydrophobicContact CG2-SD 4.33Å
500	K	98.9	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	156.1	175.7	-56.2	-74.2	-166.5	173.4	0	110	D464 D466 L474 Y490 V491 D493 T510 T511	D464-K500 WeakPolarHBondContact OD1-CE 3.46Å; D464-K500 IonicContact OD1-NZ 3.34Å; D464-K500 PolarHBondContact OD1-NZ 3.3Å; D466-K500 IonicContact OD1-NZ 3.35Å; D466-K500 PolarHBondContact OD1-NZ 3.23Å; L474-K500 HydrophobicContact CD2-CG 4.01Å; Y490-K500 WeakPolarHBondContact CA-O 3.33Å; V491-K500 HydrophobicContact CB-CB 4.2Å; V491-K500 PolarHBondContact N-O 2.75Å; V491-K500 PolarHBondContact O-N 2.84Å; D493-K500 HydrophobicContact CB-CG 3.66Å; D493-K500 WeakPolarHBondContact OD2-CE 3.41Å; K500-T510 CarbonylContact C-O 3.58Å; K500-T510 WeakPolarHBondContact CA-O 3.5Å; K500-T511 PolarHBondContact NZ-OG1 3.18Å
501	V	98.9	Very high	98.8	Very high	17 Å²	17	28.9 Å²	28.9	10%	0.103	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.5	171.1	59.8	0	0	0	0	109.3	L488 L489 Y490 C509 T510 L512	L488-V501 HydrophobicContact CB-CG2 4.09Å; L488-V501 HydrophobicContact CD1-CG2 3.99Å; L488-V501 HydrophobicContact CD2-CG2 4.17Å; L488-V501 HydrophobicContact CG-CG2 4.31Å; L489-V501 CarbonylContact O-C 3.57Å; L489-V501 WeakPolarHBondContact O-CA 3.2Å; Y490-V501 HydrophobicContact CD1-CB 4.01Å; Y490-V501 HydrophobicContact CD1-CG2 3.91Å; Y490-V501 HydrophobicContact CE1-CB 4.13Å; Y490-V501 HydrophobicContact CE1-CG2 3.69Å; V501-C509 WeakPolarHBondContact O-CA 3.36Å; V501-T510 WeakPolarHBondContact CG1-OG1 3.34Å; V501-T510 PolarHBondContact N-O 3.45Å; V501-T510 PolarHBondContact O-N 2.9Å; V501-L512 HydrophobicContact CB-CB 4.18Å; V501-L512 HydrophobicContact CG1-CB 4.13Å; V501-L512 HydrophobicContact CG1-CD1 4.48Å
502	V	98.9	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.8	179.5	-177.5	0	0	0	0	109.1	L449 V450 L489 V491 P504 N508 C509	L449-V502 HydrophobicContact CD2-CG1 3.92Å; L449-V502 HydrophobicContact CG-CG1 4.09Å; V450-V502 HydrophobicContact CG1-CG1 3.91Å; V450-V502 HydrophobicContact CG2-CG1 4.34Å; V450-V502 HydrophobicContact CG2-CG2 3.91Å; L489-V502 HydrophobicContact CB-CB 4.26Å; L489-V502 PolarHBondContact N-O 3.1Å; L489-V502 PolarHBondContact O-N 2.87Å; V491-V502 HydrophobicContact CG2-CG2 3.84Å; V502-P504 WeakPolarHBondContact O-CD 3.27Å; V502-N508 VanDerWaalsContact CA-O 3.29Å; V502-N508 WeakPolarHBondContact CA-O 3.42Å; V502-C509 HydrophobicContact CG2-CB 3.93Å
503	D	98.8	Very high	98.8	Very high	50 Å²	50	30.4 Å²	30.4	27%	0.267	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.3	164.1	169.9	-1.6	0	0	0	108.5	L488 K505 T506 K507 N508	L488-D503 HydrophobicContact CD2-CB 4.01Å; D503-K505 VanDerWaalsContact C-N 3.27Å; D503-K505 PolarHBondContact O-N 3.15Å; D503-K505 WeakPolarHBondContact OD1-CB 3.41Å; D503-K505 PolarHBondContact OD1-N 3.42Å; D503-T506 WeakPolarHBondContact CB-OG1 3.14Å; D503-T506 PolarHBondContact O-N 2.9Å; D503-T506 PolarHBondContact OD1-N 2.74Å; D503-T506 VanDerWaalsContact OD2-CG2 3.31Å; D503-T506 WeakPolarHBondContact OD2-CG2 3.49Å; D503-T506 PolarHBondContact OD2-OG1 3.26Å; D503-K507 WeakPolarHBondContact O-CA 3.37Å; D503-K507 PolarHBondContact O-N 3.13Å; D503-N508 PolarHBondContact N-O 3.07Å; D503-N508 PolarHBondContact O-N 2.78Å
504	P	98.4	Very high	98.7	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.084	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.2	-176.2	23.1	-26.2	0	0	0	115	W423 F427 L449 W482 N487 V502	W423-P504 HydrophobicContact CE3-CB 4.37Å; W423-P504 HydrophobicContact CE3-CG 4.29Å; W423-P504 HydrophobicContact CH2-CB 3.97Å; W423-P504 HydrophobicContact CH2-CG 3.51Å; W423-P504 HydrophobicContact CZ2-CG 4.11Å; W423-P504 HydrophobicContact CZ3-CB 3.67Å; W423-P504 HydrophobicContact CZ3-CG 3.65Å; F427-P504 HydrophobicContact CE1-CB 4.26Å; F427-P504 HydrophobicContact CZ-CB 4.23Å; F427-P504 HydrophobicContact CZ-CG 4.22Å; L449-P504 HydrophobicContact CD1-CB 3.97Å; W482-P504 HydrophobicContact CH2-CG 4Å; W482-P504 HydrophobicContact CZ3-CG 3.65Å; N487-P504 WeakPolarHBondContact O-CD 3.4Å; V502-P504 WeakPolarHBondContact O-CD 3.27Å
505	K	97.8	Very high	98.7	Very high	148 Å²	148	33 Å²	33	64%	0.643	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-50.9	171.6	-61.6	-165.2	178.2	170.1	0	110.7	W423 D503	W423-K505 HydrophobicContact CH2-CB 4.44Å; W423-K505 HydrophobicContact CH2-CD 4.34Å; W423-K505 HydrophobicContact CH2-CG 3.37Å; W423-K505 HydrophobicContact CZ2-CG 4.09Å; W423-K505 HydrophobicContact CZ3-CG 4.25Å; D503-K505 VanDerWaalsContact C-N 3.27Å; D503-K505 PolarHBondContact O-N 3.15Å; D503-K505 WeakPolarHBondContact OD1-CB 3.41Å; D503-K505 PolarHBondContact OD1-N 3.42Å
506	T	98.4	Very high	98.6	Very high	73 Å²	73	33.6 Å²	33.6	45%	0.448	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.4	-176.8	58.5	0	0	0	0	112.4	V468 D503 N508	V468-T506 WeakPolarHBondContact CG1-O 3.42Å; D503-T506 WeakPolarHBondContact CB-OG1 3.14Å; D503-T506 PolarHBondContact O-N 2.9Å; D503-T506 PolarHBondContact OD1-N 2.74Å; D503-T506 VanDerWaalsContact OD2-CG2 3.31Å; D503-T506 WeakPolarHBondContact OD2-CG2 3.49Å; D503-T506 PolarHBondContact OD2-OG1 3.26Å; T506-N508 PolarHBondContact O-N 2.79Å; T506-N508 WeakPolarHBondContact OG1-CB 3.48Å; T506-N508 PolarHBondContact OG1-N 2.77Å
507	K	98.7	Very high	98.5	Very high	83 Å²	83	37.5 Å²	37.5	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	22.4	-168.3	-50.5	-172	174.6	-157	0	113.1	H448 L449 V450 V468 G469 D503	H448-K507 PolarHBondContact O-NZ 2.9Å; L449-K507 HydrophobicContact CD1-CG 4.3Å; V450-K507 HydrophobicContact CG1-CB 4.44Å; V450-K507 VanDerWaalsContact CG1-O 3.23Å; V450-K507 WeakPolarHBondContact CG1-O 3.27Å; V468-K507 CarbonylContact C-O 3.6Å; V468-K507 WeakPolarHBondContact CA-O 3.44Å; V468-K507 HydrophobicContact CG1-CB 4.28Å; G469-K507 PolarHBondContact N-O 2.84Å; D503-K507 WeakPolarHBondContact O-CA 3.37Å; D503-K507 PolarHBondContact O-N 3.13Å
508	N	98.8	Very high	98.4	Very high	59 Å²	59	39.4 Å²	39.4	32%	0.316	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.8	175.8	-167.7	44.4	0	0	0	109.7	G467 V468 V502 D503 T506 T510	G467-N508 PolarHBondContact O-OD1 3.18Å; V468-N508 HydrophobicContact CG2-CB 4.14Å; V502-N508 VanDerWaalsContact CA-O 3.29Å; V502-N508 WeakPolarHBondContact CA-O 3.42Å; D503-N508 PolarHBondContact N-O 3.07Å; D503-N508 PolarHBondContact O-N 2.78Å; T506-N508 PolarHBondContact O-N 2.79Å; T506-N508 WeakPolarHBondContact OG1-CB 3.48Å; T506-N508 PolarHBondContact OG1-N 2.77Å; N508-T510 WeakPolarHBondContact ND2-CG2 3.46Å
509	C	98.9	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.8	174.7	179.5	0	0	0	0	108.8	V450 D466 G467 A472 V501 V502	V450-C509 HydrophobicContact CB-CB 4.28Å; V450-C509 HydrophobicContact CG1-CB 4.04Å; V450-C509 HydrophobicContact CG2-CB 4.38Å; D466-C509 CarbonylContact C-O 3.53Å; D466-C509 WeakPolarHBondContact CA-O 3.32Å; D466-C509 WeakPolarHBondContact CB-O 3.39Å; G467-C509 PolarHBondContact N-O 3.03Å; G467-C509 PolarHBondContact O-N 2.91Å; A472-C509 HydrophobicContact CB-CB 3.69Å; V501-C509 WeakPolarHBondContact O-CA 3.36Å; V502-C509 HydrophobicContact CG2-CB 3.93Å
510	T	98.8	Very high	97.9	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.9	178.7	55	0	0	0	0	111.4	D466 K500 V501 N508 L512	D466-T510 HydrophobicContact CB-CG2 4.35Å; D466-T510 VanDerWaalsContact CG-CA 3.46Å; D466-T510 WeakPolarHBondContact OD2-CA 3.34Å; K500-T510 CarbonylContact C-O 3.58Å; K500-T510 WeakPolarHBondContact CA-O 3.5Å; V501-T510 WeakPolarHBondContact CG1-OG1 3.34Å; V501-T510 PolarHBondContact N-O 3.45Å; V501-T510 PolarHBondContact O-N 2.9Å; N508-T510 WeakPolarHBondContact ND2-CG2 3.46Å; T510-L512 PolarHBondContact O-N 3.22Å
511	T	98.9	Very high	97.6	Very high	48 Å²	48	47.9 Å²	47.9	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126	174	-54.8	0	0	0	0	110.3	D466 K498 K500	D466-T511 VanDerWaalsContact CG-N 3.29Å; D466-T511 PolarHBondContact OD1-N 2.96Å; D466-T511 PolarHBondContact OD1-OG1 3.41Å; D466-T511 VanDerWaalsContact OD1-OG1 3.08Å; D466-T511 PolarHBondContact OD2-N 2.88Å; D466-T511 PolarHBondContact OD2-OG1 3.28Å; D466-T511 VanDerWaalsContact OD2-OG1 3.1Å; K498-T511 HydrophobicContact CD-CG2 4Å; K498-T511 HydrophobicContact CG-CG2 4.26Å; K500-T511 PolarHBondContact NZ-OG1 3.18Å
512	L	98.8	Very high	97.2	Very high	31 Å²	31	51.5 Å²	51.5	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-47.2	173.6	179.8	66.3	0	0	0	110.9	Y490 I499 V501 T510 F526 L546 M559 L561	Y490-L512 HydrophobicContact CD1-CD2 3.63Å; Y490-L512 HydrophobicContact CE1-CD2 3.66Å; I499-L512 HydrophobicContact CG2-CB 4.48Å; I499-L512 HydrophobicContact CG2-CD2 4.11Å; I499-L512 WeakPolarHBondContact O-CA 3.44Å; I499-L512 VanDerWaalsContact O-CB 3.32Å; I499-L512 WeakPolarHBondContact O-CB 3.22Å; I499-L512 PolarHBondContact O-N 3.4Å; V501-L512 HydrophobicContact CB-CB 4.18Å; V501-L512 HydrophobicContact CG1-CB 4.13Å; V501-L512 HydrophobicContact CG1-CD1 4.48Å; T510-L512 PolarHBondContact O-N 3.22Å; L512-F526 HydrophobicContact CD1-CD2 3.96Å; L512-F526 HydrophobicContact CD1-CE2 4.01Å; L512-F526 HydrophobicContact CD2-CE2 4.36Å; L512-F526 HydrophobicContact CG-CD2 3.97Å; L512-F526 HydrophobicContact CG-CE2 4.07Å; L512-F526 WeakPolarHBondContact O-CB 3.43Å; L512-L546 HydrophobicContact CD2-CD2 4.43Å; L512-M559 HydrophobicContact CD2-CE 3.88Å; L512-M559 HydrophobicContact CG-CE 4.17Å; L512-L561 HydrophobicContact CD2-CD2 4.18Å
513	A	98.8	Very high	97.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157.4	-177.6	0	0	0	0	0	111.3	I499 F526 F531 M559	I499-A513 HydrophobicContact CB-CB 4.5Å; I499-A513 PolarHBondContact N-O 3.25Å; I499-A513 PolarHBondContact O-N 2.95Å; I499-A513 VanDerWaalsContact O-N 3.15Å; A513-F526 WeakPolarHBondContact CA-O 3.46Å; A513-F526 HydrophobicContact CB-CB 3.74Å; A513-F526 HydrophobicContact CB-CD2 4.37Å; A513-F526 HydrophobicContact CB-CG 4Å; A513-F526 WeakPolarHBondContact CB-O 3.27Å; A513-F531 HydrophobicContact CB-CE2 4.03Å; A513-F531 HydrophobicContact CB-CZ 4.35Å; A513-M559 HydrophobicContact CB-CE 3.38Å
514	G	98.5	Very high	97	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	31%	0.306	C	S	.	.			trans	107.1	124.7	-180	0	0	0	0	0	112.3	K498 G516 F526 S529	K498-G514 VanDerWaalsContact CE-O 3.28Å; K498-G514 WeakPolarHBondContact CE-O 3.33Å; K498-G514 WeakPolarHBondContact CG-O 3.18Å; G514-G516 VanDerWaalsContact C-N 3.29Å; G514-F526 PolarHBondContact N-O 2.93Å; G514-F526 VanDerWaalsContact N-O 3.08Å; G514-S529 CarbonylContact C-O 3.59Å; G514-S529 WeakPolarHBondContact CA-O 3.45Å; G514-S529 PolarHBondContact N-OG 2.86Å
515	T	98.3	Very high	96.9	Very high	49 Å²	49	55 Å²	55	30%	0.301	32%	0.316	S	S	.	.			trans	-70.1	-30.9	172.8	64.1	0	0	0	0	111.7	K498 D517 T527 S529 T530	K498-T515 VanDerWaalsContact CE-O 3.3Å; K498-T515 WeakPolarHBondContact CE-O 3.49Å; T515-D517 PolarHBondContact OG1-N 2.85Å; T515-D517 VanDerWaalsContact OG1-N 3.08Å; T515-D517 PolarHBondContact OG1-OD2 3.03Å; T515-T527 WeakPolarHBondContact CG2-O 3.46Å; T515-S529 PolarHBondContact N-O 2.91Å; T515-T530 HydrophobicContact CG2-CG2 4.48Å
516	G	97.3	Very high	97	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	29%	0.287	C	S	.	.	S	Bend	trans	102	-5.2	-168.3	0	0	0	0	0	113.1	H497 G514	H497-G516 PolarHBondContact CD2-O 3.12Å; H497-G516 VanDerWaalsContact CD2-O 3.31Å; G514-G516 VanDerWaalsContact C-N 3.29Å
517	D	96.4	Very high	96.9	Very high	97 Å²	97	49.3 Å²	49.3	52%	0.519	29%	0.293	S	S	.	.			trans	-95	158.3	172.7	-55.7	-58.5	0	0	0	111.1	T515 N519 T530	T515-D517 PolarHBondContact OG1-N 2.85Å; T515-D517 VanDerWaalsContact OG1-N 3.08Å; T515-D517 PolarHBondContact OG1-OD2 3.03Å; D517-N519 WeakPolarHBondContact CB-OD1 3.38Å; D517-T530 WeakPolarHBondContact O-CB 3.45Å
518	T	95.9	Very high	96.9	Very high	52 Å²	52	51 Å²	51	32%	0.319	30%	0.302	S	S	.	.			trans	-104.3	5	-175.7	56.7	0	0	0	0	114.2	H497 N520 N532	H497-T518 VanDerWaalsContact CD2-CG2 3.46Å; H497-T518 WeakPolarHBondContact CD2-CG2 3.44Å; H497-T518 VanDerWaalsContact NE2-CG2 3.33Å; H497-T518 WeakPolarHBondContact NE2-CG2 3.36Å; T518-N520 PolarHBondContact O-N 2.88Å; T518-N532 HydrophobicContact CG2-CB 4.1Å
519	N	93.6	Very high	96.8	Very high	99 Å²	99	48.3 Å²	48.3	53%	0.529	29%	0.288	S	S	.	.	S	Bend	trans	-66.9	105.1	175.4	58.7	-53.6	0	0	0	110.2	D517 V521 T530	D517-N519 WeakPolarHBondContact CB-OD1 3.38Å; N519-V521 PolarHBondContact O-N 3.19Å; N519-T530 WeakPolarHBondContact O-CB 3.43Å; N519-T530 WeakPolarHBondContact O-CG2 3.36Å; N519-T530 PolarHBondContact O-OG1 3.2Å
520	N	93.6	Very high	96.8	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.353	29%	0.288	S	S	.	.			trans	-61.2	124.6	-168.7	-167.1	11.4	0	0	0	113.4	T518 Q555 K557	T518-N520 PolarHBondContact O-N 2.88Å; N520-Q555 PolarHBondContact ND2-NE2 2.9Å; N520-Q555 PolarHBondContact ND2-OE1 2.82Å; N520-Q555 PolarHBondContact OD1-OE1 2.8Å; N520-K557 PolarHBondContact OD1-NZ 3.41Å
521	V	92.8	Very high	96.8	Very high	41 Å²	41	46 Å²	46	25%	0.248	27%	0.274	C	S	.	.			trans	-115.4	128.5	173.9	-180	0	0	0	0	109.8	N519 T530 K557	N519-V521 PolarHBondContact O-N 3.19Å; V521-T530 HydrophobicContact CG2-CG2 4.13Å; V521-T530 PolarHBondContact N-OG1 3.22Å; V521-K557 PolarHBondContact O-NZ 2.84Å
522	T	91.7	Very high	96.8	Very high	93 Å²	93	44.6 Å²	44.6	57%	0.571	26%	0.264	S	S	*	.	S	Bend	trans	-84.8	-32.4	-173.6	52.9	0	0	0	0	114.1	S567 V568	T522-S567 WeakPolarHBondContact O-CA 3.5Å; T522-V568 HydrophobicContact CG2-CG2 4.44Å; T522-V568 PolarHBondContact O-N 3.25Å
523	S	94.9	Very high	96.8	Very high	78 Å²	78	43.4 Å²	43.4	55%	0.545	26%	0.258	S	S	.	.	S	Bend	trans	-148.2	116.8	179.2	177.6	0	0	0	0	110.8	V566	S523-V566 WeakPolarHBondContact CA-O 3.32Å
524	S	96.7	Very high	96.8	Very high	17 Å²	17	43.3 Å²	43.3	12%	0.119	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	174.4	178.8	57.9	0	0	0	0	111.7	E528 S529 M565 V566	S524-E528 PolarHBondContact OG-O 3.41Å; S524-E528 VanDerWaalsContact OG-O 3.09Å; S524-S529 WeakPolarHBondContact OG-CA 3.4Å; S524-S529 WeakPolarHBondContact OG-CB 3.48Å; S524-S529 PolarHBondContact OG-N 2.73Å; S524-M565 WeakPolarHBondContact O-CA 3.36Å; S524-M565 WeakPolarHBondContact O-CE 3.44Å; S524-V566 PolarHBondContact N-O 3.31Å; S524-V566 PolarHBondContact O-N 3.17Å
525	S	98.3	Very high	96.8	Very high	43 Å²	43	43.2 Å²	43.2	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	165.7	169.1	66.5	0	0	0	0	110.6	T527 E528 S529 K564	S525-T527 VanDerWaalsContact C-N 3.32Å; S525-T527 PolarHBondContact O-N 2.88Å; S525-T527 PolarHBondContact OG-OG1 3.4Å; S525-E528 PolarHBondContact O-N 2.88Å; S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 2.66Å; S525-K564 CarbonylContact C-O 3.5Å; S525-K564 WeakPolarHBondContact CA-O 3.33Å
526	F	98.6	Very high	96.8	Very high	8 Å²	8	41 Å²	41	4%	0.035	24%	0.243	C	C	.	.	S	Bend	trans	-54.7	-44.5	176.8	-78.2	12.1	0	0	0	113.2	L512 A513 G514 E528 S529 M559 D560 L561 K564 M565 V566	L512-F526 HydrophobicContact CD1-CD2 3.96Å; L512-F526 HydrophobicContact CD1-CE2 4.01Å; L512-F526 HydrophobicContact CD2-CE2 4.36Å; L512-F526 HydrophobicContact CG-CD2 3.97Å; L512-F526 HydrophobicContact CG-CE2 4.07Å; L512-F526 WeakPolarHBondContact O-CB 3.43Å; A513-F526 WeakPolarHBondContact CA-O 3.46Å; A513-F526 HydrophobicContact CB-CB 3.74Å; A513-F526 HydrophobicContact CB-CD2 4.37Å; A513-F526 HydrophobicContact CB-CG 4Å; A513-F526 WeakPolarHBondContact CB-O 3.27Å; G514-F526 PolarHBondContact N-O 2.93Å; G514-F526 VanDerWaalsContact N-O 3.08Å; F526-E528 VanDerWaalsContact C-N 3.34Å; F526-E528 PolarHBondContact O-N 3.29Å; F526-S529 PolarHBondContact O-N 2.89Å; F526-S529 PolarHBondContact O-OG 3.31Å; F526-M559 HydrophobicContact CD1-CE 4.16Å; F526-M559 HydrophobicContact CD2-CE 4.07Å; F526-M559 HydrophobicContact CE1-CB 3.8Å; F526-M559 HydrophobicContact CE1-CE 3.95Å; F526-M559 HydrophobicContact CE1-CG 4.36Å; F526-M559 HydrophobicContact CE2-CE 3.86Å; F526-M559 HydrophobicContact CG-CE 4.23Å; F526-M559 HydrophobicContact CZ-CB 3.85Å; F526-M559 HydrophobicContact CZ-CE 3.8Å; F526-D560 WeakPolarHBondContact CE1-O 3.44Å; F526-D560 WeakPolarHBondContact CZ-O 3.37Å; F526-L561 HydrophobicContact CE2-CD2 3.98Å; F526-L561 HydrophobicContact CZ-CD2 4.01Å; F526-K564 HydrophobicContact CD1-CB 4.33Å; F526-K564 WeakPolarHBondContact CD1-O 3.41Å; F526-K564 HydrophobicContact CD2-CB 4.26Å; F526-K564 HydrophobicContact CD2-CD 3.83Å; F526-K564 HydrophobicContact CE2-CB 4.49Å; F526-K564 HydrophobicContact CE2-CD 3.63Å; F526-K564 HydrophobicContact CG-CB 4.17Å; F526-K564 HydrophobicContact CZ-CD 4.22Å; F526-K564 PolarHBondContact N-O 2.57Å; F526-M565 WeakPolarHBondContact CE1-O 3.45Å; F526-V566 HydrophobicContact CD1-CG2 3.64Å; F526-V566 HydrophobicContact CE1-CG2 4.06Å
