A0A096NHH7_PAPAN Loading...

Leucine carboxyl methyltransferase 1

Methylates the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits to form alpha-leucine ester residues.

AlphaFold DB (A0A2K6CTM9), UniProt , Accession A0A096NHH7, Species PAPAN (Papio anubis, Olive baboon), Gene LCMT1, Length 334 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	37.4	Very low	31.7	Very low	246 Å²	246	167 Å²	167	100%	1.212	87%	0.865	S	S	*	*				0	121.4	0	-84.5	179.8	167	0	0	107.7
2	A	31.5	Very low	31.9	Very low	97 Å²	97	161.8 Å²	161.8	80%	0.802	85%	0.853	S	S	*	*			trans	-77.2	134.2	-168.4	0	0	0	0	0	112.3
3	T	31.9	Very low	32	Very low	143 Å²	143	159 Å²	159	88%	0.877	85%	0.853	S	S	*	*			trans	-112.9	103.7	164.2	18.4	0	0	0	0	108.2	Q5	T3-Q5 PolarHBondContact O-N 2.74Å
4	R	32	Very low	32.1	Very low	242 Å²	242	154.2 Å²	154.2	91%	0.913	84%	0.838	S	S	*	*			trans	-69.7	121.8	175.7	-72.7	178.3	177.9	-169.9	-1.6	109.6
5	Q	32	Very low	32.5	Very low	189 Å²	189	150.3 Å²	150.3	88%	0.883	83%	0.826	S	S	*	*			trans	-70.4	128	158.4	-79.9	173.7	-26.4	0	0	108.4	T3	T3-Q5 PolarHBondContact O-N 2.74Å
6	R	31.2	Very low	32.5	Very low	248 Å²	248	144.9 Å²	144.9	94%	0.936	81%	0.808	S	S	*	*			trans	-91.3	104.7	170.2	-117.7	179.5	178.1	-176.6	-1.2	106.6
7	E	29.7	Very low	32.8	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	80%	0.796	S	S	*	*			trans	-72.2	122.5	163.9	-73.9	176.2	157.1	0	0	108.4	S9	E7-S9 PolarHBondContact O-N 2.93Å
8	S	29.6	Very low	33.8	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	78%	0.78	S	S	*	*			trans	-79.8	105.7	170.4	53	0	0	0	0	108.8	I10	S8-I10 PolarHBondContact O-N 2.98Å; S8-I10 VanDerWaalsContact O-N 3.15Å
9	S	29.1	Very low	34.8	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	76%	0.76	S	S	*	*			trans	-69.9	102	168.5	-18.2	0	0	0	0	108.2	E7 T11	E7-S9 PolarHBondContact O-N 2.93Å; S9-T11 PolarHBondContact O-N 3.04Å
10	I	33.3	Very low	36.1	Very low	158 Å²	158	132.2 Å²	132.2	81%	0.81	75%	0.751	S	S	*	*			trans	-83.1	96.1	165.9	-63.8	171	0	0	0	106.1	S8 S12	S8-I10 PolarHBondContact O-N 2.98Å; S8-I10 VanDerWaalsContact O-N 3.15Å; I10-S12 PolarHBondContact O-N 3.14Å
11	T	30.7	Very low	37.3	Very low	121 Å²	121	128.5 Å²	128.5	74%	0.742	74%	0.737	S	S	*	*			trans	-68.3	116.9	167.2	2.4	0	0	0	0	108.5	S9 C13	S9-T11 PolarHBondContact O-N 3.04Å; T11-C13 PolarHBondContact O-N 3Å
12	S	34.1	Very low	39	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	69%	0.69	S	S	*	*			trans	-68.5	89.5	171.7	56.6	0	0	0	0	110.6	I10	I10-S12 PolarHBondContact O-N 3.14Å
13	C	33.3	Very low	41.4	Very low	126 Å²	126	115 Å²	115	85%	0.851	66%	0.656	S	S	*	*			trans	-99.6	83.1	162.8	-79.1	0	0	0	0	108.5	T11	T11-C13 PolarHBondContact O-N 3Å
14	S	34.4	Very low	43.9	Very low	92 Å²	92	114.7 Å²	114.7	64%	0.643	64%	0.644	S	S	*	*			trans	-143.2	1.3	176.8	59.2	0	0	0	0	115.6
15	S	37	Very low	46.3	Very low	95 Å²	95	103.7 Å²	103.7	66%	0.664	61%	0.607	S	S	*	*	S	Bend	trans	-101.1	-24.6	179.3	55.4	0	0	0	0	114.8	S18	S15-S18 PolarHBondContact O-OG 3.2Å
16	A	32.8	Very low	48.9	Very low	64 Å²	64	95.5 Å²	95.5	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-78.8	-28.3	-179.2	0	0	0	0	0	113.3	C19	A16-C19 PolarHBondContact O-SG 3.16Å
17	S	38.4	Very low	51.7	Low	86 Å²	86	86.1 Å²	86.1	60%	0.601	53%	0.534	S	S	*	.	H	α-helix	trans	-78.1	-21.5	-176.6	61.3	0	0	0	0	113.8
18	S	49.8	Very low	54.6	Low	74 Å²	74	79.4 Å²	79.4	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-82.3	-35.6	179.4	58.4	0	0	0	0	112.5	S15 D22	S15-S18 PolarHBondContact O-OG 3.2Å; S18-D22 PolarHBondContact O-N 3.2Å