527	T	97.1	Very high	96.9	Very high	93 Å²	93	40.4 Å²	40.4	57%	0.571	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-28.5	-175.8	58.5	0	0	0	0	113.4	T515 S525	T515-T527 WeakPolarHBondContact CG2-O 3.46Å; S525-T527 VanDerWaalsContact C-N 3.32Å; S525-T527 PolarHBondContact O-N 2.88Å; S525-T527 PolarHBondContact OG-OG1 3.4Å
528	E	97.8	Very high	97	Very high	119 Å²	119	36.4 Å²	36.4	56%	0.556	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	10.8	-179.8	-53.7	-52.9	130.6	0	0	112.4	S524 S525 F526	S524-E528 PolarHBondContact OG-O 3.41Å; S524-E528 VanDerWaalsContact OG-O 3.09Å; S525-E528 PolarHBondContact O-N 2.88Å; F526-E528 VanDerWaalsContact C-N 3.34Å; F526-E528 PolarHBondContact O-N 3.29Å
529	S	98.3	Very high	97.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	20%	0.201	C	C	.	.			trans	-84.5	155.4	176.6	65.8	0	0	0	0	111.2	G514 T515 S524 S525 F526	G514-S529 CarbonylContact C-O 3.59Å; G514-S529 WeakPolarHBondContact CA-O 3.45Å; G514-S529 PolarHBondContact N-OG 2.86Å; T515-S529 PolarHBondContact N-O 2.91Å; S524-S529 WeakPolarHBondContact OG-CA 3.4Å; S524-S529 WeakPolarHBondContact OG-CB 3.48Å; S524-S529 PolarHBondContact OG-N 2.73Å; S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 2.66Å; F526-S529 PolarHBondContact O-N 2.89Å; F526-S529 PolarHBondContact O-OG 3.31Å
530	T	98.6	Very high	97.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	18%	0.18	C	C	.	.			trans	-127.6	146.5	178.8	59.1	0	0	0	0	110.2	T515 D517 N519 V521 K557	T515-T530 HydrophobicContact CG2-CG2 4.48Å; D517-T530 WeakPolarHBondContact O-CB 3.45Å; N519-T530 WeakPolarHBondContact O-CB 3.43Å; N519-T530 WeakPolarHBondContact O-CG2 3.36Å; N519-T530 PolarHBondContact O-OG1 3.2Å; V521-T530 HydrophobicContact CG2-CG2 4.13Å; V521-T530 PolarHBondContact N-OG1 3.22Å; T530-K557 PolarHBondContact O-NZ 2.73Å
531	F	98.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.			trans	-131.9	164.1	177	-57.4	-84.1	0	0	0	108.3	H497 I499 A513 P534 V548 D550 K557 M559	H497-F531 WeakPolarHBondContact CB-O 3.45Å; I499-F531 HydrophobicContact CG1-CD2 4.38Å; I499-F531 HydrophobicContact CG1-CE1 4.18Å; I499-F531 HydrophobicContact CG1-CE2 3.88Å; I499-F531 HydrophobicContact CG1-CZ 3.76Å; A513-F531 HydrophobicContact CB-CE2 4.03Å; A513-F531 HydrophobicContact CB-CZ 4.35Å; F531-P534 HydrophobicContact CB-CG 4.2Å; F531-V548 HydrophobicContact CD1-CG1 4.29Å; F531-V548 HydrophobicContact CE1-CB 4.45Å; F531-V548 HydrophobicContact CE1-CG1 4.31Å; F531-V548 HydrophobicContact CE1-CG2 4.47Å; F531-D550 WeakPolarHBondContact CA-OD1 3.18Å; F531-K557 HydrophobicContact CD1-CG 4.21Å; F531-K557 HydrophobicContact CE1-CB 4.01Å; F531-K557 HydrophobicContact CE1-CG 4.05Å; F531-M559 HydrophobicContact CZ-SD 4Å
532	N	98.7	Very high	96.6	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.091	19%	0.193	C	C	.	.	S	Bend	trans	-142.4	108.3	172.9	-168.5	-13.2	0	0	0	109.8	T518 D550 N552 N553	T518-N532 HydrophobicContact CG2-CB 4.1Å; N532-D550 PolarHBondContact N-OD1 3.3Å; N532-N552 HydrophobicContact CB-CB 3.87Å; N532-N552 PolarHBondContact O-N 3.36Å; N532-N552 VanDerWaalsContact O-N 3.08Å; N532-N552 WeakPolarHBondContact OD1-CB 3.46Å; N532-N552 PolarHBondContact OD1-ND2 2.89Å; N532-N553 PolarHBondContact N-ND2 3.38Å
533	E	98.7	Very high	96.6	Very high	6 Å²	6	29 Å²	29	3%	0.028	17%	0.167	C	C	.	.	S	Bend	trans	41	59.8	-173.4	-63.3	178.5	-170.5	0	0	114.1	Y88 N125 R138 S494 Y495 H497 G535 T551 N552	Y88-E533 PolarHBondContact OH-OE1 2.92Å; N125-E533 PolarHBondContact ND2-OE1 3.31Å; R138-E533 IonicContact CZ-OE2 2.71Å; R138-E533 IonicContact NH2-OE2 2.87Å; R138-E533 PolarHBondContact NH2-OE2 2.72Å; S494-E533 WeakPolarHBondContact O-CA 3.45Å; Y495-E533 HydrophobicContact CD1-CG 4.03Å; Y495-E533 HydrophobicContact CE1-CG 4.21Å; H497-E533 PolarHBondContact ND1-N 3.19Å; E533-G535 PolarHBondContact O-N 3.39Å; E533-G535 VanDerWaalsContact O-N 3.08Å; E533-T551 WeakPolarHBondContact O-CB 3.36Å; E533-T551 PolarHBondContact O-OG1 2.98Å; E533-N552 WeakPolarHBondContact CG-ND2 3.38Å; E533-N552 PolarHBondContact OE2-ND2 3.34Å
534	P	98.8	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	117.7	-179.3	24.9	-34.6	0	0	0	110.9	A492 S494 I499 F531 V548 A549	A492-P534 HydrophobicContact CB-CB 4.32Å; A492-P534 HydrophobicContact CB-CG 4.32Å; S494-P534 WeakPolarHBondContact CB-O 3.34Å; S494-P534 PolarHBondContact OG-O 3.12Å; I499-P534 HydrophobicContact CD1-CG 4.38Å; F531-P534 HydrophobicContact CB-CG 4.2Å; P534-V548 HydrophobicContact CB-CG1 3.6Å; P534-A549 CarbonylContact C-O 3.55Å; P534-A549 VanDerWaalsContact CA-O 3.23Å; P534-A549 WeakPolarHBondContact CA-O 3.36Å
535	G	98.3	Very high	96.7	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-23.4	-170.5	0	0	0	0	0	113.5	G227 K228 L478 E533 A549 T551	G227-G535 CarbonylContact O-C 3.2Å; G227-G535 VanDerWaalsContact O-CA 3.29Å; G227-G535 WeakPolarHBondContact O-CA 3.45Å; K228-G535 WeakPolarHBondContact CE-O 3.47Å; K228-G535 PolarHBondContact NZ-O 2.83Å; L478-G535 VanDerWaalsContact CB-O 3.23Å; L478-G535 WeakPolarHBondContact CB-O 3.48Å; E533-G535 PolarHBondContact O-N 3.39Å; E533-G535 VanDerWaalsContact O-N 3.08Å; G535-A549 PolarHBondContact N-O 3.09Å; G535-T551 WeakPolarHBondContact CA-OG1 3.47Å; G535-T551 PolarHBondContact N-OG1 3.21Å
536	G	98.4	Very high	96.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	167.6	-179.5	0	0	0	0	0	112.9	G227 A549	G227-G536 PolarHBondContact O-N 2.99Å; G536-A549 PolarHBondContact O-N 3.39Å
537	L	98.9	Very high	96.7	Very high	12 Å²	12	27 Å²	27	6%	0.063	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.2	-178.4	72.5	179.2	0	0	0	111.4	G479 T481 A492 I499 L546 Y547 V548	G479-L537 WeakPolarHBondContact O-CD2 3.41Å; T481-L537 HydrophobicContact CG2-CD1 4.25Å; T481-L537 HydrophobicContact CG2-CG 3.83Å; A492-L537 HydrophobicContact CB-CD1 4.28Å; A492-L537 HydrophobicContact CB-CD2 3.74Å; A492-L537 HydrophobicContact CB-CG 4.47Å; I499-L537 HydrophobicContact CD1-CD1 4.36Å; I499-L537 HydrophobicContact CG2-CD1 4.19Å; L537-L546 HydrophobicContact CB-CD1 4.22Å; L537-L546 HydrophobicContact CD1-CD1 4.15Å; L537-L546 HydrophobicContact CD1-CD2 4.36Å; L537-L546 HydrophobicContact CG-CD1 4.26Å; L537-Y547 CarbonylContact C-O 3.13Å; L537-Y547 WeakPolarHBondContact CA-O 3.46Å; L537-Y547 WeakPolarHBondContact CB-O 3.44Å; L537-V548 HydrophobicContact CB-CB 4.48Å; L537-V548 HydrophobicContact CB-CG2 4.06Å
538	C	98.8	Very high	96.8	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.088	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	133.9	179	-170.1	0	0	0	0	111.7	V229 V231 Y547	V229-C538 WeakPolarHBondContact O-CB 3.27Å; V231-C538 HydrophobicContact CG2-CB 4.31Å; V231-C538 PolarHBondContact N-SG 3.35Å; C538-Y547 PolarHBondContact N-O 3.08Å; C538-Y547 PolarHBondContact O-N 2.91Å
539	I	98.3	Very high	96.9	Very high	14 Å²	14	17 Å²	17	7%	0.072	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.3	173.4	-166.1	69.7	0	0	0	110.6	T481 W482 Y490 L545 L546 L561	T481-I539 HydrophobicContact CG2-CB 4.23Å; T481-I539 PolarHBondContact OG1-N 3.43Å; W482-I539 WeakPolarHBondContact O-CG2 3.49Å; Y490-I539 HydrophobicContact CE2-CD1 4.08Å; I539-L545 WeakPolarHBondContact CD1-O 3.43Å; I539-L546 HydrophobicContact CD1-CB 4.03Å; I539-L546 HydrophobicContact CD1-CD1 4.49Å; I539-L561 HydrophobicContact CD1-CD1 3.46Å; I539-L561 VanDerWaalsContact CD1-CD1 3.46Å
540	G	94.9	Very high	96.9	Very high	7 Å²	7	16.9 Å²	16.9	7%	0.072	9%	0.089	C	C	.	.			trans	-76.5	159.2	171	0	0	0	0	0	112.8	N542 G543 L545	G540-N542 VanDerWaalsContact C-N 3.3Å; G540-N542 PolarHBondContact O-N 3.3Å; G540-N542 VanDerWaalsContact O-N 3.12Å; G540-G543 WeakPolarHBondContact O-CA 3.13Å; G540-G543 PolarHBondContact O-N 2.81Å; G540-L545 PolarHBondContact N-O 2.82Å
541	E	86.1	Confident	96.9	Very high	65 Å²	65	17.4 Å²	17.4	30%	0.304	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-39.7	-170	178.4	57.4	-162.5	0	0	114.6	Q233 K484 G543	Q233-E541 HydrophobicContact CB-CB 4.45Å; Q233-E541 WeakPolarHBondContact O-CG 3.27Å; Q233-E541 VanDerWaalsContact OE1-CB 3.27Å; Q233-E541 PolarHBondContact OE1-OE2 3.22Å; K484-E541 IonicContact NZ-OE1 2.78Å; K484-E541 PolarHBondContact NZ-OE1 3.2Å; K484-E541 IonicContact NZ-OE2 3.7Å; K484-E541 PolarHBondContact NZ-OE2 3.16Å; E541-G543 PolarHBondContact O-N 3.33Å
542	N	88.2	Confident	96.9	Very high	107 Å²	107	18 Å²	18	57%	0.572	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-5.2	-179.5	-63.7	-5.1	0	0	0	113.6	G540 Q544	G540-N542 VanDerWaalsContact C-N 3.3Å; G540-N542 PolarHBondContact O-N 3.3Å; G540-N542 VanDerWaalsContact O-N 3.12Å; N542-Q544 PolarHBondContact O-N 3.14Å
543	G	92	Very high	96.8	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	63.2	16.3	-171.9	0	0	0	0	0	113.3	R486 G540 E541 L561	R486-G543 VanDerWaalsContact CZ-O 3.25Å; R486-G543 PolarHBondContact NH1-O 3.12Å; R486-G543 PolarHBondContact NH2-O 3.29Å; G540-G543 WeakPolarHBondContact O-CA 3.13Å; G540-G543 PolarHBondContact O-N 2.81Å; E541-G543 PolarHBondContact O-N 3.33Å; G543-L561 WeakPolarHBondContact O-CD1 3.34Å
544	Q	95.6	Very high	96.7	Very high	74 Å²	74	20 Å²	20	35%	0.346	10%	0.104	S	C	.	.	S	Bend	trans	-87.2	-43.8	179.5	-177.9	178.8	-2.9	0	0	111.8	N542 D560 L561 E562	N542-Q544 PolarHBondContact O-N 3.14Å; Q544-D560 PolarHBondContact NE2-OD2 2.89Å; Q544-L561 WeakPolarHBondContact O-CB 3.48Å; Q544-L561 PolarHBondContact O-N 2.74Å; Q544-E562 HydrophobicContact CG-CG 4.02Å
545	L	98	Very high	96.7	Very high	26 Å²	26	22 Å²	22	14%	0.136	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.1	-173.5	-57.8	179.9	0	0	0	109.9	I539 G540 Y547 I558 M559 D560	I539-L545 WeakPolarHBondContact CD1-O 3.43Å; G540-L545 PolarHBondContact N-O 2.82Å; L545-Y547 HydrophobicContact CB-CE2 3.92Å; L545-Y547 WeakPolarHBondContact CD1-OH 3.45Å; L545-I558 HydrophobicContact CB-CG2 4.24Å; L545-I558 HydrophobicContact CD1-CG2 4.24Å; L545-I558 HydrophobicContact CD2-CG2 4.02Å; L545-I558 HydrophobicContact CG-CG2 4.39Å; L545-M559 WeakPolarHBondContact CA-O 3.17Å; L545-D560 HydrophobicContact CD2-CB 3.88Å
546	L	98.7	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.4	169.4	170.8	65.1	0	0	0	108.1	T481 Y490 I499 L512 L537 I539 V548 M559 L561	T481-L546 HydrophobicContact CG2-CD1 3.54Å; Y490-L546 HydrophobicContact CD1-CD2 4.44Å; Y490-L546 HydrophobicContact CD2-CD1 4.25Å; Y490-L546 HydrophobicContact CD2-CD2 4.03Å; Y490-L546 HydrophobicContact CG-CD2 3.92Å; I499-L546 HydrophobicContact CG2-CD2 4.14Å; L512-L546 HydrophobicContact CD2-CD2 4.43Å; L537-L546 HydrophobicContact CB-CD1 4.22Å; L537-L546 HydrophobicContact CD1-CD1 4.15Å; L537-L546 HydrophobicContact CD1-CD2 4.36Å; L537-L546 HydrophobicContact CG-CD1 4.26Å; I539-L546 HydrophobicContact CD1-CB 4.03Å; I539-L546 HydrophobicContact CD1-CD1 4.49Å; L546-V548 HydrophobicContact CG-CG2 4.39Å; L546-M559 HydrophobicContact CB-CB 4.13Å; L546-M559 HydrophobicContact CD2-CE 4.39Å; L546-M559 HydrophobicContact CD2-SD 3.87Å; L546-M559 HydrophobicContact CG-SD 4.36Å; L546-M559 PolarHBondContact N-O 2.95Å; L546-M559 PolarHBondContact O-N 3.46Å; L546-L561 HydrophobicContact CB-CD1 4.41Å; L546-L561 HydrophobicContact CB-CD2 4.39Å; L546-L561 HydrophobicContact CB-CG 4.38Å
547	Y	98.8	Very high	96.7	Very high	6 Å²	6	21.9 Å²	21.9	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.3	178.1	-59.2	-90.7	0	0	0	109.5	V231 L238 L537 C538 L545 I556 K557 I558	V231-Y547 HydrophobicContact CG2-CD2 3.56Å; V231-Y547 HydrophobicContact CG2-CE2 3.84Å; V231-Y547 HydrophobicContact CG2-CG 4.45Å; L238-Y547 HydrophobicContact CD1-CD1 4.31Å; L238-Y547 HydrophobicContact CD1-CE1 3.97Å; L238-Y547 HydrophobicContact CD2-CD1 3.53Å; L238-Y547 HydrophobicContact CD2-CD2 3.78Å; L238-Y547 HydrophobicContact CD2-CE1 3.84Å; L238-Y547 HydrophobicContact CD2-CE2 4.06Å; L238-Y547 HydrophobicContact CD2-CG 3.49Å; L238-Y547 VanDerWaalsContact CD2-CG 3.49Å; L238-Y547 HydrophobicContact CG-CE1 4.44Å; L537-Y547 CarbonylContact C-O 3.13Å; L537-Y547 WeakPolarHBondContact CA-O 3.46Å; L537-Y547 WeakPolarHBondContact CB-O 3.44Å; C538-Y547 PolarHBondContact N-O 3.08Å; C538-Y547 PolarHBondContact O-N 2.91Å; L545-Y547 HydrophobicContact CB-CE2 3.92Å; L545-Y547 WeakPolarHBondContact CD1-OH 3.45Å; Y547-I556 HydrophobicContact CD1-CG2 4.37Å; Y547-K557 CarbonylContact C-O 3.17Å; Y547-K557 WeakPolarHBondContact CA-O 3.4Å; Y547-I558 HydrophobicContact CD1-CG1 3.97Å; Y547-I558 HydrophobicContact CD1-CG2 4.31Å; Y547-I558 HydrophobicContact CE1-CD1 4.21Å; Y547-I558 HydrophobicContact CE1-CG1 3.97Å; Y547-I558 HydrophobicContact CE1-CG2 4.03Å
548	V	98.9	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.7	-178.4	-178.1	0	0	0	0	108.6	I499 F531 P534 L537 L546 D550 I556 K557 M559	I499-V548 HydrophobicContact CD1-CG1 3.96Å; I499-V548 HydrophobicContact CD1-CG2 4.01Å; I499-V548 HydrophobicContact CG1-CG2 4.29Å; F531-V548 HydrophobicContact CD1-CG1 4.29Å; F531-V548 HydrophobicContact CE1-CB 4.45Å; F531-V548 HydrophobicContact CE1-CG1 4.31Å; F531-V548 HydrophobicContact CE1-CG2 4.47Å; P534-V548 HydrophobicContact CB-CG1 3.6Å; L537-V548 HydrophobicContact CB-CB 4.48Å; L537-V548 HydrophobicContact CB-CG2 4.06Å; L546-V548 HydrophobicContact CG-CG2 4.39Å; V548-D550 PolarHBondContact O-N 3.27Å; V548-I556 CarbonylContact O-C 3.58Å; V548-I556 WeakPolarHBondContact O-CA 3.16Å; V548-K557 HydrophobicContact CB-CB 4.28Å; V548-K557 PolarHBondContact N-O 3.31Å; V548-K557 PolarHBondContact O-N 2.65Å; V548-M559 HydrophobicContact CG2-CG 4.46Å; V548-M559 HydrophobicContact CG2-SD 3.86Å
549	A	98.9	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	99.6	167.9	0	0	0	0	0	108.3	V229 P534 G535 G536 T551 I556	V229-A549 HydrophobicContact CB-CB 4.26Å; V229-A549 HydrophobicContact CG1-CB 4.01Å; P534-A549 CarbonylContact C-O 3.55Å; P534-A549 VanDerWaalsContact CA-O 3.23Å; P534-A549 WeakPolarHBondContact CA-O 3.36Å; G535-A549 PolarHBondContact N-O 3.09Å; G536-A549 PolarHBondContact O-N 3.39Å; A549-T551 PolarHBondContact O-N 3.24Å; A549-I556 HydrophobicContact CB-CD1 4.11Å
550	D	98.7	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	79.9	-174.7	-166.5	20.6	0	0	0	109.5	F531 N532 V548 N552 N553 H554 Q555 K557	F531-D550 WeakPolarHBondContact CA-OD1 3.18Å; N532-D550 PolarHBondContact N-OD1 3.3Å; V548-D550 PolarHBondContact O-N 3.27Å; D550-N552 PolarHBondContact O-N 2.97Å; D550-N553 HydrophobicContact CB-CB 4.41Å; D550-N553 CarbonylContact O-C 3.59Å; D550-N553 PolarHBondContact O-N 3.3Å; D550-N553 WeakPolarHBondContact OD2-CB 3.35Å; D550-N553 PolarHBondContact OD2-ND2 3.28Å; D550-H554 PolarHBondContact O-N 2.82Å; D550-H554 VanDerWaalsContact O-N 3.14Å; D550-Q555 WeakPolarHBondContact CB-O 3.12Å; D550-Q555 PolarHBondContact N-O 2.79Å; D550-Q555 PolarHBondContact O-N 2.78Å; D550-K557 HydrophobicContact CB-CG 3.78Å; D550-K557 WeakPolarHBondContact OD2-CE 3.38Å; D550-K557 IonicContact OD2-NZ 3.29Å
551	T	98.6	Very high	96.8	Very high	12 Å²	12	22.2 Å²	22.2	7%	0.074	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-53.1	-57.5	-158.6	-41.2	0	0	0	0	113.4	F225 P226 E533 G535 A549 N553 H554	F225-T551 WeakPolarHBondContact CA-O 3.43Å; F225-T551 HydrophobicContact CB-CG2 3.87Å; F225-T551 HydrophobicContact CD1-CG2 4.3Å; P226-T551 PolarHBondContact O-OG1 3.25Å; E533-T551 WeakPolarHBondContact O-CB 3.36Å; E533-T551 PolarHBondContact O-OG1 2.98Å; G535-T551 WeakPolarHBondContact CA-OG1 3.47Å; G535-T551 PolarHBondContact N-OG1 3.21Å; A549-T551 PolarHBondContact O-N 3.24Å; T551-N553 VanDerWaalsContact C-N 3.27Å; T551-N553 PolarHBondContact O-N 3.32Å; T551-H554 PolarHBondContact O-N 3.33Å; T551-H554 PolarHBondContact O-ND1 2.94Å
552	N	97.7	Very high	97.3	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.064	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-79.9	-12.4	-173.2	-69.9	-9.6	0	0	0	112.4	R138 F225 N532 E533 D550 H554	R138-N552 PolarHBondContact NE-OD1 3.23Å; F225-N552 WeakPolarHBondContact CD1-OD1 3.14Å; N532-N552 HydrophobicContact CB-CB 3.87Å; N532-N552 PolarHBondContact O-N 3.36Å; N532-N552 VanDerWaalsContact O-N 3.08Å; N532-N552 WeakPolarHBondContact OD1-CB 3.46Å; N532-N552 PolarHBondContact OD1-ND2 2.89Å; E533-N552 WeakPolarHBondContact CG-ND2 3.38Å; E533-N552 PolarHBondContact OE2-ND2 3.34Å; D550-N552 PolarHBondContact O-N 2.97Å; N552-H554 VanDerWaalsContact C-N 3.32Å
553	N	97	Very high	97.7	Very high	20 Å²	20	23.1 Å²	23.1	11%	0.107	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-87	-3.6	167.3	-75.8	-35.3	0	0	0	112.9	N532 D550 T551 Q555	N532-N553 PolarHBondContact N-ND2 3.38Å; D550-N553 HydrophobicContact CB-CB 4.41Å; D550-N553 CarbonylContact O-C 3.59Å; D550-N553 PolarHBondContact O-N 3.3Å; D550-N553 WeakPolarHBondContact OD2-CB 3.35Å; D550-N553 PolarHBondContact OD2-ND2 3.28Å; T551-N553 VanDerWaalsContact C-N 3.27Å; T551-N553 PolarHBondContact O-N 3.32Å; N553-Q555 VanDerWaalsContact C-N 3.27Å; N553-Q555 HydrophobicContact CB-CB 4.48Å; N553-Q555 VanDerWaalsContact O-CG 3.26Å; N553-Q555 WeakPolarHBondContact O-CG 3.02Å; N553-Q555 PolarHBondContact O-N 3.27Å
554	H	97.2	Very high	98	Very high	45 Å²	45	27.7 Å²	27.7	21%	0.208	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	37.2	-179.6	-50.1	-43.3	0	0	0	113.5	L223 F225 D550 T551 N552	L223-H554 WeakPolarHBondContact O-CB 3.45Å; F225-H554 AromaticContact CD1-CE1 3.54Å; F225-H554 AromaticContact CD1-ND1 3.86Å; F225-H554 AromaticContact CD2-CE1 3.98Å; F225-H554 AromaticContact CE1-CE1 3.4Å; F225-H554 VanDerWaalsContact CE1-CE1 3.4Å; F225-H554 WeakPolarHBondContact CE1-CE1 3.19Å; F225-H554 AromaticContact CE2-CE1 3.82Å; F225-H554 AromaticContact CG-CE1 3.84Å; F225-H554 AromaticContact CZ-CE1 3.54Å; F225-H554 PolarHBondContact N-ND1 3.12Å; F225-H554 VanDerWaalsContact N-ND1 3.19Å; D550-H554 PolarHBondContact O-N 2.82Å; D550-H554 VanDerWaalsContact O-N 3.14Å; T551-H554 PolarHBondContact O-N 3.33Å; T551-H554 PolarHBondContact O-ND1 2.94Å; N552-H554 VanDerWaalsContact C-N 3.32Å
555	Q	97.9	Very high	98.1	Very high	43 Å²	43	27.8 Å²	27.8	20%	0.201	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.8	-168.7	-77.7	168.5	-1.9	0	0	112.1	N520 D550 N553 V568	N520-Q555 PolarHBondContact ND2-NE2 2.9Å; N520-Q555 PolarHBondContact ND2-OE1 2.82Å; N520-Q555 PolarHBondContact OD1-OE1 2.8Å; D550-Q555 WeakPolarHBondContact CB-O 3.12Å; D550-Q555 PolarHBondContact N-O 2.79Å; D550-Q555 PolarHBondContact O-N 2.78Å; N553-Q555 VanDerWaalsContact C-N 3.27Å; N553-Q555 HydrophobicContact CB-CB 4.48Å; N553-Q555 VanDerWaalsContact O-CG 3.26Å; N553-Q555 WeakPolarHBondContact O-CG 3.02Å; N553-Q555 PolarHBondContact O-N 3.27Å; Q555-V568 HydrophobicContact CB-CG1 4.25Å; Q555-V568 HydrophobicContact CG-CG1 3.96Å
556	I	98.8	Very high	98.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.5	161.1	-56.1	-55.3	0	0	0	107.7	L223 P226 V229 I240 Y547 V548 A549 L569	L223-I556 HydrophobicContact CD1-CD1 4.36Å; L223-I556 HydrophobicContact CD1-CG1 3.94Å; P226-I556 HydrophobicContact CB-CD1 4.3Å; P226-I556 HydrophobicContact CG-CD1 4.44Å; V229-I556 HydrophobicContact CB-CD1 4.32Å; I240-I556 HydrophobicContact CD1-CD1 4.3Å; I240-I556 HydrophobicContact CD1-CG1 3.74Å; I240-I556 HydrophobicContact CG1-CD1 4.2Å; I240-I556 HydrophobicContact CG1-CG1 4.14Å; I240-I556 HydrophobicContact CG2-CD1 4.01Å; Y547-I556 HydrophobicContact CD1-CG2 4.37Å; V548-I556 CarbonylContact O-C 3.58Å; V548-I556 WeakPolarHBondContact O-CA 3.16Å; A549-I556 HydrophobicContact CB-CD1 4.11Å; I556-L569 HydrophobicContact CB-CB 4.05Å; I556-L569 HydrophobicContact CB-CD2 4.13Å; I556-L569 HydrophobicContact CG2-CB 4.24Å; I556-L569 HydrophobicContact CG2-CD2 4.03Å; I556-L569 PolarHBondContact O-N 3.12Å
557	K	98.7	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135	174.9	-62.6	-89.2	174.5	132.2	0	109.1	N520 V521 T530 F531 Y547 V548 D550 V566 S567 V568	N520-K557 PolarHBondContact OD1-NZ 3.41Å; V521-K557 PolarHBondContact O-NZ 2.84Å; T530-K557 PolarHBondContact O-NZ 2.73Å; F531-K557 HydrophobicContact CD1-CG 4.21Å; F531-K557 HydrophobicContact CE1-CB 4.01Å; F531-K557 HydrophobicContact CE1-CG 4.05Å; Y547-K557 CarbonylContact C-O 3.17Å; Y547-K557 WeakPolarHBondContact CA-O 3.4Å; V548-K557 HydrophobicContact CB-CB 4.28Å; V548-K557 PolarHBondContact N-O 3.31Å; V548-K557 PolarHBondContact O-N 2.65Å; D550-K557 HydrophobicContact CB-CG 3.78Å; D550-K557 WeakPolarHBondContact OD2-CE 3.38Å; D550-K557 IonicContact OD2-NZ 3.29Å; K557-V566 HydrophobicContact CB-CG1 4.09Å; K557-V566 HydrophobicContact CD-CG1 3.89Å; K557-S567 CarbonylContact C-O 3.57Å; K557-S567 WeakPolarHBondContact CA-O 3.3Å; K557-V568 HydrophobicContact CD-CG2 4.11Å
558	I	98.6	Very high	98.1	Very high	22 Å²	22	30.8 Å²	30.8	11%	0.113	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.7	174.5	-46.7	176.1	0	0	0	107.7	L545 Y547 V566 S567 L569	L545-I558 HydrophobicContact CB-CG2 4.24Å; L545-I558 HydrophobicContact CD1-CG2 4.24Å; L545-I558 HydrophobicContact CD2-CG2 4.02Å; L545-I558 HydrophobicContact CG-CG2 4.39Å; Y547-I558 HydrophobicContact CD1-CG1 3.97Å; Y547-I558 HydrophobicContact CD1-CG2 4.31Å; Y547-I558 HydrophobicContact CE1-CD1 4.21Å; Y547-I558 HydrophobicContact CE1-CG1 3.97Å; Y547-I558 HydrophobicContact CE1-CG2 4.03Å; I558-V566 CarbonylContact O-C 3.59Å; I558-V566 WeakPolarHBondContact O-CA 3.39Å; I558-S567 PolarHBondContact N-O 3.24Å; I558-S567 PolarHBondContact O-N 3.45Å; I558-L569 HydrophobicContact CD1-CB 3.79Å; I558-L569 HydrophobicContact CD1-CD1 3.71Å; I558-L569 HydrophobicContact CD1-CG 4.33Å; I558-L569 HydrophobicContact CG1-CB 3.87Å
559	M	98.7	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	174.6	-60.7	177.2	63	0	0	109.3	I499 L512 A513 F526 F531 L545 L546 V548 L561 V566	I499-M559 HydrophobicContact CB-CE 4.36Å; I499-M559 HydrophobicContact CB-SD 4.32Å; I499-M559 HydrophobicContact CG1-CE 4.46Å; I499-M559 HydrophobicContact CG1-SD 3.85Å; I499-M559 HydrophobicContact CG2-CE 4.4Å; I499-M559 HydrophobicContact CG2-SD 4.33Å; L512-M559 HydrophobicContact CD2-CE 3.88Å; L512-M559 HydrophobicContact CG-CE 4.17Å; A513-M559 HydrophobicContact CB-CE 3.38Å; F526-M559 HydrophobicContact CD1-CE 4.16Å; F526-M559 HydrophobicContact CD2-CE 4.07Å; F526-M559 HydrophobicContact CE1-CB 3.8Å; F526-M559 HydrophobicContact CE1-CE 3.95Å; F526-M559 HydrophobicContact CE1-CG 4.36Å; F526-M559 HydrophobicContact CE2-CE 3.86Å; F526-M559 HydrophobicContact CG-CE 4.23Å; F526-M559 HydrophobicContact CZ-CB 3.85Å; F526-M559 HydrophobicContact CZ-CE 3.8Å; F531-M559 HydrophobicContact CZ-SD 4Å; L545-M559 WeakPolarHBondContact CA-O 3.17Å; L546-M559 HydrophobicContact CB-CB 4.13Å; L546-M559 HydrophobicContact CD2-CE 4.39Å; L546-M559 HydrophobicContact CD2-SD 3.87Å; L546-M559 HydrophobicContact CG-SD 4.36Å; L546-M559 PolarHBondContact N-O 2.95Å; L546-M559 PolarHBondContact O-N 3.46Å; V548-M559 HydrophobicContact CG2-CG 4.46Å; V548-M559 HydrophobicContact CG2-SD 3.86Å; M559-L561 PolarHBondContact O-N 3.39Å; M559-V566 HydrophobicContact CG-CG1 4.38Å; M559-V566 HydrophobicContact CG-CG2 4.04Å
560	D	98.3	Very high	97.8	Very high	29 Å²	29	34.6 Å²	34.6	16%	0.155	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110	171.6	-174.3	-37.1	0	0	0	109.6	F526 Q544 L545 E562 T563 K564 M565	F526-D560 WeakPolarHBondContact CE1-O 3.44Å; F526-D560 WeakPolarHBondContact CZ-O 3.37Å; Q544-D560 PolarHBondContact NE2-OD2 2.89Å; L545-D560 HydrophobicContact CD2-CB 3.88Å; D560-E562 PolarHBondContact O-N 2.88Å; D560-E562 WeakPolarHBondContact OD1-CA 3.49Å; D560-E562 WeakPolarHBondContact OD1-CB 3.43Å; D560-E562 PolarHBondContact OD1-N 2.89Å; D560-T563 VanDerWaalsContact CB-OG1 3.28Å; D560-T563 WeakPolarHBondContact CB-OG1 3.34Å; D560-T563 VanDerWaalsContact CG-OG1 3.23Å; D560-T563 PolarHBondContact OD1-N 2.98Å; D560-K564 VanDerWaalsContact O-CA 3.26Å; D560-K564 WeakPolarHBondContact O-CA 3.37Å; D560-K564 PolarHBondContact O-N 2.77Å; D560-M565 PolarHBondContact N-O 3.21Å
561	L	97.9	Very high	97.5	Very high	3 Å²	3	36 Å²	36	2%	0.016	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.5	-175.3	-63.8	174.8	0	0	0	113.5	Y490 L512 F526 I539 G543 Q544 L546 M559 K564	Y490-L561 HydrophobicContact CE1-CD2 4.5Å; Y490-L561 HydrophobicContact CE2-CD1 3.87Å; Y490-L561 WeakPolarHBondContact OH-CD1 3.4Å; L512-L561 HydrophobicContact CD2-CD2 4.18Å; F526-L561 HydrophobicContact CE2-CD2 3.98Å; F526-L561 HydrophobicContact CZ-CD2 4.01Å; I539-L561 HydrophobicContact CD1-CD1 3.46Å; I539-L561 VanDerWaalsContact CD1-CD1 3.46Å; G543-L561 WeakPolarHBondContact O-CD1 3.34Å; Q544-L561 WeakPolarHBondContact O-CB 3.48Å; Q544-L561 PolarHBondContact O-N 2.74Å; L546-L561 HydrophobicContact CB-CD1 4.41Å; L546-L561 HydrophobicContact CB-CD2 4.39Å; L546-L561 HydrophobicContact CB-CG 4.38Å; M559-L561 PolarHBondContact O-N 3.39Å; L561-K564 VanDerWaalsContact O-CE 3.24Å; L561-K564 WeakPolarHBondContact O-CE 3.39Å; L561-K564 PolarHBondContact O-NZ 3.11Å
562	E	95.8	Very high	97.1	Very high	106 Å²	106	39.7 Å²	39.7	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-49.7	176.4	-58.6	-63.3	156.5	0	0	110.3	K485 R486 Q544 D560	K485-E562 IonicContact NZ-OE1 3.92Å; R486-E562 IonicContact CZ-OE1 2.82Å; R486-E562 IonicContact NH2-OE1 4Å; R486-E562 PolarHBondContact NH2-OE1 3.47Å; Q544-E562 HydrophobicContact CG-CG 4.02Å; D560-E562 PolarHBondContact O-N 2.88Å; D560-E562 WeakPolarHBondContact OD1-CA 3.49Å; D560-E562 WeakPolarHBondContact OD1-CB 3.43Å; D560-E562 PolarHBondContact OD1-N 2.89Å
563	T	97.3	Very high	96.2	Very high	85 Å²	85	44.4 Å²	44.4	52%	0.521	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.1	-179.4	65.6	0	0	0	0	113.9	D560 M565	D560-T563 VanDerWaalsContact CB-OG1 3.28Å; D560-T563 WeakPolarHBondContact CB-OG1 3.34Å; D560-T563 VanDerWaalsContact CG-OG1 3.23Å; D560-T563 PolarHBondContact OD1-N 2.98Å; T563-M565 VanDerWaalsContact C-N 3.27Å; T563-M565 PolarHBondContact O-N 3.12Å
564	K	98.1	Very high	94.5	Very high	98 Å²	98	45.5 Å²	45.5	43%	0.426	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	34.8	-175.7	-51.2	-59	-174.1	-168.6	0	113.4	S525 F526 D560 L561	S525-K564 CarbonylContact C-O 3.5Å; S525-K564 WeakPolarHBondContact CA-O 3.33Å; F526-K564 HydrophobicContact CD1-CB 4.33Å; F526-K564 WeakPolarHBondContact CD1-O 3.41Å; F526-K564 HydrophobicContact CD2-CB 4.26Å; F526-K564 HydrophobicContact CD2-CD 3.83Å; F526-K564 HydrophobicContact CE2-CB 4.49Å; F526-K564 HydrophobicContact CE2-CD 3.63Å; F526-K564 HydrophobicContact CG-CB 4.17Å; F526-K564 HydrophobicContact CZ-CD 4.22Å; F526-K564 PolarHBondContact N-O 2.57Å; D560-K564 VanDerWaalsContact O-CA 3.26Å; D560-K564 WeakPolarHBondContact O-CA 3.37Å; D560-K564 PolarHBondContact O-N 2.77Å; L561-K564 VanDerWaalsContact O-CE 3.24Å; L561-K564 WeakPolarHBondContact O-CE 3.39Å; L561-K564 PolarHBondContact O-NZ 3.11Å
565	M	98.3	Very high	92.3	Very high	76 Å²	76	52.6 Å²	52.6	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.6	178.1	-66.8	-61.9	-63.6	0	0	111.6	S524 F526 D560 T563	S524-M565 WeakPolarHBondContact O-CA 3.36Å; S524-M565 WeakPolarHBondContact O-CE 3.44Å; F526-M565 WeakPolarHBondContact CE1-O 3.45Å; D560-M565 PolarHBondContact N-O 3.21Å; T563-M565 VanDerWaalsContact C-N 3.27Å; T563-M565 PolarHBondContact O-N 3.12Å
566	V	98.6	Very high	89.7	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.8	170.5	-171.8	0	0	0	0	108.8	S523 S524 F526 K557 I558 M559	S523-V566 WeakPolarHBondContact CA-O 3.32Å; S524-V566 PolarHBondContact N-O 3.31Å; S524-V566 PolarHBondContact O-N 3.17Å; F526-V566 HydrophobicContact CD1-CG2 3.64Å; F526-V566 HydrophobicContact CE1-CG2 4.06Å; K557-V566 HydrophobicContact CB-CG1 4.09Å; K557-V566 HydrophobicContact CD-CG1 3.89Å; I558-V566 CarbonylContact O-C 3.59Å; I558-V566 WeakPolarHBondContact O-CA 3.39Å; M559-V566 HydrophobicContact CG-CG1 4.38Å; M559-V566 HydrophobicContact CG-CG2 4.04Å
567	S	97.6	Very high	87.2	Confident	50 Å²	50	58.5 Å²	58.5	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166.3	173	58.3	0	0	0	0	110.3	T522 K557 I558	T522-S567 WeakPolarHBondContact O-CA 3.5Å; K557-S567 CarbonylContact C-O 3.57Å; K557-S567 WeakPolarHBondContact CA-O 3.3Å; I558-S567 PolarHBondContact N-O 3.24Å; I558-S567 PolarHBondContact O-N 3.45Å
568	V	97.9	Very high	84.8	Confident	42 Å²	42	61.8 Å²	61.8	26%	0.255	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.1	173.4	178.6	0	0	0	0	109.3	T522 Q555 K557 P570	T522-V568 HydrophobicContact CG2-CG2 4.44Å; T522-V568 PolarHBondContact O-N 3.25Å; Q555-V568 HydrophobicContact CB-CG1 4.25Å; Q555-V568 HydrophobicContact CG-CG1 3.96Å; K557-V568 HydrophobicContact CD-CG2 4.11Å; V568-P570 VanDerWaalsContact O-CD 3.31Å; V568-P570 WeakPolarHBondContact O-CD 3.48Å
569	L	97.1	Very high	82.2	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.8	116.9	171	-179.5	66.9	0	0	0	108.7	L238 V251 I556 I558 I571	L238-L569 HydrophobicContact CD1-CD2 3.75Å; V251-L569 HydrophobicContact CG2-CD2 4.45Å; I556-L569 HydrophobicContact CB-CB 4.05Å; I556-L569 HydrophobicContact CB-CD2 4.13Å; I556-L569 HydrophobicContact CG2-CB 4.24Å; I556-L569 HydrophobicContact CG2-CD2 4.03Å; I556-L569 PolarHBondContact O-N 3.12Å; I558-L569 HydrophobicContact CD1-CB 3.79Å; I558-L569 HydrophobicContact CD1-CD1 3.71Å; I558-L569 HydrophobicContact CD1-CG 4.33Å; I558-L569 HydrophobicContact CG1-CB 3.87Å; L569-I571 HydrophobicContact CD2-CD1 3.74Å; L569-I571 HydrophobicContact CG-CD1 4Å; L569-I571 PolarHBondContact O-N 3.19Å
570	P	95.1	Very high	79.9	Confident	76 Å²	76	67 Å²	67	49%	0.494	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-63	138.7	170.7	27.8	-34.4	0	0	0	108.6	G255 V568 F572	G255-P570 WeakPolarHBondContact CA-O 3.26Å; V568-P570 VanDerWaalsContact O-CD 3.31Å; V568-P570 WeakPolarHBondContact O-CD 3.48Å; P570-F572 HydrophobicContact CB-CD1 4.3Å
571	I	92.9	Very high	77.1	Confident	29 Å²	29	67.1 Å²	67.1	15%	0.149	36%	0.361	C	S	.	.			trans	-118.9	116.8	173.9	-62.8	-65.8	0	0	0	107.7	P222 L223 I240 V251 I257 L569	P222-I571 HydrophobicContact CB-CB 4.47Å; P222-I571 HydrophobicContact CB-CG2 4.29Å; L223-I571 HydrophobicContact CD1-CG1 4.32Å; I240-I571 HydrophobicContact CD1-CD1 4.03Å; V251-I571 HydrophobicContact CG1-CD1 4.39Å; V251-I571 HydrophobicContact CG2-CD1 4.33Å; I257-I571 HydrophobicContact CD1-CG2 3.8Å; I257-I571 HydrophobicContact CG1-CG2 3.99Å; L569-I571 HydrophobicContact CD2-CD1 3.74Å; L569-I571 HydrophobicContact CG-CD1 4Å; L569-I571 PolarHBondContact O-N 3.19Å
572	F	89.3	Confident	73.9	Confident	89 Å²	89	72.5 Å²	72.5	39%	0.39	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-144.4	157.6	-176.1	63.1	-85.9	0	0	0	112.2	N254 G255 Q256 I257 P570	N254-F572 WeakPolarHBondContact O-CE1 3.49Å; G255-F572 PolarHBondContact O-N 3.21Å; Q256-F572 HydrophobicContact CB-CE2 3.94Å; Q256-F572 HydrophobicContact CB-CZ 3.94Å; Q256-F572 HydrophobicContact CG-CE2 4.24Å; I257-F572 PolarHBondContact N-O 2.84Å; P570-F572 HydrophobicContact CB-CD1 4.3Å
573	R	79.9	Confident	71.1	Confident	112 Å²	112	71.9 Å²	71.9	42%	0.423	39%	0.391	S	S	.	.			trans	-94	143.8	173.7	-67.5	-177.2	177.7	176.9	-0.2	109.8	I257	I257-R573 HydrophobicContact CD1-CG 3.96Å
574	S	60.8	Low	68	Low	43 Å²	43	75.9 Å²	75.9	30%	0.301	41%	0.409	S	S	.	.			trans	-104.2	156.4	164.1	173.2	0	0	0	0	108.7	Q256 N576 A577	Q256-S574 PolarHBondContact NE2-OG 2.92Å; S574-N576 PolarHBondContact O-N 2.9Å; S574-A577 WeakPolarHBondContact O-CB 3.38Å; S574-A577 PolarHBondContact O-N 3.42Å
575	E	50.4	Low	64.7	Low	194 Å²	194	77.3 Å²	77.3	91%	0.907	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.8	176.2	-64.9	-178.7	169.8	0	0	113.5
576	N	44.1	Very low	61.6	Low	146 Å²	146	81.5 Å²	81.5	78%	0.781	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	7.8	180	-65.8	-30.3	0	0	0	114.9	S574	S574-N576 PolarHBondContact O-N 2.9Å
577	A	45.6	Very low	58.5	Low	21 Å²	21	90.8 Å²	90.8	17%	0.174	48%	0.484	C	S	.	.			trans	-72.2	130.3	178.5	0	0	0	0	0	110.9	S574 V579	S574-A577 WeakPolarHBondContact O-CB 3.38Å; S574-A577 PolarHBondContact O-N 3.42Å; A577-V579 HydrophobicContact CB-CG2 3.77Å; A577-V579 PolarHBondContact O-N 3.47Å
578	V	48.2	Very low	55.7	Low	70 Å²	70	96 Å²	96	42%	0.424	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	96.7	168.7	-177.8	0	0	0	0	106.9	Y259	Y259-V578 HydrophobicContact CD1-CB 4.32Å; Y259-V578 HydrophobicContact CE1-CB 4.34Å
579	V	44.3	Very low	53.2	Low	44 Å²	44	98.9 Å²	98.9	27%	0.267	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.6	-179.7	-177.1	0	0	0	0	107.4	A577	A577-V579 HydrophobicContact CB-CG2 3.77Å; A577-V579 PolarHBondContact O-N 3.47Å
580	D	50.3	Low	51	Low	88 Å²	88	104.9 Å²	104.9	47%	0.471	55%	0.549	S	S	.	.			trans	-125.8	117.6	167.7	-76.6	-34.4	0	0	0	111.9
581	G	40.2	Very low	49.2	Very low	31 Å²	31	104.4 Å²	104.4	32%	0.32	54%	0.542	S	S	.	.	S	Bend	trans	163.3	133.4	176.6	0	0	0	0	0	107.4	F583	G581-F583 PolarHBondContact O-N 3.08Å
582	P	29.9	Very low	47.9	Very low	115 Å²	115	105 Å²	105	75%	0.747	55%	0.548	S	S	*	.			trans	-69.8	101.8	-178.7	29.1	-30.8	0	0	0	108
583	F	36.5	Very low	47.2	Very low	93 Å²	93	110.2 Å²	110.2	41%	0.408	57%	0.57	S	S	.	*			trans	-77.9	136.7	159	-88.5	-88.2	0	0	0	108.2	R247 G581 V585	R247-F583 VanDerWaalsContact NH1-CZ 3.33Å; G581-F583 PolarHBondContact O-N 3.08Å; F583-V585 VanDerWaalsContact C-N 3.3Å; F583-V585 PolarHBondContact O-N 2.93Å
584	L	33.3	Very low	47.2	Very low	170 Å²	170	107 Å²	107	89%	0.89	56%	0.561	S	S	*	*			trans	-43.6	105.7	154.3	-78.3	157.3	0	0	0	106.2	E586	L584-E586 PolarHBondContact O-N 3.13Å
585	V	27.6	Very low	47.9	Very low	128 Å²	128	106.9 Å²	106.9	78%	0.776	56%	0.559	S	S	*	*			trans	-47.2	115	162.6	175.8	0	0	0	0	103.6	F583 K587	F583-V585 VanDerWaalsContact C-N 3.3Å; F583-V585 PolarHBondContact O-N 2.93Å; V585-K587 PolarHBondContact O-N 2.91Å
586	E	34.5	Very low	49.2	Very low	164 Å²	164	108.3 Å²	108.3	77%	0.766	56%	0.563	S	S	*	*			trans	-43.1	115.5	162.7	-79.2	-179.9	173.7	0	0	104	L584 Q588	L584-E586 PolarHBondContact O-N 3.13Å; E586-Q588 PolarHBondContact O-N 3.2Å
587	K	31.9	Very low	50.7	Low	197 Å²	197	106.6 Å²	106.6	86%	0.857	56%	0.562	S	S	*	*			trans	-63.7	86.2	158.8	-80.2	-177.6	178.8	175.3	0	103.2	V585 K589	V585-K587 PolarHBondContact O-N 2.91Å; K587-K589 VanDerWaalsContact C-N 3.29Å; K587-K589 PolarHBondContact O-N 2.66Å
588	Q	40.4	Very low	52.6	Low	160 Å²	160	106.7 Å²	106.7	75%	0.748	56%	0.563	S	S	*	*			trans	-39	113.3	142.8	-81.7	-175.9	-12.7	0	0	102.8	E586 T590	E586-Q588 PolarHBondContact O-N 3.2Å; Q588-T590 VanDerWaalsContact C-N 3.29Å; Q588-T590 WeakPolarHBondContact O-CA 3.36Å; Q588-T590 PolarHBondContact O-N 2.88Å
589	K	45	Very low	54.4	Low	101 Å²	101	105.1 Å²	105.1	44%	0.439	55%	0.554	S	S	.	*			trans	-47.5	107.2	177.3	-86.5	177.5	176.5	166.2	0	104.2	K587 L591 F637 D655	K587-K589 VanDerWaalsContact C-N 3.29Å; K587-K589 PolarHBondContact O-N 2.66Å; K589-L591 PolarHBondContact O-N 2.79Å; K589-F637 HydrophobicContact CB-CE1 4.19Å; K589-F637 HydrophobicContact CB-CZ 4.32Å; K589-D655 IonicContact NZ-OD1 3.89Å; K589-D655 PolarHBondContact NZ-OD1 2.85Å; K589-D655 IonicContact NZ-OD2 3.69Å; K589-D655 PolarHBondContact NZ-OD2 2.75Å
590	T	50.5	Low	56.6	Low	131 Å²	131	106.9 Å²	106.9	80%	0.804	57%	0.569	S	S	*	*			trans	-57.6	112.7	-173.1	32.3	0	0	0	0	105.1	Q588 P592	Q588-T590 VanDerWaalsContact C-N 3.29Å; Q588-T590 WeakPolarHBondContact O-CA 3.36Å; Q588-T590 PolarHBondContact O-N 2.88Å; T590-P592 VanDerWaalsContact O-CD 3.26Å; T590-P592 WeakPolarHBondContact O-CD 3.41Å
591	L	57.7	Low	58.6	Low	66 Å²	66	105 Å²	105	35%	0.346	56%	0.558	S	S	.	*			trans	-54.5	114.9	-169.5	-177.1	58.3	0	0	0	108.3	K589 K593 F637 R639	K589-L591 PolarHBondContact O-N 2.79Å; L591-K593 PolarHBondContact O-N 3.4Å; L591-F637 HydrophobicContact CD1-CB 3.48Å; L591-F637 VanDerWaalsContact CD1-CB 3.48Å; L591-F637 HydrophobicContact CD1-CD1 3.29Å; L591-F637 HydrophobicContact CD1-CD2 3.42Å; L591-F637 VanDerWaalsContact CD1-CD2 3.42Å; L591-F637 HydrophobicContact CD1-CE1 3.77Å; L591-F637 HydrophobicContact CD1-CE2 3.88Å; L591-F637 HydrophobicContact CD1-CG 3.1Å; L591-F637 HydrophobicContact CD1-CZ 4.04Å; L591-R639 HydrophobicContact CD2-CG 4.45Å; L591-R639 VanDerWaalsContact CG-NH2 3.31Å
592	P	65.6	Low	61.1	Low	41 Å²	41	112.5 Å²	112.5	27%	0.266	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-58.3	135.8	-179	-21.2	31.3	0	0	0	108.6	T590 L594 F685	T590-P592 VanDerWaalsContact O-CD 3.26Å; T590-P592 WeakPolarHBondContact O-CD 3.41Å; P592-L594 PolarHBondContact O-N 3.31Å; P592-F685 HydrophobicContact CB-CD1 4.27Å; P592-F685 HydrophobicContact CB-CE1 3.79Å; P592-F685 HydrophobicContact CB-CZ 3.94Å; P592-F685 HydrophobicContact CG-CE1 4.43Å; P592-F685 HydrophobicContact CG-CZ 4.39Å; P592-F685 VanDerWaalsContact O-CZ 3.3Å; P592-F685 WeakPolarHBondContact O-CZ 3.12Å
593	K	75.4	Confident	64.1	Low	199 Å²	199	108.6 Å²	108.6	87%	0.865	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-62.8	124.2	173	-75	-176.1	178.4	178.2	0	107.9	L591 P595	L591-K593 PolarHBondContact O-N 3.4Å; K593-P595 WeakPolarHBondContact O-CD 3.43Å
594	L	78.2	Confident	66.6	Low	45 Å²	45	108.9 Å²	108.9	24%	0.236	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-53.3	126.1	172.8	-84.4	150.1	0	0	0	108.9	P592 A598 F685 A700 L702	P592-L594 PolarHBondContact O-N 3.31Å; L594-A598 HydrophobicContact CD2-CB 3.92Å; L594-F685 HydrophobicContact CD2-CE1 4.44Å; L594-F685 HydrophobicContact CD2-CZ 4.16Å; L594-F685 HydrophobicContact CG-CZ 4.03Å; L594-A700 HydrophobicContact CD2-CB 3.86Å; L594-L702 HydrophobicContact CD1-CB 4.25Å; L594-L702 HydrophobicContact CD1-CD1 4.1Å; L594-L702 HydrophobicContact CD1-CD2 4.27Å; L594-L702 HydrophobicContact CD1-CG 4.46Å; L594-L702 HydrophobicContact CD2-CB 4.45Å
595	P	77	Confident	69.3	Low	40 Å²	40	104.7 Å²	104.7	26%	0.26	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-54.1	142.5	172.4	-25.5	34.1	0	0	0	110.4	K593 S597 A598 M698 A700	K593-P595 WeakPolarHBondContact O-CD 3.43Å; P595-S597 PolarHBondContact O-N 3.19Å; P595-A598 WeakPolarHBondContact O-CB 3.44Å; P595-A598 PolarHBondContact O-N 2.83Å; P595-M698 HydrophobicContact CG-CE 3.87Å; P595-M698 HydrophobicContact CG-SD 4.27Å; P595-A700 HydrophobicContact CG-CB 4.44Å
596	K	76.3	Confident	72.3	Confident	225 Å²	225	99.9 Å²	99.9	98%	0.978	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.3	176.9	-67.7	-174.3	179.2	-178.5	0	113.4
597	S	75.6	Confident	74.8	Confident	109 Å²	109	94.3 Å²	94.3	76%	0.762	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	0.3	176.8	59.3	0	0	0	0	114	P595	P595-S597 PolarHBondContact O-N 3.19Å
598	A	85.5	Confident	77.5	Confident	24 Å²	24	85 Å²	85	20%	0.198	45%	0.453	C	S	.	.			trans	-70.6	126	-179.8	0	0	0	0	0	110	L594 P595 A700	L594-A598 HydrophobicContact CD2-CB 3.92Å; P595-A598 WeakPolarHBondContact O-CB 3.44Å; P595-A598 PolarHBondContact O-N 2.83Å; A598-A700 HydrophobicContact CB-CB 4.26Å; A598-A700 WeakPolarHBondContact CB-O 3.29Å
599	P	87.6	Confident	79.7	Confident	37 Å²	37	77.8 Å²	77.8	24%	0.24	42%	0.421	C	S	.	.			trans	-59.2	142.8	172.8	24.8	-35.7	0	0	0	110.9	A700 I701 L702 Y724	P599-A700 WeakPolarHBondContact CD-O 3.37Å; P599-I701 HydrophobicContact CB-CD1 4.41Å; P599-I701 HydrophobicContact CB-CG1 4.48Å; P599-I701 HydrophobicContact CG-CB 4.11Å; P599-I701 HydrophobicContact CG-CD1 3.93Å; P599-I701 HydrophobicContact CG-CG1 3.92Å; P599-L702 PolarHBondContact O-N 2.66Å; P599-Y724 HydrophobicContact CB-CE2 4.13Å; P599-Y724 HydrophobicContact CG-CE1 3.84Å; P599-Y724 HydrophobicContact CG-CE2 4.07Å; P599-Y724 WeakPolarHBondContact CG-OH 3.23Å
600	S	89.9	Confident	81.5	Confident	81 Å²	81	74.5 Å²	74.5	57%	0.566	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	114	174.8	-175.7	0	0	0	0	109	L702	S600-L702 CarbonylContact C-O 3.49Å; S600-L702 VanDerWaalsContact CA-O 3.31Å; S600-L702 WeakPolarHBondContact CA-O 3.25Å
601	I	92.6	Very high	82.9	Confident	48 Å²	48	69.7 Å²	69.7	25%	0.246	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.3	-177.4	-60.3	-174.8	0	0	0	108.9	L603 I701 L702 F703 S704 Y724	I601-L603 HydrophobicContact CG2-CD2 4.04Å; I601-I701 HydrophobicContact CD1-CD1 3.75Å; I601-I701 HydrophobicContact CG1-CD1 4.2Å; I601-L702 PolarHBondContact N-O 2.72Å; I601-F703 HydrophobicContact CB-CD1 3.9Å; I601-F703 HydrophobicContact CB-CE1 4.24Å; I601-F703 HydrophobicContact CD1-CD1 4.4Å; I601-F703 HydrophobicContact CD1-CE1 3.86Å; I601-F703 HydrophobicContact CG1-CE1 4.5Å; I601-F703 HydrophobicContact CG2-CD1 4.19Å; I601-F703 HydrophobicContact CG2-CE1 4.49Å; I601-F703 CarbonylContact O-C 3.57Å; I601-F703 VanDerWaalsContact O-CA 3.32Å; I601-F703 WeakPolarHBondContact O-CA 3.23Å; I601-S704 PolarHBondContact O-N 3.3Å; I601-Y724 HydrophobicContact CD1-CD2 3.55Å; I601-Y724 HydrophobicContact CD1-CE2 4.19Å; I601-Y724 HydrophobicContact CD1-CG 4.36Å
602	R	91.9	Very high	84.3	Confident	188 Å²	188	68 Å²	68	71%	0.709	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.1	170.7	-169.2	175.6	-176.2	-177.5	1.5	109.4
603	L	92.4	Very high	85.4	Confident	33 Å²	33	69.7 Å²	69.7	17%	0.173	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-88.7	163.7	-178.4	-59.9	168.9	0	0	0	111.2	I601 F703 S704 Q705 P706 V720 L722	I601-L603 HydrophobicContact CG2-CD2 4.04Å; L603-F703 HydrophobicContact CD1-CB 4.33Å; L603-F703 HydrophobicContact CD2-CD1 4.49Å; L603-S704 PolarHBondContact N-O 2.82Å; L603-Q705 VanDerWaalsContact CB-OE1 3.25Å; L603-Q705 HydrophobicContact CD1-CB 4.28Å; L603-Q705 VanDerWaalsContact CD1-OE1 3.29Å; L603-P706 VanDerWaalsContact O-CD 3.24Å; L603-P706 WeakPolarHBondContact O-CD 3.33Å; L603-V720 HydrophobicContact CD1-CG1 4.1Å; L603-L722 HydrophobicContact CD1-CD2 3.32Å
604	S	89.3	Confident	86.1	Confident	99 Å²	99	60.4 Å²	60.4	69%	0.692	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-66.4	139.7	173.7	-61.1	0	0	0	0	110.6	Q705	S604-Q705 PolarHBondContact O-NE2 3.03Å
605	P	89.8	Confident	86.7	Confident	83 Å²	83	62.5 Å²	62.5	54%	0.539	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-55.9	143.1	179.4	-24.7	33.6	0	0	0	113.2	P706	P605-P706 WeakPolarHBondContact CA-O 3.49Å; P605-P706 HydrophobicContact CB-CB 4.17Å; P605-P706 HydrophobicContact CG-CB 4.14Å; P605-P706 HydrophobicContact CG-CG 4.35Å
606	V	90.3	Very high	87.4	Confident	27 Å²	27	60.6 Å²	60.6	16%	0.164	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.1	176.1	176	0	0	0	0	109.1	V608 L614 P706 L707 Q708 I717 V720	V606-V608 HydrophobicContact CG1-CG1 3.96Å; V606-L614 HydrophobicContact CG1-CD1 4.44Å; V606-P706 PolarHBondContact N-O 2.93Å; V606-L707 WeakPolarHBondContact O-CA 3.48Å; V606-Q708 PolarHBondContact O-N 3.44Å; V606-I717 HydrophobicContact CG1-CD1 4.29Å; V606-I717 HydrophobicContact CG1-CG2 4.16Å; V606-V720 HydrophobicContact CG2-CG2 4.02Å
607	T	88.8	Confident	88.2	Confident	46 Å²	46	52.7 Å²	52.7	28%	0.282	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.4	174.1	-51.2	0	0	0	0	109.3	Q708 T710 I717	T607-Q708 CarbonylContact C-O 3.5Å; T607-Q708 WeakPolarHBondContact CA-O 3.38Å; T607-T710 HydrophobicContact CG2-CG2 3.66Å; T607-I717 WeakPolarHBondContact O-CD1 3.33Å
608	V	88.3	Confident	89	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.7	-178.5	-62.2	0	0	0	0	111	V606 L614 I669 L707 Q708 I709 T710 I717	V606-V608 HydrophobicContact CG1-CG1 3.96Å; V608-L614 HydrophobicContact CG1-CD1 4.08Å; V608-L614 HydrophobicContact CG1-CD2 4.26Å; V608-I669 HydrophobicContact CB-CG1 4.22Å; V608-I669 HydrophobicContact CG2-CD1 4.11Å; V608-I669 HydrophobicContact CG2-CG1 3.92Å; V608-L707 HydrophobicContact CG1-CD2 4.36Å; V608-L707 HydrophobicContact CG2-CB 4.44Å; V608-Q708 PolarHBondContact N-O 3.49Å; V608-I709 HydrophobicContact CG2-CG1 3.84Å; V608-I709 CarbonylContact O-C 3.55Å; V608-I709 WeakPolarHBondContact O-CA 3.31Å; V608-T710 PolarHBondContact O-N 3.35Å; V608-I717 HydrophobicContact CG1-CD1 3.99Å
609	C	86.4	Confident	89.2	Confident	10 Å²	10	49.7 Å²	49.7	7%	0.068	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151.1	176.8	-56.2	0	0	0	0	112.1	Q612 I669 T710 T712 Q714	C609-Q612 HydrophobicContact CB-CB 4.26Å; C609-Q612 WeakPolarHBondContact O-CB 3.39Å; C609-Q612 PolarHBondContact O-N 2.95Å; C609-Q612 VanDerWaalsContact O-N 3.15Å; C609-I669 WeakPolarHBondContact O-CB 3.44Å; C609-T710 WeakPolarHBondContact CA-O 3.46Å; C609-T712 PolarHBondContact SG-O 3.35Å; C609-Q714 PolarHBondContact SG-N 2.77Å
610	A	82.4	Confident	89.3	Confident	32 Å²	32	48.2 Å²	48.2	26%	0.264	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	137.5	167.2	0	0	0	0	0	110.2	Q612	A610-Q612 VanDerWaalsContact C-N 3.26Å; A610-Q612 PolarHBondContact O-N 3.27Å
611	G	80.5	Confident	89.2	Confident	30 Å²	30	47.9 Å²	47.9	31%	0.309	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-4.8	-175	0	0	0	0	0	115.5	I669 D671	G611-I669 WeakPolarHBondContact CA-O 3.49Å; G611-I669 PolarHBondContact N-O 3.18Å; G611-D671 WeakPolarHBondContact CA-OD1 3.43Å; G611-D671 PolarHBondContact N-OD1 3.18Å
612	Q	86.6	Confident	88.8	Confident	31 Å²	31	47 Å²	47	15%	0.145	26%	0.255	C	S	.	.			trans	-81.6	143.3	-178.8	-172.4	178.2	11	0	0	112.5	C609 A610 I669 I717	C609-Q612 HydrophobicContact CB-CB 4.26Å; C609-Q612 WeakPolarHBondContact O-CB 3.39Å; C609-Q612 PolarHBondContact O-N 2.95Å; C609-Q612 VanDerWaalsContact O-N 3.15Å; A610-Q612 VanDerWaalsContact C-N 3.26Å; A610-Q612 PolarHBondContact O-N 3.27Å; Q612-I669 WeakPolarHBondContact O-CG1 3.35Å; Q612-I669 PolarHBondContact O-N 2.83Å; Q612-I717 VanDerWaalsContact NE2-CD1 3.33Å
613	T	88.4	Confident	88.4	Confident	75 Å²	75	40.5 Å²	40.5	46%	0.46	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.5	168.4	-53.8	0	0	0	0	111.1	L667	T613-L667 CarbonylContact C-O 3.59Å
614	L	89.4	Confident	87.8	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.9	171.1	-175.6	64.7	0	0	0	110.2	V606 V608 F616 S666 L667 L707 V720	V606-L614 HydrophobicContact CG1-CD1 4.44Å; V608-L614 HydrophobicContact CG1-CD1 4.08Å; V608-L614 HydrophobicContact CG1-CD2 4.26Å; L614-F616 HydrophobicContact CD2-CE1 4.14Å; L614-F616 HydrophobicContact CD2-CE2 3.9Å; L614-F616 HydrophobicContact CD2-CZ 3.48Å; L614-F616 VanDerWaalsContact CD2-CZ 3.48Å; L614-F616 HydrophobicContact CG-CE2 4.21Å; L614-F616 HydrophobicContact CG-CZ 4.17Å; L614-S666 WeakPolarHBondContact O-CA 3.17Å; L614-L667 PolarHBondContact N-O 2.97Å; L614-L667 PolarHBondContact O-N 3.33Å; L614-L707 HydrophobicContact CD2-CD2 3.66Å; L614-V720 HydrophobicContact CD1-CG2 3.95Å
615	Q	92	Very high	87.2	Confident	89 Å²	89	42.5 Å²	42.5	42%	0.416	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.5	178.3	-70.1	-175.5	-14.2	0	0	111.2	T664 I665 P719 V720	Q615-T664 HydrophobicContact CB-CG2 3.8Å; Q615-T664 HydrophobicContact CG-CG2 4.08Å; Q615-I665 CarbonylContact C-O 3.54Å; Q615-I665 WeakPolarHBondContact CA-O 3.34Å; Q615-P719 HydrophobicContact CB-CB 4.17Å; Q615-P719 HydrophobicContact CB-CG 4.45Å; Q615-P719 CarbonylContact O-C 3.37Å; Q615-P719 WeakPolarHBondContact O-CA 3.32Å; Q615-V720 PolarHBondContact O-N 2.86Å
616	F	92.5	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.4	172.8	-60.4	-84.3	0	0	0	109.9	L614 T664 I665 L667 V682 Q705 V720 L722	L614-F616 HydrophobicContact CD2-CE1 4.14Å; L614-F616 HydrophobicContact CD2-CE2 3.9Å; L614-F616 HydrophobicContact CD2-CZ 3.48Å; L614-F616 VanDerWaalsContact CD2-CZ 3.48Å; L614-F616 HydrophobicContact CG-CE2 4.21Å; L614-F616 HydrophobicContact CG-CZ 4.17Å; F616-T664 CarbonylContact O-C 3.18Å; F616-T664 VanDerWaalsContact O-CA 3.31Å; F616-T664 WeakPolarHBondContact O-CA 3.48Å; F616-I665 HydrophobicContact CB-CB 4.21Å; F616-I665 PolarHBondContact N-O 3.48Å; F616-I665 PolarHBondContact O-N 2.85Å; F616-L667 HydrophobicContact CE2-CB 4.04Å; F616-L667 HydrophobicContact CE2-CD2 4.23Å; F616-V682 HydrophobicContact CD1-CG2 4.47Å; F616-V682 HydrophobicContact CG-CG2 4.48Å; F616-Q705 HydrophobicContact CE1-CB 3.83Å; F616-Q705 HydrophobicContact CE1-CG 3.81Å; F616-Q705 HydrophobicContact CZ-CB 4.3Å; F616-Q705 HydrophobicContact CZ-CG 4.25Å; F616-V720 CarbonylContact C-O 3.58Å; F616-V720 WeakPolarHBondContact CA-O 3.44Å; F616-V720 HydrophobicContact CD1-CB 3.86Å; F616-V720 HydrophobicContact CD1-CG1 3.99Å; F616-V720 HydrophobicContact CE1-CB 4.25Å; F616-V720 HydrophobicContact CE1-CG1 4.24Å; F616-L722 HydrophobicContact CB-CD1 3.77Å; F616-L722 HydrophobicContact CB-CG 4.09Å; F616-L722 HydrophobicContact CD1-CD1 4.23Å; F616-L722 HydrophobicContact CD1-CD2 4.03Å; F616-L722 HydrophobicContact CD1-CG 4.27Å; F616-L722 HydrophobicContact CG-CD1 4.31Å
617	K	92.4	Very high	86.5	Confident	60 Å²	60	45.1 Å²	45.1	26%	0.261	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115	179.3	-161.2	-180	-161.6	-164.7	0	110.4	R619 Q662 P719 V720 L722	K617-R619 PolarHBondContact O-N 3.15Å; K617-Q662 HydrophobicContact CD-CB 4.37Å; K617-Q662 HydrophobicContact CG-CB 4.21Å; K617-P719 HydrophobicContact CB-CB 4.28Å; K617-V720 PolarHBondContact N-O 2.9Å; K617-L722 PolarHBondContact O-N 2.81Å
618	L	91.3	Very high	86.3	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.8	178.2	-69.5	171.3	0	0	0	110.6	L620 I656 Q662 P663 I665 V684 L722	L618-L620 HydrophobicContact CD2-CD1 4.37Å; L618-I656 HydrophobicContact CD1-CD1 4.02Å; L618-Q662 VanDerWaalsContact O-CA 3.25Å; L618-Q662 WeakPolarHBondContact O-CA 3.49Å; L618-P663 HydrophobicContact CB-CG 3.99Å; L618-P663 WeakPolarHBondContact CB-O 3.32Å; L618-P663 HydrophobicContact CD1-CB 4.46Å; L618-P663 HydrophobicContact CD1-CG 3.91Å; L618-P663 PolarHBondContact N-O 3.04Å; L618-I665 HydrophobicContact CD1-CD1 3.82Å; L618-I665 HydrophobicContact CD1-CG1 4.3Å; L618-I665 HydrophobicContact CD2-CD1 4.39Å; L618-I665 HydrophobicContact CG-CD1 4.11Å; L618-V684 HydrophobicContact CD2-CG2 3.75Å; L618-L722 HydrophobicContact CD2-CB 3.9Å; L618-L722 HydrophobicContact CD2-CD1 3.67Å; L618-L722 HydrophobicContact CD2-CG 4.39Å; L618-L722 HydrophobicContact CG-CD1 4.5Å
619	R	90.8	Very high	85.8	Confident	67 Å²	67	45.6 Å²	45.6	25%	0.253	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	84.1	173.3	-72	-168.6	175.8	170.1	7.8	109.5	K617 Q662 E721 L722 R723 Y724	K617-R619 PolarHBondContact O-N 3.15Å; R619-Q662 HydrophobicContact CG-CG 4.18Å; R619-E721 IonicContact CZ-OE1 2.78Å; R619-E721 IonicContact CZ-OE2 3.87Å; R619-E721 IonicContact NE-OE1 2.66Å; R619-E721 IonicContact NE-OE2 3.69Å; R619-E721 IonicContact NH1-OE1 2.88Å; R619-E721 PolarHBondContact NH1-OE1 3.13Å; R619-E721 IonicContact NH1-OE2 2.99Å; R619-E721 PolarHBondContact NH1-OE2 3.41Å; R619-E721 IonicContact NH2-OE1 2.79Å; R619-E721 PolarHBondContact NH2-OE1 3.19Å; R619-L722 PolarHBondContact N-O 2.88Å; R619-R723 HydrophobicContact CB-CB 4.35Å; R619-R723 HydrophobicContact CB-CG 4.11Å; R619-R723 VanDerWaalsContact O-CA 3.27Å; R619-R723 WeakPolarHBondContact O-CA 3.43Å; R619-Y724 PolarHBondContact O-N 2.81Å
620	L	90.2	Very high	85	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	-175.4	-55.7	177.6	0	0	0	109.7	L618 V684 L686 F703 Y724 F726	L618-L620 HydrophobicContact CD2-CD1 4.37Å; L620-V684 HydrophobicContact CD1-CB 4.4Å; L620-V684 HydrophobicContact CD1-CG1 3.69Å; L620-L686 HydrophobicContact CB-CD1 4.32Å; L620-L686 HydrophobicContact CD1-CD1 3.99Å; L620-L686 HydrophobicContact CD1-CD2 4.47Å; L620-L686 HydrophobicContact CD1-CG 4.46Å; L620-F703 HydrophobicContact CD2-CE2 4.25Å; L620-F703 HydrophobicContact CD2-CZ 4.04Å; L620-Y724 WeakPolarHBondContact CA-O 3.47Å; L620-F726 HydrophobicContact CB-CE2 4.19Å; L620-F726 HydrophobicContact CD1-CE2 4.24Å; L620-F726 HydrophobicContact CD2-CE2 4.11Å; L620-F726 HydrophobicContact CG-CE2 4.41Å
621	D	86.6	Confident	84.1	Confident	75 Å²	75	55.2 Å²	55.2	40%	0.401	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.5	176.8	-64.2	-47.9	0	0	0	109.6	Y724 V725 F726	D621-Y724 PolarHBondContact N-O 3.41Å; D621-V725 HydrophobicContact CB-CB 4.39Å; D621-V725 HydrophobicContact CB-CG1 4.1Å; D621-V725 HydrophobicContact CB-CG2 4.11Å; D621-F726 PolarHBondContact O-N 2.91Å
622	L	85.2	Confident	83.8	Confident	29 Å²	29	57.1 Å²	57.1	15%	0.152	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-92.9	158.2	173.9	-69	177.2	0	0	0	111	L628 I659 L686 Y688 F726	L622-L628 HydrophobicContact CD1-CD2 3.89Å; L622-L628 HydrophobicContact CD1-CG 4.49Å; L622-I659 HydrophobicContact CB-CD1 4.26Å; L622-I659 HydrophobicContact CD1-CD1 3.49Å; L622-I659 VanDerWaalsContact CD1-CD1 3.49Å; L622-I659 HydrophobicContact CG-CD1 3.49Å; L622-I659 VanDerWaalsContact CG-CD1 3.49Å; L622-L686 HydrophobicContact CD2-CD1 3.9Å; L622-Y688 HydrophobicContact CD1-CD1 4.43Å; L622-Y688 HydrophobicContact CD1-CG 4.1Å; L622-Y688 HydrophobicContact CD2-CD1 3.57Å; L622-Y688 HydrophobicContact CD2-CD2 4.41Å; L622-Y688 HydrophobicContact CD2-CE1 3.72Å; L622-Y688 HydrophobicContact CD2-CG 3.94Å; L622-F726 HydrophobicContact CD2-CB 4.37Å; L622-F726 HydrophobicContact CD2-CD2 4.3Å
623	P	82.7	Confident	83.6	Confident	52 Å²	52	59.1 Å²	59.1	34%	0.338	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-53.9	142.7	171.2	-24.8	33.2	0	0	0	112.1	G625 S626 Y688	P623-G625 PolarHBondContact O-N 2.83Å; P623-S626 WeakPolarHBondContact O-CB 3.28Å; P623-S626 PolarHBondContact O-N 2.66Å; P623-S626 PolarHBondContact O-OG 3.01Å; P623-Y688 HydrophobicContact CG-CE2 4.32Å
624	S	79.1	Confident	83.6	Confident	125 Å²	125	55.6 Å²	55.6	87%	0.874	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	134.7	-179.2	-55.6	0	0	0	0	112
625	G	76.9	Confident	83.7	Confident	48 Å²	48	55.9 Å²	55.9	50%	0.495	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	15.1	-178.2	0	0	0	0	0	115.1	P623 A691	P623-G625 PolarHBondContact O-N 2.83Å; G625-A691 WeakPolarHBondContact O-CB 3.26Å; G625-A691 PolarHBondContact O-N 3.31Å
626	S	82.5	Confident	83.7	Confident	30 Å²	30	53.2 Å²	53.2	21%	0.21	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.2	177.4	-55.9	0	0	0	0	112.6	P623 C689	P623-S626 WeakPolarHBondContact O-CB 3.28Å; P623-S626 PolarHBondContact O-N 2.66Å; P623-S626 PolarHBondContact O-OG 3.01Å; S626-C689 WeakPolarHBondContact CA-O 3.2Å
627	K	82.8	Confident	83.6	Confident	135 Å²	135	53.8 Å²	53.8	59%	0.587	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	143.3	172.2	-170.2	-175	168.1	-165	0	110.4	E630 Y688 C689	K627-E630 IonicContact NZ-OE1 3.85Å; K627-E630 PolarHBondContact NZ-OE1 3.44Å; K627-Y688 CarbonylContact O-C 3.57Å; K627-Y688 VanDerWaalsContact O-CA 3.22Å; K627-Y688 WeakPolarHBondContact O-CA 3.33Å; K627-Y688 WeakPolarHBondContact O-CB 3.39Å; K627-C689 PolarHBondContact N-O 3.26Å; K627-C689 VanDerWaalsContact N-O 3.08Å; K627-C689 PolarHBondContact O-N 2.8Å
628	L	85.1	Confident	83.5	Confident	27 Å²	27	51.4 Å²	51.4	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	144.6	171.8	-63.8	-180	0	0	0	110.8	L622 I659 L686 Y687	L622-L628 HydrophobicContact CD1-CD2 3.89Å; L622-L628 HydrophobicContact CD1-CG 4.49Å; L628-I659 HydrophobicContact CD1-CG2 4.31Å; L628-L686 HydrophobicContact CD2-CD2 4.43Å; L628-Y687 WeakPolarHBondContact CA-O 3.36Å
629	T	79.1	Confident	83.4	Confident	30 Å²	30	54.3 Å²	54.3	18%	0.184	32%	0.318	C	S	.	.			trans	-77.1	132.8	-178.5	54.7	0	0	0	0	112	V632 Y687 C689 C696	T629-V632 PolarHBondContact OG1-O 2.84Å; T629-Y687 PolarHBondContact N-O 3.48Å; T629-Y687 WeakPolarHBondContact OG1-CB 3.27Å; T629-Y687 PolarHBondContact OG1-O 2.91Å; T629-C689 WeakPolarHBondContact CG2-SG 3.48Å; T629-C696 HydrophobicContact CG2-CB 4.4Å
630	E	68.6	Low	83.1	Confident	169 Å²	169	51.3 Å²	51.3	79%	0.79	31%	0.307	S	S	*	.	S	Bend	trans	-77.7	-23.9	176.5	-70.1	171.7	-165.6	0	0	112.6	K627	K627-E630 IonicContact NZ-OE1 3.85Å; K627-E630 PolarHBondContact NZ-OE1 3.44Å
631	G	64	Low	82.4	Confident	76 Å²	76	58 Å²	58	78%	0.784	34%	0.338	S	S	*	.	S	Bend	trans	-86.5	-12	-177.6	0	0	0	0	0	116.2
632	V	74.6	Confident	81.9	Confident	69 Å²	69	57.1 Å²	57.1	42%	0.418	35%	0.347	S	S	.	.	S	Bend	trans	-143.4	118.3	176.6	-178.2	0	0	0	0	108.8	T629 Y687	T629-V632 PolarHBondContact OG1-O 2.84Å; V632-Y687 HydrophobicContact CB-CG 4.4Å; V632-Y687 HydrophobicContact CG1-CD1 4.02Å; V632-Y687 HydrophobicContact CG1-CD2 3.92Å; V632-Y687 HydrophobicContact CG1-CE1 4.07Å; V632-Y687 HydrophobicContact CG1-CE2 4Å; V632-Y687 HydrophobicContact CG1-CG 3.95Å
633	P	80.8	Confident	81.8	Confident	73 Å²	73	56.9 Å²	56.9	47%	0.474	35%	0.346	S	S	.	.			trans	-71.8	134.8	-175.4	27.8	-33.4	0	0	0	111.5
634	S	88.8	Confident	81.8	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147	164	-64.2	0	0	0	0	109.3	D655 I656 F685 L686 Y687	S634-D655 CarbonylContact O-C 3.58Å; S634-D655 WeakPolarHBondContact O-CA 3.19Å; S634-I656 PolarHBondContact O-N 2.99Å; S634-F685 CarbonylContact C-O 3.55Å; S634-F685 VanDerWaalsContact CA-O 3.29Å; S634-F685 WeakPolarHBondContact CA-O 3.48Å; S634-F685 WeakPolarHBondContact CB-O 3.32Å; S634-L686 WeakPolarHBondContact OG-CA 3.12Å; S634-Y687 PolarHBondContact OG-N 2.68Å
635	C	91.6	Very high	82	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.068	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.3	-171.7	51.3	0	0	0	0	112.9	F637 G654 F685	C635-F637 HydrophobicContact CB-CE2 4.27Å; C635-F637 VanDerWaalsContact SG-CE2 3.55Å; C635-G654 CarbonylContact C-O 3.51Å; C635-G654 WeakPolarHBondContact CA-O 3.39Å; C635-G654 VanDerWaalsContact CB-O 3.28Å; C635-G654 WeakPolarHBondContact CB-O 3.36Å; C635-F685 PolarHBondContact N-O 3.03Å; C635-F685 PolarHBondContact O-N 2.78Å
636	W	92.3	Very high	82.2	Confident	32 Å²	32	53.6 Å²	53.6	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.5	173	59.6	-95.3	0	0	0	111.1	L638 S653 G654 I656 I665 S683 V684	W636-L638 HydrophobicContact CE3-CG 4.24Å; W636-L638 HydrophobicContact CZ3-CD1 3.99Å; W636-L638 HydrophobicContact CZ3-CG 3.85Å; W636-S653 CarbonylContact O-C 3.57Å; W636-S653 WeakPolarHBondContact O-CA 3.2Å; W636-S653 WeakPolarHBondContact O-CB 3.03Å; W636-G654 VanDerWaalsContact CE2-CA 3.5Å; W636-G654 PolarHBondContact N-O 3.34Å; W636-G654 PolarHBondContact O-N 3.31Å; W636-I656 HydrophobicContact CB-CD1 4.35Å; W636-I665 HydrophobicContact CB-CD1 3.97Å; W636-I665 HydrophobicContact CD2-CD1 3.51Å; W636-I665 HydrophobicContact CD2-CG1 3.72Å; W636-I665 HydrophobicContact CD2-CG2 4.32Å; W636-I665 HydrophobicContact CE3-CD1 3.81Å; W636-I665 HydrophobicContact CE3-CG1 4.13Å; W636-I665 HydrophobicContact CE3-CG2 3.9Å; W636-I665 HydrophobicContact CG-CD1 3.57Å; W636-I665 HydrophobicContact CG-CG1 4.07Å; W636-I665 HydrophobicContact CH2-CG2 3.67Å; W636-I665 HydrophobicContact CZ2-CG1 4.12Å; W636-I665 HydrophobicContact CZ2-CG2 4.07Å; W636-I665 HydrophobicContact CZ3-CG2 3.57Å; W636-S683 CarbonylContact C-O 3.57Å; W636-S683 WeakPolarHBondContact CA-O 3.45Å; W636-V684 HydrophobicContact CB-CG2 4.11Å
637	F	91.1	Very high	82.2	Confident	12 Å²	12	53.5 Å²	53.5	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.8	178.8	-59.5	-94.2	0	0	0	110.9	K589 L591 C635 P652 V682 S683 F685	K589-F637 HydrophobicContact CB-CE1 4.19Å; K589-F637 HydrophobicContact CB-CZ 4.32Å; L591-F637 HydrophobicContact CD1-CB 3.48Å; L591-F637 VanDerWaalsContact CD1-CB 3.48Å; L591-F637 HydrophobicContact CD1-CD1 3.29Å; L591-F637 HydrophobicContact CD1-CD2 3.42Å; L591-F637 VanDerWaalsContact CD1-CD2 3.42Å; L591-F637 HydrophobicContact CD1-CE1 3.77Å; L591-F637 HydrophobicContact CD1-CE2 3.88Å; L591-F637 HydrophobicContact CD1-CG 3.1Å; L591-F637 HydrophobicContact CD1-CZ 4.04Å; C635-F637 HydrophobicContact CB-CE2 4.27Å; C635-F637 VanDerWaalsContact SG-CE2 3.55Å; F637-P652 CarbonylContact C-O 3.49Å; F637-P652 VanDerWaalsContact CA-O 3.29Å; F637-P652 WeakPolarHBondContact CA-O 3.41Å; F637-V682 CarbonylContact O-C 3.52Å; F637-V682 WeakPolarHBondContact O-CA 3.35Å; F637-S683 PolarHBondContact N-O 3.37Å; F637-S683 PolarHBondContact O-N 3.29Å; F637-F685 AromaticContact CD2-CD2 3.77Å; F637-F685 HydrophobicContact CD2-CD2 3.77Å; F637-F685 AromaticContact CD2-CE2 3.73Å; F637-F685 HydrophobicContact CD2-CE2 3.73Å; F637-F685 AromaticContact CE2-CD2 3.75Å; F637-F685 HydrophobicContact CE2-CD2 3.75Å; F637-F685 AromaticContact CE2-CE2 3.92Å; F637-F685 HydrophobicContact CE2-CE2 3.92Å
638	L	90.7	Very high	81.8	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.5	171.4	-67.8	172.4	0	0	0	110.4	W636 L647 P652 I665 L667 V680 S681 V682	W636-L638 HydrophobicContact CE3-CG 4.24Å; W636-L638 HydrophobicContact CZ3-CD1 3.99Å; W636-L638 HydrophobicContact CZ3-CG 3.85Å; L638-L647 HydrophobicContact CB-CD1 4.22Å; L638-L647 HydrophobicContact CB-CD2 3.9Å; L638-L647 HydrophobicContact CD1-CD2 4.25Å; L638-P652 PolarHBondContact N-O 3.32Å; L638-I665 HydrophobicContact CD1-CG2 3.98Å; L638-I665 HydrophobicContact CD2-CG2 4.21Å; L638-I665 HydrophobicContact CG-CG2 4.26Å; L638-L667 HydrophobicContact CD1-CD1 4.32Å; L638-V680 HydrophobicContact CD2-CG1 4.02Å; L638-S681 CarbonylContact C-O 3.56Å; L638-S681 WeakPolarHBondContact CA-O 3.46Å; L638-V682 HydrophobicContact CD2-CB 4.4Å; L638-V682 HydrophobicContact CD2-CG1 4.37Å; L638-V682 HydrophobicContact CD2-CG2 3.69Å
639	R	87.8	Confident	81	Confident	63 Å²	63	57.1 Å²	57.1	24%	0.238	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.7	171.2	-60.5	-173.6	-170.6	-156.5	-2.6	109.8	L591 E641 V680 S681	L591-R639 HydrophobicContact CD2-CG 4.45Å; L591-R639 VanDerWaalsContact CG-NH2 3.31Å; R639-E641 IonicContact NH1-OE1 2.77Å; R639-V680 CarbonylContact O-C 3.58Å; R639-V680 WeakPolarHBondContact O-CA 3.27Å; R639-S681 PolarHBondContact N-O 2.92Å; R639-S681 PolarHBondContact O-N 2.89Å
640	A	85.1	Confident	81.2	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	34%	0.338	C	S	.	.			trans	-138	73.6	170.6	0	0	0	0	0	107.7	G642 N643 E644 L646 L647 V680	A640-G642 PolarHBondContact O-N 3.47Å; A640-N643 HydrophobicContact CB-CB 4.13Å; A640-N643 VanDerWaalsContact CB-O 3.26Å; A640-N643 WeakPolarHBondContact CB-O 3.21Å; A640-N643 CarbonylContact O-C 3.54Å; A640-N643 WeakPolarHBondContact O-CA 3.34Å; A640-N643 PolarHBondContact O-N 3.32Å; A640-E644 PolarHBondContact O-N 3.4Å; A640-E644 VanDerWaalsContact O-N 3.14Å; A640-L646 HydrophobicContact CB-CB 4.31Å; A640-L646 HydrophobicContact CB-CD1 4.36Å; A640-L647 HydrophobicContact CB-CD1 4.17Å; A640-L647 HydrophobicContact CB-CG 4.21Å; A640-V680 HydrophobicContact CB-CG2 4.44Å
641	E	76.3	Confident	81.5	Confident	146 Å²	146	56.7 Å²	56.7	68%	0.682	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	121.7	-176.7	-71.3	-179.2	-174	0	0	109.9	R639 N643	R639-E641 IonicContact NH1-OE1 2.77Å; E641-N643 PolarHBondContact O-N 2.72Å
642	G	75.3	Confident	82.6	Confident	57 Å²	57	55.8 Å²	55.8	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	4	-173.3	0	0	0	0	0	114.9	A640 E644	A640-G642 PolarHBondContact O-N 3.47Å; G642-E644 WeakPolarHBondContact CA-OE2 3.28Å; G642-E644 PolarHBondContact N-OE1 3.05Å
643	N	82.4	Confident	83.3	Confident	24 Å²	24	54 Å²	54	13%	0.128	31%	0.306	C	S	.	.			trans	-139.2	39.1	176.2	-64.2	-78.7	0	0	0	110.9	A640 E641 W645 L646 A678	A640-N643 HydrophobicContact CB-CB 4.13Å; A640-N643 VanDerWaalsContact CB-O 3.26Å; A640-N643 WeakPolarHBondContact CB-O 3.21Å; A640-N643 CarbonylContact O-C 3.54Å; A640-N643 WeakPolarHBondContact O-CA 3.34Å; A640-N643 PolarHBondContact O-N 3.32Å; E641-N643 PolarHBondContact O-N 2.72Å; N643-W645 PolarHBondContact O-N 3.31Å; N643-W645 VanDerWaalsContact O-N 3.1Å; N643-L646 HydrophobicContact CB-CD1 4.01Å; N643-L646 WeakPolarHBondContact O-CB 3.3Å; N643-L646 PolarHBondContact O-N 3.08Å; N643-A678 HydrophobicContact CB-CB 4.02Å
644	E	82.9	Confident	83.6	Confident	123 Å²	123	51.4 Å²	51.4	58%	0.575	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.9	-170.1	-66.4	78.3	-172.9	0	0	112.9	A640 G642 L646 L647	A640-E644 PolarHBondContact O-N 3.4Å; A640-E644 VanDerWaalsContact O-N 3.14Å; G642-E644 WeakPolarHBondContact CA-OE2 3.28Å; G642-E644 PolarHBondContact N-OE1 3.05Å; E644-L646 PolarHBondContact O-N 3.45Å; E644-L646 VanDerWaalsContact O-N 3.11Å; E644-L647 PolarHBondContact O-N 3.43Å
645	W	83.1	Confident	83.6	Confident	33 Å²	33	55 Å²	55	13%	0.125	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-53.6	-26.6	173.3	62.6	-93.4	0	0	0	113.4	N643 L647 Q648 P670 C673 L674 I709	N643-W645 PolarHBondContact O-N 3.31Å; N643-W645 VanDerWaalsContact O-N 3.1Å; W645-L647 PolarHBondContact O-N 3.32Å; W645-Q648 PolarHBondContact O-N 3.21Å; W645-P670 HydrophobicContact CE3-CG 4.13Å; W645-P670 HydrophobicContact CZ3-CB 4.46Å; W645-P670 HydrophobicContact CZ3-CG 4.11Å; W645-C673 HydrophobicContact CH2-CB 3.66Å; W645-C673 HydrophobicContact CZ3-CB 3.9Å; W645-L674 HydrophobicContact CB-CD1 3.71Å; W645-L674 HydrophobicContact CB-CG 4.38Å; W645-L674 HydrophobicContact CD2-CB 4.02Å; W645-L674 HydrophobicContact CD2-CD1 4.38Å; W645-L674 HydrophobicContact CD2-CG 4.19Å; W645-L674 HydrophobicContact CG-CB 4.09Å; W645-L674 HydrophobicContact CG-CD1 3.72Å; W645-L674 HydrophobicContact CG-CG 4.05Å; W645-L674 HydrophobicContact CZ2-CB 4.45Å; W645-I709 HydrophobicContact CH2-CD1 3.75Å; W645-I709 HydrophobicContact CZ2-CD1 4.4Å
646	L	81.4	Confident	83.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.7	175.9	-79.1	171.4	0	0	0	113.9	A640 N643 E644 Q650 I669 A678 V680 I709	A640-L646 HydrophobicContact CB-CB 4.31Å; A640-L646 HydrophobicContact CB-CD1 4.36Å; N643-L646 HydrophobicContact CB-CD1 4.01Å; N643-L646 WeakPolarHBondContact O-CB 3.3Å; N643-L646 PolarHBondContact O-N 3.08Å; E644-L646 PolarHBondContact O-N 3.45Å; E644-L646 VanDerWaalsContact O-N 3.11Å; L646-Q650 PolarHBondContact O-NE2 3.38Å; L646-I669 HydrophobicContact CD2-CD1 4.38Å; L646-A678 HydrophobicContact CD1-CB 3.44Å; L646-A678 VanDerWaalsContact CD1-CB 3.44Å; L646-V680 HydrophobicContact CD1-CG2 3.79Å; L646-I709 HydrophobicContact CD2-CD1 4.32Å
647	L	83.3	Confident	82.9	Confident	29 Å²	29	62 Å²	62	15%	0.152	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-105.4	0	-175.1	-56.7	-179.8	0	0	0	112.6	L638 A640 E644 W645 G649 Q650 L667	L638-L647 HydrophobicContact CB-CD1 4.22Å; L638-L647 HydrophobicContact CB-CD2 3.9Å; L638-L647 HydrophobicContact CD1-CD2 4.25Å; A640-L647 HydrophobicContact CB-CD1 4.17Å; A640-L647 HydrophobicContact CB-CG 4.21Å; E644-L647 PolarHBondContact O-N 3.43Å; W645-L647 PolarHBondContact O-N 3.32Å; L647-G649 PolarHBondContact O-N 2.84Å; L647-Q650 PolarHBondContact O-N 2.62Å; L647-L667 HydrophobicContact CD2-CD1 3.63Å
648	Q	74.4	Confident	82.3	Confident	150 Å²	150	65.3 Å²	65.3	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	128	-177.7	-166.9	172	2.7	0	0	110.7	W645 Q650	W645-Q648 PolarHBondContact O-N 3.21Å; Q648-Q650 VanDerWaalsContact C-N 3.29Å; Q648-Q650 PolarHBondContact O-N 3.16Å
649	G	68.6	Low	82	Confident	87 Å²	87	66 Å²	66	90%	0.897	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	9	-178.3	0	0	0	0	0	115.1	L647	L647-G649 PolarHBondContact O-N 2.84Å
650	Q	82.3	Confident	81.4	Confident	45 Å²	45	68 Å²	68	21%	0.21	39%	0.389	C	S	.	.	S	Bend	trans	-120.4	157	179.9	-62.6	-179.8	59.4	0	0	111.4	L646 L647 Q648 P652 Q668	L646-Q650 PolarHBondContact O-NE2 3.38Å; L647-Q650 PolarHBondContact O-N 2.62Å; Q648-Q650 VanDerWaalsContact C-N 3.29Å; Q648-Q650 PolarHBondContact O-N 3.16Å; Q650-P652 WeakPolarHBondContact O-CD 3.06Å; Q650-Q668 PolarHBondContact NE2-O 2.93Å; Q650-Q668 PolarHBondContact OE1-O 3.18Å
651	M	75.8	Confident	81	Confident	145 Å²	145	71.6 Å²	71.6	71%	0.714	42%	0.415	S	S	*	.			trans	-75.7	107.9	176.1	-78	-77.5	-62.2	0	0	110.3	S653	M651-S653 PolarHBondContact O-N 2.76Å
652	P	85.4	Confident	81.3	Confident	58 Å²	58	67.7 Å²	67.7	38%	0.377	40%	0.396	S	S	.	.			trans	-87.2	9.6	-174.1	37.4	-34.3	0	0	0	112.6	F637 L638 Q650	F637-P652 CarbonylContact C-O 3.49Å; F637-P652 VanDerWaalsContact CA-O 3.29Å; F637-P652 WeakPolarHBondContact CA-O 3.41Å; L638-P652 PolarHBondContact N-O 3.32Å; Q650-P652 WeakPolarHBondContact O-CD 3.06Å
653	S	90.2	Very high	81.8	Confident	31 Å²	31	66.4 Å²	66.4	22%	0.217	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	156.6	179.9	64.7	0	0	0	0	112.2	W636 M651	W636-S653 CarbonylContact O-C 3.57Å; W636-S653 WeakPolarHBondContact O-CA 3.2Å; W636-S653 WeakPolarHBondContact O-CB 3.03Å; M651-S653 PolarHBondContact O-N 2.76Å
654	G	87.9	Confident	82.1	Confident	18 Å²	18	68.4 Å²	68.4	19%	0.186	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	169	174.3	0	0	0	0	0	112.6	C635 W636	C635-G654 CarbonylContact C-O 3.51Å; C635-G654 WeakPolarHBondContact CA-O 3.39Å; C635-G654 VanDerWaalsContact CB-O 3.28Å; C635-G654 WeakPolarHBondContact CB-O 3.36Å; W636-G654 VanDerWaalsContact CE2-CA 3.5Å; W636-G654 PolarHBondContact N-O 3.34Å; W636-G654 PolarHBondContact O-N 3.31Å
655	D	89.1	Confident	82.5	Confident	77 Å²	77	62.6 Å²	62.6	41%	0.412	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	154.7	179.9	-67.1	-37	0	0	0	111.7	K589 S634	K589-D655 IonicContact NZ-OD1 3.89Å; K589-D655 PolarHBondContact NZ-OD1 2.85Å; K589-D655 IonicContact NZ-OD2 3.69Å; K589-D655 PolarHBondContact NZ-OD2 2.75Å; S634-D655 CarbonylContact O-C 3.58Å; S634-D655 WeakPolarHBondContact O-CA 3.19Å
656	I	86.6	Confident	82.9	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.036	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	95.9	179	-59.1	174.2	0	0	0	107.2	L618 S634 W636 I659 P663 V684 L686	L618-I656 HydrophobicContact CD1-CD1 4.02Å; S634-I656 PolarHBondContact O-N 2.99Å; W636-I656 HydrophobicContact CB-CD1 4.35Å; I656-I659 HydrophobicContact CG2-CG2 3.83Å; I656-P663 HydrophobicContact CG2-CG 4.25Å; I656-V684 HydrophobicContact CD1-CG1 3.43Å; I656-V684 VanDerWaalsContact CD1-CG1 3.43Å; I656-L686 HydrophobicContact CD1-CD2 3.97Å; I656-L686 HydrophobicContact CG2-CD2 4.37Å
657	E	81.4	Confident	83.3	Confident	184 Å²	184	64.1 Å²	64.1	86%	0.86	38%	0.379	S	S	*	.	S	Bend	trans	-77.1	-35.6	178.9	-62.4	-179.7	176.3	0	0	111.8
658	N	79.5	Confident	83.6	Confident	80 Å²	80	67.7 Å²	67.7	43%	0.428	40%	0.395	S	S	.	.			trans	-149.2	127.8	-178	-166	-21.2	0	0	0	110.7	S660 S661	N658-S660 VanDerWaalsContact OD1-CB 3.23Å; N658-S660 WeakPolarHBondContact OD1-CB 3.22Å; N658-S660 PolarHBondContact OD1-N 3.43Å; N658-S660 PolarHBondContact OD1-OG 3.35Å; N658-S661 PolarHBondContact O-OG 2.94Å
659	I	82.6	Confident	84.2	Confident	26 Å²	26	60.5 Å²	60.5	13%	0.133	36%	0.362	C	S	.	.	S	Bend	trans	-81.9	-25.1	175.4	53.3	173.9	0	0	0	112.5	L622 L628 I656 S661 Q662 L686	L622-I659 HydrophobicContact CB-CD1 4.26Å; L622-I659 HydrophobicContact CD1-CD1 3.49Å; L622-I659 VanDerWaalsContact CD1-CD1 3.49Å; L622-I659 HydrophobicContact CG-CD1 3.49Å; L622-I659 VanDerWaalsContact CG-CD1 3.49Å; L628-I659 HydrophobicContact CD1-CG2 4.31Å; I656-I659 HydrophobicContact CG2-CG2 3.83Å; I659-S661 PolarHBondContact O-N 3.24Å; I659-Q662 PolarHBondContact O-N 2.8Å; I659-Q662 VanDerWaalsContact O-N 3.12Å; I659-L686 HydrophobicContact CG2-CD1 4.43Å; I659-L686 HydrophobicContact CG2-CD2 4.25Å
660	S	76.4	Confident	85	Confident	103 Å²	103	58 Å²	58	72%	0.72	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23	179.7	-54.8	0	0	0	0	112.6	N658 Q662	N658-S660 VanDerWaalsContact OD1-CB 3.23Å; N658-S660 WeakPolarHBondContact OD1-CB 3.22Å; N658-S660 PolarHBondContact OD1-N 3.43Å; N658-S660 PolarHBondContact OD1-OG 3.35Å; S660-Q662 PolarHBondContact O-N 2.86Å
661	S	76.9	Confident	84.9	Confident	81 Å²	81	61.5 Å²	61.5	57%	0.566	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.6	174.9	58.2	0	0	0	0	113.5	N658 I659	N658-S661 PolarHBondContact O-OG 2.94Å; I659-S661 PolarHBondContact O-N 3.24Å
662	Q	82.1	Confident	85	Confident	63 Å²	63	61.5 Å²	61.5	29%	0.294	35%	0.353	S	S	.	.			trans	50.4	67.6	-178.7	-59.1	-176.6	-5.2	0	0	112.6	K617 L618 R619 I659 S660	K617-Q662 HydrophobicContact CD-CB 4.37Å; K617-Q662 HydrophobicContact CG-CB 4.21Å; L618-Q662 VanDerWaalsContact O-CA 3.25Å; L618-Q662 WeakPolarHBondContact O-CA 3.49Å; R619-Q662 HydrophobicContact CG-CG 4.18Å; I659-Q662 PolarHBondContact O-N 2.8Å; I659-Q662 VanDerWaalsContact O-N 3.12Å; S660-Q662 PolarHBondContact O-N 2.86Å
663	P	86.2	Confident	84.6	Confident	30 Å²	30	60.6 Å²	60.6	20%	0.195	35%	0.347	C	S	.	.			trans	-57.7	143.7	-172.1	18.7	-26.7	0	0	0	111.7	L618 I656	L618-P663 HydrophobicContact CB-CG 3.99Å; L618-P663 WeakPolarHBondContact CB-O 3.32Å; L618-P663 HydrophobicContact CD1-CB 4.46Å; L618-P663 HydrophobicContact CD1-CG 3.91Å; L618-P663 PolarHBondContact N-O 3.04Å; I656-P663 HydrophobicContact CG2-CG 4.25Å
664	T	89.1	Confident	84.1	Confident	67 Å²	67	65.6 Å²	65.6	41%	0.411	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.7	-177.6	-56.9	0	0	0	0	110.1	Q615 F616	Q615-T664 HydrophobicContact CB-CG2 3.8Å; Q615-T664 HydrophobicContact CG-CG2 4.08Å; F616-T664 CarbonylContact O-C 3.18Å; F616-T664 VanDerWaalsContact O-CA 3.31Å; F616-T664 WeakPolarHBondContact O-CA 3.48Å
665	I	91.1	Very high	83.9	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123	176	-55.4	166.7	0	0	0	107.5	Q615 F616 L618 W636 L638 V682	Q615-I665 CarbonylContact C-O 3.54Å; Q615-I665 WeakPolarHBondContact CA-O 3.34Å; F616-I665 HydrophobicContact CB-CB 4.21Å; F616-I665 PolarHBondContact N-O 3.48Å; F616-I665 PolarHBondContact O-N 2.85Å; L618-I665 HydrophobicContact CD1-CD1 3.82Å; L618-I665 HydrophobicContact CD1-CG1 4.3Å; L618-I665 HydrophobicContact CD2-CD1 4.39Å; L618-I665 HydrophobicContact CG-CD1 4.11Å; W636-I665 HydrophobicContact CB-CD1 3.97Å; W636-I665 HydrophobicContact CD2-CD1 3.51Å; W636-I665 HydrophobicContact CD2-CG1 3.72Å; W636-I665 HydrophobicContact CD2-CG2 4.32Å; W636-I665 HydrophobicContact CE3-CD1 3.81Å; W636-I665 HydrophobicContact CE3-CG1 4.13Å; W636-I665 HydrophobicContact CE3-CG2 3.9Å; W636-I665 HydrophobicContact CG-CD1 3.57Å; W636-I665 HydrophobicContact CG-CG1 4.07Å; W636-I665 HydrophobicContact CH2-CG2 3.67Å; W636-I665 HydrophobicContact CZ2-CG1 4.12Å; W636-I665 HydrophobicContact CZ2-CG2 4.07Å; W636-I665 HydrophobicContact CZ3-CG2 3.57Å; L638-I665 HydrophobicContact CD1-CG2 3.98Å; L638-I665 HydrophobicContact CD2-CG2 4.21Å; L638-I665 HydrophobicContact CG-CG2 4.26Å; I665-V682 HydrophobicContact CD1-CG1 3.59Å
666	S	90.9	Very high	83.6	Confident	64 Å²	64	68.5 Å²	68.5	45%	0.448	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.1	178.9	-61.8	0	0	0	0	110.4	L614	L614-S666 WeakPolarHBondContact O-CA 3.17Å
667	L	90.3	Very high	83.6	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.1	173.5	176.3	75.8	0	0	0	108.2	T613 L614 F616 L638 L647 I669 V680 L707	T613-L667 CarbonylContact C-O 3.59Å; L614-L667 PolarHBondContact N-O 2.97Å; L614-L667 PolarHBondContact O-N 3.33Å; F616-L667 HydrophobicContact CE2-CB 4.04Å; F616-L667 HydrophobicContact CE2-CD2 4.23Å; L638-L667 HydrophobicContact CD1-CD1 4.32Å; L647-L667 HydrophobicContact CD2-CD1 3.63Å; L667-I669 HydrophobicContact CD2-CD1 4.03Å; L667-I669 HydrophobicContact CG-CD1 4.37Å; L667-V680 HydrophobicContact CD2-CB 4.45Å; L667-V680 HydrophobicContact CD2-CG1 4.19Å; L667-V680 HydrophobicContact CD2-CG2 3.85Å; L667-L707 HydrophobicContact CD2-CD1 4.48Å
668	Q	89.1	Confident	84	Confident	104 Å²	104	65.9 Å²	65.9	49%	0.486	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128	172.4	-169.1	175.1	-5.7	0	0	109.3	Q650 P670	Q650-Q668 PolarHBondContact NE2-O 2.93Å; Q650-Q668 PolarHBondContact OE1-O 3.18Å; Q668-P670 WeakPolarHBondContact O-CD 3.24Å
669	I	87.6	Confident	84.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-81	121	173.6	-53.6	-56	0	0	0	107.3	V608 C609 G611 Q612 L646 L667 L707 I709	V608-I669 HydrophobicContact CB-CG1 4.22Å; V608-I669 HydrophobicContact CG2-CD1 4.11Å; V608-I669 HydrophobicContact CG2-CG1 3.92Å; C609-I669 WeakPolarHBondContact O-CB 3.44Å; G611-I669 WeakPolarHBondContact CA-O 3.49Å; G611-I669 PolarHBondContact N-O 3.18Å; Q612-I669 WeakPolarHBondContact O-CG1 3.35Å; Q612-I669 PolarHBondContact O-N 2.83Å; L646-I669 HydrophobicContact CD2-CD1 4.38Å; L667-I669 HydrophobicContact CD2-CD1 4.03Å; L667-I669 HydrophobicContact CG-CD1 4.37Å; I669-L707 HydrophobicContact CD1-CD1 4.17Å; I669-I709 HydrophobicContact CG2-CD1 4.31Å; I669-I709 HydrophobicContact CG2-CG2 4.36Å
670	P	84.4	Confident	84.9	Confident	34 Å²	34	64.1 Å²	64.1	22%	0.221	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-58.8	151.8	180	-24.5	34.8	0	0	0	112.8	W645 Q668 C673	W645-P670 HydrophobicContact CE3-CG 4.13Å; W645-P670 HydrophobicContact CZ3-CB 4.46Å; W645-P670 HydrophobicContact CZ3-CG 4.11Å; Q668-P670 WeakPolarHBondContact O-CD 3.24Å; P670-C673 PolarHBondContact O-SG 2.85Å
671	D	79.9	Confident	85.6	Confident	119 Å²	119	60.1 Å²	60.1	64%	0.636	34%	0.336	S	S	*	.	S	Bend	trans	-67.8	-37.5	175.3	-66.7	-45.3	0	0	0	111.6	G611 C673	G611-D671 WeakPolarHBondContact CA-OD1 3.43Å; G611-D671 PolarHBondContact N-OD1 3.18Å; D671-C673 PolarHBondContact O-N 2.85Å
672	D	78.1	Confident	86.4	Confident	145 Å²	145	56.3 Å²	56.3	78%	0.775	31%	0.309	S	S	*	.	S	Bend	trans	-94.9	77	178.9	-68.1	-37.6	0	0	0	111.4
673	C	77.6	Confident	86.9	Confident	38 Å²	38	53.3 Å²	53.3	26%	0.257	30%	0.295	S	S	.	.			trans	-74.6	126.4	-179.1	-72.6	0	0	0	0	112.8	W645 P670 D671 I709	W645-C673 HydrophobicContact CH2-CB 3.66Å; W645-C673 HydrophobicContact CZ3-CB 3.9Å; P670-C673 PolarHBondContact O-SG 2.85Å; D671-C673 PolarHBondContact O-N 2.85Å; C673-I709 HydrophobicContact CB-CG2 4.28Å
674	L	79.3	Confident	87.2	Confident	136 Å²	136	51.9 Å²	51.9	71%	0.712	29%	0.286	S	S	*	.	S	Bend	trans	-84.4	-12.5	179.8	-60.1	-179.1	0	0	0	114	W645	W645-L674 HydrophobicContact CB-CD1 3.71Å; W645-L674 HydrophobicContact CB-CG 4.38Å; W645-L674 HydrophobicContact CD2-CB 4.02Å; W645-L674 HydrophobicContact CD2-CD1 4.38Å; W645-L674 HydrophobicContact CD2-CG 4.19Å; W645-L674 HydrophobicContact CG-CB 4.09Å; W645-L674 HydrophobicContact CG-CD1 3.72Å; W645-L674 HydrophobicContact CG-CG 4.05Å; W645-L674 HydrophobicContact CZ2-CB 4.45Å
675	S	83.3	Confident	87.3	Confident	45 Å²	45	48.7 Å²	48.7	32%	0.315	27%	0.266	S	S	.	.			trans	-148.4	147.1	176.7	-179.7	0	0	0	0	110.7	E677	S675-E677 PolarHBondContact OG-N 2.93Å; S675-E677 PolarHBondContact OG-O 3.2Å
676	L	83.6	Confident	87.1	Confident	112 Å²	112	48.7 Å²	48.7	59%	0.586	27%	0.266	S	S	*	.	S	Bend	trans	-85.6	-13.3	175.2	-63	175.7	0	0	0	113	I709	L676-I709 PolarHBondContact O-N 3.05Å
677	E	86.8	Confident	87	Confident	132 Å²	132	48.3 Å²	48.3	62%	0.617	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.4	172.8	-64.9	-169.8	161.4	0	0	109.6	S675 L707	S675-E677 PolarHBondContact OG-N 2.93Å; S675-E677 PolarHBondContact OG-O 3.2Å; E677-L707 WeakPolarHBondContact CA-O 3.49Å
678	A	88.9	Confident	86.8	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.033	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159	178	0	0	0	0	0	111.3	N643 L646 L707	N643-A678 HydrophobicContact CB-CB 4.02Å; L646-A678 HydrophobicContact CD1-CB 3.44Å; L646-A678 VanDerWaalsContact CD1-CB 3.44Å; A678-L707 PolarHBondContact N-O 2.7Å; A678-L707 VanDerWaalsContact N-O 3.13Å; A678-L707 PolarHBondContact O-N 3.41Å
679	I	89.9	Confident	86.5	Confident	68 Å²	68	45 Å²	45	35%	0.349	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.1	173.2	-59.3	176.2	0	0	0	108.1	P706	I679-P706 HydrophobicContact CG1-CB 4.48Å
680	V	91.6	Very high	86.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.6	171.5	178.8	0	0	0	0	108.2	L638 R639 A640 L646 L667 Q705 L707	L638-V680 HydrophobicContact CD2-CG1 4.02Å; R639-V680 CarbonylContact O-C 3.58Å; R639-V680 WeakPolarHBondContact O-CA 3.27Å; A640-V680 HydrophobicContact CB-CG2 4.44Å; L646-V680 HydrophobicContact CD1-CG2 3.79Å; L667-V680 HydrophobicContact CD2-CB 4.45Å; L667-V680 HydrophobicContact CD2-CG1 4.19Å; L667-V680 HydrophobicContact CD2-CG2 3.85Å; V680-Q705 PolarHBondContact N-O 3.06Å; V680-Q705 PolarHBondContact O-N 3.47Å; V680-L707 HydrophobicContact CB-CD1 4.44Å; V680-L707 HydrophobicContact CG2-CD1 3.64Å; V680-L707 HydrophobicContact CG2-CG 4.49Å
681	S	91.8	Very high	85.4	Confident	20 Å²	20	48.3 Å²	48.3	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	177.2	-57.2	0	0	0	0	111.5	L638 R639 F703 S704	L638-S681 CarbonylContact C-O 3.56Å; L638-S681 WeakPolarHBondContact CA-O 3.46Å; R639-S681 PolarHBondContact N-O 2.92Å; R639-S681 PolarHBondContact O-N 2.89Å; S681-F703 CarbonylContact C-O 3.24Å; S681-F703 WeakPolarHBondContact CA-O 3.49Å; S681-F703 WeakPolarHBondContact CB-O 3.31Å; S681-S704 PolarHBondContact OG-OG 3.24Å; S681-S704 VanDerWaalsContact OG-OG 3.13Å
682	V	93.3	Very high	84.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.5	176.3	-166.9	0	0	0	0	108.3	F616 F637 L638 I665 V684 F703 L722	F616-V682 HydrophobicContact CD1-CG2 4.47Å; F616-V682 HydrophobicContact CG-CG2 4.48Å; F637-V682 CarbonylContact O-C 3.52Å; F637-V682 WeakPolarHBondContact O-CA 3.35Å; L638-V682 HydrophobicContact CD2-CB 4.4Å; L638-V682 HydrophobicContact CD2-CG1 4.37Å; L638-V682 HydrophobicContact CD2-CG2 3.69Å; I665-V682 HydrophobicContact CD1-CG1 3.59Å; V682-V684 HydrophobicContact CG1-CG2 4.21Å; V682-F703 HydrophobicContact CB-CB 4.37Å; V682-F703 PolarHBondContact N-O 2.84Å; V682-F703 PolarHBondContact O-N 3.02Å; V682-L722 HydrophobicContact CB-CD1 3.94Å; V682-L722 HydrophobicContact CG1-CD1 3.97Å; V682-L722 HydrophobicContact CG2-CD1 3.85Å
683	S	92.7	Very high	83.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.3	171.7	-52.5	0	0	0	0	109	W636 F637 I701 L702	W636-S683 CarbonylContact C-O 3.57Å; W636-S683 WeakPolarHBondContact CA-O 3.45Å; F637-S683 PolarHBondContact N-O 3.37Å; F637-S683 PolarHBondContact O-N 3.29Å; S683-I701 CarbonylContact C-O 3.48Å; S683-I701 WeakPolarHBondContact CA-O 3.29Å; S683-L702 VanDerWaalsContact OG-CD1 3.3Å; S683-L702 WeakPolarHBondContact OG-CD1 3.36Å
684	V	91.8	Very high	83	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	176.4	-177.2	0	0	0	0	109.5	L618 L620 W636 I656 V682 L686 A700 I701	L618-V684 HydrophobicContact CD2-CG2 3.75Å; L620-V684 HydrophobicContact CD1-CB 4.4Å; L620-V684 HydrophobicContact CD1-CG1 3.69Å; W636-V684 HydrophobicContact CB-CG2 4.11Å; I656-V684 HydrophobicContact CD1-CG1 3.43Å; I656-V684 VanDerWaalsContact CD1-CG1 3.43Å; V682-V684 HydrophobicContact CG1-CG2 4.21Å; V684-L686 HydrophobicContact CG1-CD2 4.01Å; V684-L686 HydrophobicContact CG1-CG 4.21Å; V684-A700 CarbonylContact O-C 3.53Å; V684-A700 WeakPolarHBondContact O-CA 3.3Å; V684-I701 HydrophobicContact CB-CG2 3.84Å; V684-I701 HydrophobicContact CG2-CG2 4.45Å; V684-I701 PolarHBondContact N-O 3.32Å; V684-I701 PolarHBondContact O-N 2.91Å
685	F	90.4	Very high	82.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.2	176.7	-62.9	-94.4	0	0	0	109	P592 L594 S634 C635 F637 Y687 M698 K699 A700	P592-F685 HydrophobicContact CB-CD1 4.27Å; P592-F685 HydrophobicContact CB-CE1 3.79Å; P592-F685 HydrophobicContact CB-CZ 3.94Å; P592-F685 HydrophobicContact CG-CE1 4.43Å; P592-F685 HydrophobicContact CG-CZ 4.39Å; P592-F685 VanDerWaalsContact O-CZ 3.3Å; P592-F685 WeakPolarHBondContact O-CZ 3.12Å; L594-F685 HydrophobicContact CD2-CE1 4.44Å; L594-F685 HydrophobicContact CD2-CZ 4.16Å; L594-F685 HydrophobicContact CG-CZ 4.03Å; S634-F685 CarbonylContact C-O 3.55Å; S634-F685 VanDerWaalsContact CA-O 3.29Å; S634-F685 WeakPolarHBondContact CA-O 3.48Å; S634-F685 WeakPolarHBondContact CB-O 3.32Å; C635-F685 PolarHBondContact N-O 3.03Å; C635-F685 PolarHBondContact O-N 2.78Å; F637-F685 AromaticContact CD2-CD2 3.77Å; F637-F685 HydrophobicContact CD2-CD2 3.77Å; F637-F685 AromaticContact CD2-CE2 3.73Å; F637-F685 HydrophobicContact CD2-CE2 3.73Å; F637-F685 AromaticContact CE2-CD2 3.75Å; F637-F685 HydrophobicContact CE2-CD2 3.75Å; F637-F685 AromaticContact CE2-CE2 3.92Å; F637-F685 HydrophobicContact CE2-CE2 3.92Å; F685-Y687 HydrophobicContact CB-CE2 4.31Å; F685-M698 HydrophobicContact CD1-SD 4.27Å; F685-K699 WeakPolarHBondContact CA-O 3.32Å; F685-A700 HydrophobicContact CD1-CB 3.5Å; F685-A700 VanDerWaalsContact CD1-CB 3.5Å; F685-A700 HydrophobicContact CE1-CB 3.65Å; F685-A700 HydrophobicContact CG-CB 4.2Å; F685-A700 HydrophobicContact CZ-CB 4.45Å
686	L	88.4	Confident	82.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	177.2	-61	-174.8	0	0	0	110.3	L620 L622 L628 S634 I656 I659 V684 Y688 M698 K699 F726	L620-L686 HydrophobicContact CB-CD1 4.32Å; L620-L686 HydrophobicContact CD1-CD1 3.99Å; L620-L686 HydrophobicContact CD1-CD2 4.47Å; L620-L686 HydrophobicContact CD1-CG 4.46Å; L622-L686 HydrophobicContact CD2-CD1 3.9Å; L628-L686 HydrophobicContact CD2-CD2 4.43Å; S634-L686 WeakPolarHBondContact OG-CA 3.12Å; I656-L686 HydrophobicContact CD1-CD2 3.97Å; I656-L686 HydrophobicContact CG2-CD2 4.37Å; I659-L686 HydrophobicContact CG2-CD1 4.43Å; I659-L686 HydrophobicContact CG2-CD2 4.25Å; V684-L686 HydrophobicContact CG1-CD2 4.01Å; V684-L686 HydrophobicContact CG1-CG 4.21Å; L686-Y688 HydrophobicContact CB-CD1 4.44Å; L686-M698 WeakPolarHBondContact O-CA 3.44Å; L686-K699 PolarHBondContact N-O 2.81Å; L686-K699 PolarHBondContact O-N 2.78Å; L686-F726 HydrophobicContact CD1-CD2 3.93Å; L686-F726 HydrophobicContact CD1-CE2 3.49Å; L686-F726 VanDerWaalsContact CD1-CE2 3.49Å; L686-F726 HydrophobicContact CD1-CZ 4.14Å; L686-F726 HydrophobicContact CG-CE2 4.36Å
687	Y	88.4	Confident	82.4	Confident	56 Å²	56	46 Å²	46	22%	0.22	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.6	171.4	-61.1	-94.5	0	0	0	108.1	L628 T629 V632 S634 F685 M697 M698	L628-Y687 WeakPolarHBondContact CA-O 3.36Å; T629-Y687 PolarHBondContact N-O 3.48Å; T629-Y687 WeakPolarHBondContact OG1-CB 3.27Å; T629-Y687 PolarHBondContact OG1-O 2.91Å; V632-Y687 HydrophobicContact CB-CG 4.4Å; V632-Y687 HydrophobicContact CG1-CD1 4.02Å; V632-Y687 HydrophobicContact CG1-CD2 3.92Å; V632-Y687 HydrophobicContact CG1-CE1 4.07Å; V632-Y687 HydrophobicContact CG1-CE2 4Å; V632-Y687 HydrophobicContact CG1-CG 3.95Å; S634-Y687 PolarHBondContact OG-N 2.68Å; F685-Y687 HydrophobicContact CB-CE2 4.31Å; Y687-M697 WeakPolarHBondContact CA-O 3.43Å; Y687-M698 HydrophobicContact CD1-CB 3.67Å; Y687-M698 HydrophobicContact CD1-CG 3.66Å; Y687-M698 HydrophobicContact CE1-CB 3.64Å; Y687-M698 HydrophobicContact CE1-CG 3.27Å; Y687-M698 HydrophobicContact CE2-CG 4.3Å; Y687-M698 HydrophobicContact CG-CG 4.33Å
688	Y	87	Confident	82.4	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.3	-177.4	63.9	-87	0	0	0	111.5	L622 P623 K627 L686 M697 K699	L622-Y688 HydrophobicContact CD1-CD1 4.43Å; L622-Y688 HydrophobicContact CD1-CG 4.1Å; L622-Y688 HydrophobicContact CD2-CD1 3.57Å; L622-Y688 HydrophobicContact CD2-CD2 4.41Å; L622-Y688 HydrophobicContact CD2-CE1 3.72Å; L622-Y688 HydrophobicContact CD2-CG 3.94Å; P623-Y688 HydrophobicContact CG-CE2 4.32Å; K627-Y688 CarbonylContact O-C 3.57Å; K627-Y688 VanDerWaalsContact O-CA 3.22Å; K627-Y688 WeakPolarHBondContact O-CA 3.33Å; K627-Y688 WeakPolarHBondContact O-CB 3.39Å; L686-Y688 HydrophobicContact CB-CD1 4.44Å; Y688-M697 HydrophobicContact CD2-CE 4.46Å; Y688-M697 HydrophobicContact CE2-CB 4.41Å; Y688-M697 HydrophobicContact CE2-CE 3.74Å; Y688-M697 PolarHBondContact N-O 2.77Å; Y688-M697 PolarHBondContact O-N 2.81Å; Y688-K699 HydrophobicContact CE1-CB 4.11Å; Y688-K699 HydrophobicContact CE1-CG 3.66Å; Y688-K699 WeakPolarHBondContact OH-CG 3.2Å
689	C	82.7	Confident	82.3	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.216	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.6	173.3	-45	0	0	0	0	110.2	S626 K627 T629 A695 C696	S626-C689 WeakPolarHBondContact CA-O 3.2Å; K627-C689 PolarHBondContact N-O 3.26Å; K627-C689 VanDerWaalsContact N-O 3.08Å; K627-C689 PolarHBondContact O-N 2.8Å; T629-C689 WeakPolarHBondContact CG2-SG 3.48Å; C689-A695 WeakPolarHBondContact CA-O 3.46Å; C689-C696 HydrophobicContact CB-CB 4.12Å; C689-C696 WeakPolarHBondContact CB-SG 3.43Å; C689-C696 WeakPolarHBondContact SG-CB 3.24Å; C689-C696 CovalentContact SG-SG 2.05Å; C689-C696 PolarHBondContact SG-SG 3.19Å
690	S	78.6	Confident	82.3	Confident	25 Å²	25	44.1 Å²	44.1	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.1	170.9	167.4	0	0	0	0	109.6	D692 S693 S694 A695	S690-D692 PolarHBondContact O-N 2.77Å; S690-D692 PolarHBondContact OG-N 2.87Å; S690-S693 WeakPolarHBondContact CB-OG 3.43Å; S690-S693 PolarHBondContact OG-OG 3.42Å; S690-S694 PolarHBondContact O-N 2.92Å; S690-A695 PolarHBondContact N-O 3.1Å; S690-A695 VanDerWaalsContact N-O 3.15Å
691	A	68.9	Low	82.3	Confident	77 Å²	77	44.1 Å²	44.1	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26	178.8	0	0	0	0	0	113.4	G625	G625-A691 WeakPolarHBondContact O-CB 3.26Å; G625-A691 PolarHBondContact O-N 3.31Å
692	D	64.1	Low	82.4	Confident	150 Å²	150	44.9 Å²	44.9	80%	0.802	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-17.6	-169.8	-57.9	-30	0	0	0	114	S690	S690-D692 PolarHBondContact O-N 2.77Å; S690-D692 PolarHBondContact OG-N 2.87Å
693	S	59	Low	82.4	Confident	71 Å²	71	44.9 Å²	44.9	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-1.5	-170.2	59.6	0	0	0	0	115	S690 A695	S690-S693 WeakPolarHBondContact CB-OG 3.43Å; S690-S693 PolarHBondContact OG-OG 3.42Å; S693-A695 PolarHBondContact O-N 3.08Å
694	S	62.1	Low	82.4	Confident	113 Å²	113	45.9 Å²	45.9	79%	0.79	28%	0.277	S	S	*	.			trans	51.5	14.3	-173	-55.2	0	0	0	0	114.2	S690	S690-S694 PolarHBondContact O-N 2.92Å
695	A	72.1	Confident	82.5	Confident	46 Å²	46	46 Å²	46	38%	0.38	28%	0.278	S	S	.	.			trans	-90.1	126.3	-179.7	0	0	0	0	0	109.4	C689 S690 S693	C689-A695 WeakPolarHBondContact CA-O 3.46Å; S690-A695 PolarHBondContact N-O 3.1Å; S690-A695 VanDerWaalsContact N-O 3.15Å; S693-A695 PolarHBondContact O-N 3.08Å
696	C	79.7	Confident	82.6	Confident	85 Å²	85	46.6 Å²	46.6	57%	0.574	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.5	177	-56.7	0	0	0	0	110	T629 C689	T629-C696 HydrophobicContact CG2-CB 4.4Å; C689-C696 HydrophobicContact CB-CB 4.12Å; C689-C696 WeakPolarHBondContact CB-SG 3.43Å; C689-C696 WeakPolarHBondContact SG-CB 3.24Å; C689-C696 CovalentContact SG-SG 2.05Å; C689-C696 PolarHBondContact SG-SG 3.19Å
697	M	82.4	Confident	82.8	Confident	81 Å²	81	46.8 Å²	46.8	40%	0.399	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.5	-176.1	-68.7	-179.5	-85.4	0	0	110.2	Y687 Y688	Y687-M697 WeakPolarHBondContact CA-O 3.43Å; Y688-M697 HydrophobicContact CD2-CE 4.46Å; Y688-M697 HydrophobicContact CE2-CB 4.41Å; Y688-M697 HydrophobicContact CE2-CE 3.74Å; Y688-M697 PolarHBondContact N-O 2.77Å; Y688-M697 PolarHBondContact O-N 2.81Å
698	M	86.3	Confident	82.8	Confident	78 Å²	78	48.3 Å²	48.3	38%	0.384	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.5	167.3	-177.5	-84.4	-73.1	0	0	109	P595 F685 L686 Y687 A700	P595-M698 HydrophobicContact CG-CE 3.87Å; P595-M698 HydrophobicContact CG-SD 4.27Å; F685-M698 HydrophobicContact CD1-SD 4.27Å; L686-M698 WeakPolarHBondContact O-CA 3.44Å; Y687-M698 HydrophobicContact CD1-CB 3.67Å; Y687-M698 HydrophobicContact CD1-CG 3.66Å; Y687-M698 HydrophobicContact CE1-CB 3.64Å; Y687-M698 HydrophobicContact CE1-CG 3.27Å; Y687-M698 HydrophobicContact CE2-CG 4.3Å; Y687-M698 HydrophobicContact CG-CG 4.33Å; M698-A700 HydrophobicContact SD-CB 4.42Å
699	K	86.9	Confident	82.8	Confident	84 Å²	84	48.4 Å²	48.4	37%	0.365	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.1	171.1	-68.9	-70.8	-172.4	164.8	0	109.4	F685 L686 Y688 F726	F685-K699 WeakPolarHBondContact CA-O 3.32Å; L686-K699 PolarHBondContact N-O 2.81Å; L686-K699 PolarHBondContact O-N 2.78Å; Y688-K699 HydrophobicContact CE1-CB 4.11Å; Y688-K699 HydrophobicContact CE1-CG 3.66Å; Y688-K699 WeakPolarHBondContact OH-CG 3.2Å; K699-F726 HydrophobicContact CB-CD1 3.59Å; K699-F726 HydrophobicContact CB-CE1 3.67Å; K699-F726 HydrophobicContact CB-CG 4.48Å; K699-F726 HydrophobicContact CG-CD1 4.01Å
700	A	89.6	Confident	82.8	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.033	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.1	173.8	0	0	0	0	0	110.6	L594 P595 A598 P599 V684 F685 M698	L594-A700 HydrophobicContact CD2-CB 3.86Å; P595-A700 HydrophobicContact CG-CB 4.44Å; A598-A700 HydrophobicContact CB-CB 4.26Å; A598-A700 WeakPolarHBondContact CB-O 3.29Å; P599-A700 WeakPolarHBondContact CD-O 3.37Å; V684-A700 CarbonylContact O-C 3.53Å; V684-A700 WeakPolarHBondContact O-CA 3.3Å; F685-A700 HydrophobicContact CD1-CB 3.5Å; F685-A700 VanDerWaalsContact CD1-CB 3.5Å; F685-A700 HydrophobicContact CE1-CB 3.65Å; F685-A700 HydrophobicContact CG-CB 4.2Å; F685-A700 HydrophobicContact CZ-CB 4.45Å; M698-A700 HydrophobicContact SD-CB 4.42Å
701	I	92.8	Very high	82.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.1	174.9	-178	158.2	0	0	0	109.8	P599 I601 S683 V684 F703 Y724 F726	P599-I701 HydrophobicContact CB-CD1 4.41Å; P599-I701 HydrophobicContact CB-CG1 4.48Å; P599-I701 HydrophobicContact CG-CB 4.11Å; P599-I701 HydrophobicContact CG-CD1 3.93Å; P599-I701 HydrophobicContact CG-CG1 3.92Å; I601-I701 HydrophobicContact CD1-CD1 3.75Å; I601-I701 HydrophobicContact CG1-CD1 4.2Å; S683-I701 CarbonylContact C-O 3.48Å; S683-I701 WeakPolarHBondContact CA-O 3.29Å; V684-I701 HydrophobicContact CB-CG2 3.84Å; V684-I701 HydrophobicContact CG2-CG2 4.45Å; V684-I701 PolarHBondContact N-O 3.32Å; V684-I701 PolarHBondContact O-N 2.91Å; I701-F703 HydrophobicContact CB-CE2 4.43Å; I701-F703 HydrophobicContact CD1-CE1 4.07Å; I701-F703 HydrophobicContact CD1-CE2 3.96Å; I701-F703 HydrophobicContact CD1-CZ 3.59Å; I701-F703 HydrophobicContact CG1-CD2 4.34Å; I701-F703 HydrophobicContact CG1-CE2 3.92Å; I701-F703 HydrophobicContact CG1-CZ 4.06Å; I701-F703 HydrophobicContact CG2-CD2 4.32Å; I701-F703 HydrophobicContact CG2-CE2 3.61Å; I701-F703 HydrophobicContact CG2-CZ 4.26Å; I701-Y724 VanDerWaalsContact CD1-CB 3.43Å; I701-Y724 HydrophobicContact CD1-CD1 3.48Å; I701-Y724 VanDerWaalsContact CD1-CD1 3.48Å; I701-Y724 HydrophobicContact CD1-CD2 3.47Å; I701-Y724 VanDerWaalsContact CD1-CD2 3.47Å; I701-Y724 HydrophobicContact CD1-CE1 4.07Å; I701-Y724 HydrophobicContact CD1-CE2 4.02Å; I701-Y724 HydrophobicContact CD1-CG 3.14Å; I701-F726 HydrophobicContact CB-CE1 4.25Å; I701-F726 HydrophobicContact CB-CZ 3.98Å; I701-F726 HydrophobicContact CG2-CE1 4.39Å; I701-F726 HydrophobicContact CG2-CZ 3.64Å
702	L	92.8	Very high	82.3	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.7	171.8	-177.3	65.5	0	0	0	109.5	L594 P599 S600 I601 S683	L594-L702 HydrophobicContact CD1-CB 4.25Å; L594-L702 HydrophobicContact CD1-CD1 4.1Å; L594-L702 HydrophobicContact CD1-CD2 4.27Å; L594-L702 HydrophobicContact CD1-CG 4.46Å; L594-L702 HydrophobicContact CD2-CB 4.45Å; P599-L702 PolarHBondContact O-N 2.66Å; S600-L702 CarbonylContact C-O 3.49Å; S600-L702 VanDerWaalsContact CA-O 3.31Å; S600-L702 WeakPolarHBondContact CA-O 3.25Å; I601-L702 PolarHBondContact N-O 2.72Å; S683-L702 VanDerWaalsContact OG-CD1 3.3Å; S683-L702 WeakPolarHBondContact OG-CD1 3.36Å
703	F	94.6	Very high	82.1	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.6	165.9	-61.6	-87.8	0	0	0	108.8	I601 L603 L620 S681 V682 I701 L722	I601-F703 HydrophobicContact CB-CD1 3.9Å; I601-F703 HydrophobicContact CB-CE1 4.24Å; I601-F703 HydrophobicContact CD1-CD1 4.4Å; I601-F703 HydrophobicContact CD1-CE1 3.86Å; I601-F703 HydrophobicContact CG1-CE1 4.5Å; I601-F703 HydrophobicContact CG2-CD1 4.19Å; I601-F703 HydrophobicContact CG2-CE1 4.49Å; I601-F703 CarbonylContact O-C 3.57Å; I601-F703 VanDerWaalsContact O-CA 3.32Å; I601-F703 WeakPolarHBondContact O-CA 3.23Å; L603-F703 HydrophobicContact CD1-CB 4.33Å; L603-F703 HydrophobicContact CD2-CD1 4.49Å; L620-F703 HydrophobicContact CD2-CE2 4.25Å; L620-F703 HydrophobicContact CD2-CZ 4.04Å; S681-F703 CarbonylContact C-O 3.24Å; S681-F703 WeakPolarHBondContact CA-O 3.49Å; S681-F703 WeakPolarHBondContact CB-O 3.31Å; V682-F703 HydrophobicContact CB-CB 4.37Å; V682-F703 PolarHBondContact N-O 2.84Å; V682-F703 PolarHBondContact O-N 3.02Å; I701-F703 HydrophobicContact CB-CE2 4.43Å; I701-F703 HydrophobicContact CD1-CE1 4.07Å; I701-F703 HydrophobicContact CD1-CE2 3.96Å; I701-F703 HydrophobicContact CD1-CZ 3.59Å; I701-F703 HydrophobicContact CG1-CD2 4.34Å; I701-F703 HydrophobicContact CG1-CE2 3.92Å; I701-F703 HydrophobicContact CG1-CZ 4.06Å; I701-F703 HydrophobicContact CG2-CD2 4.32Å; I701-F703 HydrophobicContact CG2-CE2 3.61Å; I701-F703 HydrophobicContact CG2-CZ 4.26Å; F703-L722 HydrophobicContact CB-CD2 3.94Å; F703-L722 HydrophobicContact CD1-CB 4.27Å; F703-L722 HydrophobicContact CD1-CD2 4.08Å; F703-L722 HydrophobicContact CD2-CB 4.2Å; F703-L722 HydrophobicContact CD2-CD1 4.23Å; F703-L722 HydrophobicContact CD2-CD2 4.49Å; F703-L722 HydrophobicContact CE1-CB 4.16Å; F703-L722 HydrophobicContact CE2-CB 4.1Å; F703-L722 HydrophobicContact CG-CB 4.28Å; F703-L722 HydrophobicContact CG-CD1 4.44Å; F703-L722 HydrophobicContact CG-CD2 3.93Å; F703-L722 HydrophobicContact CG-CG 4.46Å; F703-L722 HydrophobicContact CZ-CB 4.07Å
704	S	92.7	Very high	82.1	Confident	21 Å²	21	59.5 Å²	59.5	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115	173.4	-62.4	0	0	0	0	109.3	I601 L603 S681 P706	I601-S704 PolarHBondContact O-N 3.3Å; L603-S704 PolarHBondContact N-O 2.82Å; S681-S704 PolarHBondContact OG-OG 3.24Å; S681-S704 VanDerWaalsContact OG-OG 3.13Å; S704-P706 WeakPolarHBondContact O-CD 3.38Å
705	Q	94.1	Very high	82	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.014	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109	178.6	-179.8	59.8	58.8	0	0	110	L603 S604 F616 V680 L707	L603-Q705 VanDerWaalsContact CB-OE1 3.25Å; L603-Q705 HydrophobicContact CD1-CB 4.28Å; L603-Q705 VanDerWaalsContact CD1-OE1 3.29Å; S604-Q705 PolarHBondContact O-NE2 3.03Å; F616-Q705 HydrophobicContact CE1-CB 3.83Å; F616-Q705 HydrophobicContact CE1-CG 3.81Å; F616-Q705 HydrophobicContact CZ-CB 4.3Å; F616-Q705 HydrophobicContact CZ-CG 4.25Å; V680-Q705 PolarHBondContact N-O 3.06Å; V680-Q705 PolarHBondContact O-N 3.47Å; Q705-L707 HydrophobicContact CG-CD2 3.75Å
706	P	92.3	Very high	81.3	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135.5	167.4	-14.1	30.2	0	0	0	110.6	L603 P605 V606 I679 S704	L603-P706 VanDerWaalsContact O-CD 3.24Å; L603-P706 WeakPolarHBondContact O-CD 3.33Å; P605-P706 WeakPolarHBondContact CA-O 3.49Å; P605-P706 HydrophobicContact CB-CB 4.17Å; P605-P706 HydrophobicContact CG-CB 4.14Å; P605-P706 HydrophobicContact CG-CG 4.35Å; V606-P706 PolarHBondContact N-O 2.93Å; I679-P706 HydrophobicContact CG1-CB 4.48Å; S704-P706 WeakPolarHBondContact O-CD 3.38Å
707	L	91	Very high	80.8	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.3	178.5	-57.9	-179.8	0	0	0	109.8	V606 V608 L614 L667 I669 E677 A678 V680 Q705	V606-L707 WeakPolarHBondContact O-CA 3.48Å; V608-L707 HydrophobicContact CG1-CD2 4.36Å; V608-L707 HydrophobicContact CG2-CB 4.44Å; L614-L707 HydrophobicContact CD2-CD2 3.66Å; L667-L707 HydrophobicContact CD2-CD1 4.48Å; I669-L707 HydrophobicContact CD1-CD1 4.17Å; E677-L707 WeakPolarHBondContact CA-O 3.49Å; A678-L707 PolarHBondContact N-O 2.7Å; A678-L707 VanDerWaalsContact N-O 3.13Å; A678-L707 PolarHBondContact O-N 3.41Å; V680-L707 HydrophobicContact CB-CD1 4.44Å; V680-L707 HydrophobicContact CG2-CD1 3.64Å; V680-L707 HydrophobicContact CG2-CG 4.49Å; Q705-L707 HydrophobicContact CG-CD2 3.75Å
708	Q	89.5	Confident	80.5	Confident	88 Å²	88	59.6 Å²	59.6	41%	0.411	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.1	167.2	-70.3	-175.2	-30.2	0	0	108.3	V606 T607 V608	V606-Q708 PolarHBondContact O-N 3.44Å; T607-Q708 CarbonylContact C-O 3.5Å; T607-Q708 WeakPolarHBondContact CA-O 3.38Å; V608-Q708 PolarHBondContact N-O 3.49Å
709	I	87.4	Confident	80.3	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.5	-172.9	-56.1	174.4	0	0	0	109.2	V608 W645 L646 I669 C673 L676	V608-I709 HydrophobicContact CG2-CG1 3.84Å; V608-I709 CarbonylContact O-C 3.55Å; V608-I709 WeakPolarHBondContact O-CA 3.31Å; W645-I709 HydrophobicContact CH2-CD1 3.75Å; W645-I709 HydrophobicContact CZ2-CD1 4.4Å; L646-I709 HydrophobicContact CD2-CD1 4.32Å; I669-I709 HydrophobicContact CG2-CD1 4.31Å; I669-I709 HydrophobicContact CG2-CG2 4.36Å; C673-I709 HydrophobicContact CB-CG2 4.28Å; L676-I709 PolarHBondContact O-N 3.05Å
710	T	81.8	Confident	80.5	Confident	39 Å²	39	55.5 Å²	55.5	24%	0.239	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.1	-176.9	64.2	0	0	0	0	112.4	T607 V608 C609	T607-T710 HydrophobicContact CG2-CG2 3.66Å; V608-T710 PolarHBondContact O-N 3.35Å; C609-T710 WeakPolarHBondContact CA-O 3.46Å
711	D	72.4	Confident	80.5	Confident	145 Å²	145	59.3 Å²	59.3	78%	0.775	35%	0.347	S	S	*	.	S	Bend	trans	-85.2	-8.3	-179.2	-60.7	-30.6	0	0	0	113.6
712	T	65.5	Low	80.5	Confident	95 Å²	95	59.3 Å²	59.3	58%	0.583	35%	0.347	S	S	*	.	S	Bend	trans	-91.4	115.7	-179.5	44.8	0	0	0	0	110.9	C609 Q714	C609-T712 PolarHBondContact SG-O 3.35Å; T712-Q714 PolarHBondContact O-N 3.43Å
713	Q	60	Low	80.4	Confident	190 Å²	190	65.1 Å²	65.1	89%	0.888	37%	0.366	S	S	*	.			trans	-55.7	110.1	175.9	-77.6	-172.4	-10	0	0	111.4
714	Q	58.2	Low	80.2	Confident	119 Å²	119	68.2 Å²	68.2	56%	0.556	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-97.7	151.8	164	-72.5	-175.5	-2.7	0	0	109.7	C609 T712	C609-Q714 PolarHBondContact SG-N 2.77Å; T712-Q714 PolarHBondContact O-N 3.43Å
715	G	59.8	Low	79.9	Confident	64 Å²	64	71.6 Å²	71.6	66%	0.66	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-57.8	165.9	-179.4	0	0	0	0	0	113.4	I717	G715-I717 PolarHBondContact O-N 3Å; G715-I717 VanDerWaalsContact O-N 3.15Å
716	C	57.4	Low	79.2	Confident	136 Å²	136	73.6 Å²	73.6	92%	0.919	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-50.9	119	-175.3	-149.2	0	0	0	0	111.9
717	I	70.1	Confident	78.5	Confident	50 Å²	50	76.7 Å²	76.7	26%	0.256	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-78.1	134.3	-179.7	-58.3	165.8	0	0	0	108.2	V606 T607 V608 Q612 G715	V606-I717 HydrophobicContact CG1-CD1 4.29Å; V606-I717 HydrophobicContact CG1-CG2 4.16Å; T607-I717 WeakPolarHBondContact O-CD1 3.33Å; V608-I717 HydrophobicContact CG1-CD1 3.99Å; Q612-I717 VanDerWaalsContact NE2-CD1 3.33Å; G715-I717 PolarHBondContact O-N 3Å; G715-I717 VanDerWaalsContact O-N 3.15Å
718	A	75	Confident	77.9	Confident	77 Å²	77	80.5 Å²	80.5	64%	0.636	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-60.4	145.2	173.4	0	0	0	0	0	110.7	V720	A718-V720 PolarHBondContact O-N 2.83Å
719	P	83.5	Confident	77.2	Confident	59 Å²	59	80.1 Å²	80.1	38%	0.383	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-54.7	136.4	-179.7	-25.3	33.3	0	0	0	112.4	Q615 K617 E721	Q615-P719 HydrophobicContact CB-CB 4.17Å; Q615-P719 HydrophobicContact CB-CG 4.45Å; Q615-P719 CarbonylContact O-C 3.37Å; Q615-P719 WeakPolarHBondContact O-CA 3.32Å; K617-P719 HydrophobicContact CB-CB 4.28Å; P719-E721 PolarHBondContact O-N 3.43Å
720	V	89.8	Confident	76.6	Confident	18 Å²	18	84.5 Å²	84.5	11%	0.109	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.6	176.4	178.4	0	0	0	0	108.7	L603 V606 L614 Q615 F616 K617 A718 L722	L603-V720 HydrophobicContact CD1-CG1 4.1Å; V606-V720 HydrophobicContact CG2-CG2 4.02Å; L614-V720 HydrophobicContact CD1-CG2 3.95Å; Q615-V720 PolarHBondContact O-N 2.86Å; F616-V720 CarbonylContact C-O 3.58Å; F616-V720 WeakPolarHBondContact CA-O 3.44Å; F616-V720 HydrophobicContact CD1-CB 3.86Å; F616-V720 HydrophobicContact CD1-CG1 3.99Å; F616-V720 HydrophobicContact CE1-CB 4.25Å; F616-V720 HydrophobicContact CE1-CG1 4.24Å; K617-V720 PolarHBondContact N-O 2.9Å; A718-V720 PolarHBondContact O-N 2.83Å; V720-L722 HydrophobicContact CG1-CD2 4.35Å; V720-L722 PolarHBondContact O-N 2.76Å
721	E	90.7	Very high	76.3	Confident	84 Å²	84	87.3 Å²	87.3	39%	0.393	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.5	-179.9	-62.7	-163.9	168.2	0	0	111.6	R619 P719	R619-E721 IonicContact CZ-OE1 2.78Å; R619-E721 IonicContact CZ-OE2 3.87Å; R619-E721 IonicContact NE-OE1 2.66Å; R619-E721 IonicContact NE-OE2 3.69Å; R619-E721 IonicContact NH1-OE1 2.88Å; R619-E721 PolarHBondContact NH1-OE1 3.13Å; R619-E721 IonicContact NH1-OE2 2.99Å; R619-E721 PolarHBondContact NH1-OE2 3.41Å; R619-E721 IonicContact NH2-OE1 2.79Å; R619-E721 PolarHBondContact NH2-OE1 3.19Å; P719-E721 PolarHBondContact O-N 3.43Å
722	L	91.6	Very high	76.6	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	88.4	173.7	-58.2	-172.8	0	0	0	108.9	L603 F616 K617 L618 R619 V682 F703 V720	L603-L722 HydrophobicContact CD1-CD2 3.32Å; F616-L722 HydrophobicContact CB-CD1 3.77Å; F616-L722 HydrophobicContact CB-CG 4.09Å; F616-L722 HydrophobicContact CD1-CD1 4.23Å; F616-L722 HydrophobicContact CD1-CD2 4.03Å; F616-L722 HydrophobicContact CD1-CG 4.27Å; F616-L722 HydrophobicContact CG-CD1 4.31Å; K617-L722 PolarHBondContact O-N 2.81Å; L618-L722 HydrophobicContact CD2-CB 3.9Å; L618-L722 HydrophobicContact CD2-CD1 3.67Å; L618-L722 HydrophobicContact CD2-CG 4.39Å; L618-L722 HydrophobicContact CG-CD1 4.5Å; R619-L722 PolarHBondContact N-O 2.88Å; V682-L722 HydrophobicContact CB-CD1 3.94Å; V682-L722 HydrophobicContact CG1-CD1 3.97Å; V682-L722 HydrophobicContact CG2-CD1 3.85Å; F703-L722 HydrophobicContact CB-CD2 3.94Å; F703-L722 HydrophobicContact CD1-CB 4.27Å; F703-L722 HydrophobicContact CD1-CD2 4.08Å; F703-L722 HydrophobicContact CD2-CB 4.2Å; F703-L722 HydrophobicContact CD2-CD1 4.23Å; F703-L722 HydrophobicContact CD2-CD2 4.49Å; F703-L722 HydrophobicContact CE1-CB 4.16Å; F703-L722 HydrophobicContact CE2-CB 4.1Å; F703-L722 HydrophobicContact CG-CB 4.28Å; F703-L722 HydrophobicContact CG-CD1 4.44Å; F703-L722 HydrophobicContact CG-CD2 3.93Å; F703-L722 HydrophobicContact CG-CG 4.46Å; F703-L722 HydrophobicContact CZ-CB 4.07Å; V720-L722 HydrophobicContact CG1-CD2 4.35Å; V720-L722 PolarHBondContact O-N 2.76Å
723	R	90.4	Very high	77.4	Confident	156 Å²	156	82.6 Å²	82.6	59%	0.589	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.9	-173.1	-163.2	176.2	-165.6	176.3	3.6	113.2	R619	R619-R723 HydrophobicContact CB-CB 4.35Å; R619-R723 HydrophobicContact CB-CG 4.11Å; R619-R723 VanDerWaalsContact O-CA 3.27Å; R619-R723 WeakPolarHBondContact O-CA 3.43Å
724	Y	90.6	Very high	78.7	Confident	67 Å²	67	74.4 Å²	74.4	26%	0.263	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.1	171.1	-170.3	-108.2	0	0	0	112.9	P599 I601 R619 L620 D621 I701 F726	P599-Y724 HydrophobicContact CB-CE2 4.13Å; P599-Y724 HydrophobicContact CG-CE1 3.84Å; P599-Y724 HydrophobicContact CG-CE2 4.07Å; P599-Y724 WeakPolarHBondContact CG-OH 3.23Å; I601-Y724 HydrophobicContact CD1-CD2 3.55Å; I601-Y724 HydrophobicContact CD1-CE2 4.19Å; I601-Y724 HydrophobicContact CD1-CG 4.36Å; R619-Y724 PolarHBondContact O-N 2.81Å; L620-Y724 WeakPolarHBondContact CA-O 3.47Å; D621-Y724 PolarHBondContact N-O 3.41Å; I701-Y724 VanDerWaalsContact CD1-CB 3.43Å; I701-Y724 HydrophobicContact CD1-CD1 3.48Å; I701-Y724 VanDerWaalsContact CD1-CD1 3.48Å; I701-Y724 HydrophobicContact CD1-CD2 3.47Å; I701-Y724 VanDerWaalsContact CD1-CD2 3.47Å; I701-Y724 HydrophobicContact CD1-CE1 4.07Å; I701-Y724 HydrophobicContact CD1-CE2 4.02Å; I701-Y724 HydrophobicContact CD1-CG 3.14Å; Y724-F726 AromaticContact CD1-CD1 3.87Å; Y724-F726 HydrophobicContact CD1-CD1 3.87Å; Y724-F726 AromaticContact CD1-CD2 3.88Å; Y724-F726 HydrophobicContact CD1-CD2 3.88Å; Y724-F726 AromaticContact CD1-CE1 3.84Å; Y724-F726 HydrophobicContact CD1-CE1 3.84Å; Y724-F726 AromaticContact CD1-CE2 3.85Å; Y724-F726 HydrophobicContact CD1-CE2 3.85Å; Y724-F726 AromaticContact CD1-CG 3.9Å; Y724-F726 HydrophobicContact CD1-CG 3.9Å; Y724-F726 AromaticContact CD1-CZ 3.85Å; Y724-F726 HydrophobicContact CD1-CZ 3.85Å; Y724-F726 AromaticContact CE1-CD1 3.63Å; Y724-F726 HydrophobicContact CE1-CD1 3.63Å; Y724-F726 HydrophobicContact CE1-CD2 4.39Å; Y724-F726 AromaticContact CE1-CE1 3.83Å; Y724-F726 HydrophobicContact CE1-CE1 3.83Å; Y724-F726 AromaticContact CE1-CG 3.94Å; Y724-F726 HydrophobicContact CE1-CG 3.94Å; Y724-F726 HydrophobicContact CE1-CZ 4.32Å
725	V	86.9	Confident	80.4	Confident	91 Å²	91	70.7 Å²	70.7	55%	0.552	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	176.4	-174.7	0	0	0	0	107.9	D621	D621-V725 HydrophobicContact CB-CB 4.39Å; D621-V725 HydrophobicContact CB-CG1 4.1Å; D621-V725 HydrophobicContact CB-CG2 4.11Å
726	F	79.1	Confident	82.3	Confident	46 Å²	46	71.3 Å²	71.3	20%	0.202	39%	0.391	C	S	.	.			trans	-85.4	0	-171.2	-80.4	-79.9	0	0	0	115.8	L620 D621 L622 L686 K699 I701 Y724	L620-F726 HydrophobicContact CB-CE2 4.19Å; L620-F726 HydrophobicContact CD1-CE2 4.24Å; L620-F726 HydrophobicContact CD2-CE2 4.11Å; L620-F726 HydrophobicContact CG-CE2 4.41Å; D621-F726 PolarHBondContact O-N 2.91Å; L622-F726 HydrophobicContact CD2-CB 4.37Å; L622-F726 HydrophobicContact CD2-CD2 4.3Å; L686-F726 HydrophobicContact CD1-CD2 3.93Å; L686-F726 HydrophobicContact CD1-CE2 3.49Å; L686-F726 VanDerWaalsContact CD1-CE2 3.49Å; L686-F726 HydrophobicContact CD1-CZ 4.14Å; L686-F726 HydrophobicContact CG-CE2 4.36Å; K699-F726 HydrophobicContact CB-CD1 3.59Å; K699-F726 HydrophobicContact CB-CE1 3.67Å; K699-F726 HydrophobicContact CB-CG 4.48Å; K699-F726 HydrophobicContact CG-CD1 4.01Å; I701-F726 HydrophobicContact CB-CE1 4.25Å; I701-F726 HydrophobicContact CB-CZ 3.98Å; I701-F726 HydrophobicContact CG2-CE1 4.39Å; I701-F726 HydrophobicContact CG2-CZ 3.64Å; Y724-F726 AromaticContact CD1-CD1 3.87Å; Y724-F726 HydrophobicContact CD1-CD1 3.87Å; Y724-F726 AromaticContact CD1-CD2 3.88Å; Y724-F726 HydrophobicContact CD1-CD2 3.88Å; Y724-F726 AromaticContact CD1-CE1 3.84Å; Y724-F726 HydrophobicContact CD1-CE1 3.84Å; Y724-F726 AromaticContact CD1-CE2 3.85Å; Y724-F726 HydrophobicContact CD1-CE2 3.85Å; Y724-F726 AromaticContact CD1-CG 3.9Å; Y724-F726 HydrophobicContact CD1-CG 3.9Å; Y724-F726 AromaticContact CD1-CZ 3.85Å; Y724-F726 HydrophobicContact CD1-CZ 3.85Å; Y724-F726 AromaticContact CE1-CD1 3.63Å; Y724-F726 HydrophobicContact CE1-CD1 3.63Å; Y724-F726 HydrophobicContact CE1-CD2 4.39Å; Y724-F726 AromaticContact CE1-CE1 3.83Å; Y724-F726 HydrophobicContact CE1-CE1 3.83Å; Y724-F726 AromaticContact CE1-CG 3.94Å; Y724-F726 HydrophobicContact CE1-CG 3.94Å; Y724-F726 HydrophobicContact CE1-CZ 4.32Å

Retrieved 726 of 726 residues in 340.5 ms (Link to these results)

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