19	C	53.2	Low	57.5	Low	59 Å²	59	76 Å²	76	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-70.3	-40.1	178	60.2	0	0	0	0	112	A16 A21 D22 D23	A16-C19 PolarHBondContact O-SG 3.16Å; C19-A21 VanDerWaalsContact C-N 3.32Å; C19-A21 PolarHBondContact O-N 3.16Å; C19-D22 PolarHBondContact O-N 3.22Å; C19-D23 VanDerWaalsContact O-CG 3.23Å; C19-D23 PolarHBondContact O-N 3.18Å
20	D	61.1	Low	60.6	Low	106 Å²	106	71.5 Å²	71.5	57%	0.567	46%	0.456	S	S	*	.	H	α-helix	trans	-65.9	-34.8	178.5	-78.4	-18.3	0	0	0	112.8	E24	D20-E24 PolarHBondContact O-N 2.85Å
21	A	62	Low	63.5	Low	56 Å²	56	67.7 Å²	67.7	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-73.1	-39.9	178.1	0	0	0	0	0	112.2	C19 D23 E24 G25	C19-A21 VanDerWaalsContact C-N 3.32Å; C19-A21 PolarHBondContact O-N 3.16Å; A21-D23 VanDerWaalsContact C-N 3.35Å; A21-E24 PolarHBondContact O-N 2.88Å; A21-G25 PolarHBondContact O-N 3.35Å
22	D	72.2	Confident	66.5	Low	44 Å²	44	65 Å²	65	24%	0.235	42%	0.416	C	S	.	.	H	α-helix	trans	-66.1	-40.4	175.5	-162.2	32.3	0	0	0	110.7	S18 C19 E24 G25 V26	S18-D22 PolarHBondContact O-N 3.2Å; C19-D22 PolarHBondContact O-N 3.22Å; D22-E24 VanDerWaalsContact C-N 3.28Å; D22-E24 PolarHBondContact O-N 3.24Å; D22-G25 PolarHBondContact O-N 3.03Å; D22-G25 VanDerWaalsContact O-N 3.17Å; D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.35Å
23	D	82.3	Confident	69.5	Low	14 Å²	14	61 Å²	61	8%	0.075	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-31.5	175.1	-70.1	-3.3	0	0	0	112.8	C19 A21 R27 R173	C19-D23 VanDerWaalsContact O-CG 3.23Å; C19-D23 PolarHBondContact O-N 3.18Å; A21-D23 VanDerWaalsContact C-N 3.35Å; D23-R27 VanDerWaalsContact CB-NH1 3.26Å; D23-R27 VanDerWaalsContact O-CB 3.31Å; D23-R27 WeakPolarHBondContact O-CB 3.3Å; D23-R27 WeakPolarHBondContact O-CG 3.33Å; D23-R27 PolarHBondContact O-N 2.87Å; D23-R27 PolarHBondContact O-NE 3.12Å; D23-R173 VanDerWaalsContact CG-NH2 3.35Å; D23-R173 IonicContact OD1-CZ 2.78Å; D23-R173 IonicContact OD1-NH1 3.08Å; D23-R173 PolarHBondContact OD1-NH1 3.43Å; D23-R173 IonicContact OD1-NH2 3.27Å; D23-R173 PolarHBondContact OD1-NH2 2.99Å; D23-R173 IonicContact OD2-CZ 3.36Å; D23-R173 IonicContact OD2-NH1 2.64Å; D23-R173 IonicContact OD2-NH2 2.76Å; D23-R173 PolarHBondContact OD2-NH2 3Å
24	E	83.6	Confident	72.6	Confident	137 Å²	137	55.4 Å²	55.4	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-65.3	-44.8	174.2	-171.9	174.3	-170.7	0	0	111.6	D20 A21 D22 R27 G28	D20-E24 PolarHBondContact O-N 2.85Å; A21-E24 PolarHBondContact O-N 2.88Å; D22-E24 VanDerWaalsContact C-N 3.28Å; D22-E24 PolarHBondContact O-N 3.24Å; E24-R27 PolarHBondContact O-N 3.17Å; E24-G28 PolarHBondContact O-N 2.93Å
25	G	82.8	Confident	75.6	Confident	12 Å²	12	51.9 Å²	51.9	12%	0.124	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-47.7	174.3	0	0	0	0	0	112.8	A21 D22 R27 G28 T29 Q249	A21-G25 PolarHBondContact O-N 3.35Å; D22-G25 PolarHBondContact O-N 3.03Å; D22-G25 VanDerWaalsContact O-N 3.17Å; G25-R27 PolarHBondContact O-N 2.86Å; G25-G28 WeakPolarHBondContact O-CA 3.47Å; G25-G28 PolarHBondContact O-N 2.71Å; G25-T29 PolarHBondContact O-N 2.83Å; G25-Q249 VanDerWaalsContact CA-O 3.3Å; G25-Q249 WeakPolarHBondContact CA-O 3.42Å
26	V	86.3	Confident	78.5	Confident	16 Å²	16	47.5 Å²	47.5	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-46	175.9	172.5	0	0	0	0	110.7	D22 G28 T29 F123 Y203	D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.35Å; V26-G28 PolarHBondContact O-N 3.37Å; V26-T29 WeakPolarHBondContact O-CB 3.48Å; V26-T29 WeakPolarHBondContact O-CG2 3.35Å; V26-T29 PolarHBondContact O-N 3.44Å; V26-T29 VanDerWaalsContact O-N 3.08Å; V26-T29 PolarHBondContact O-OG1 2.91Å; V26-F123 HydrophobicContact CG1-CE2 4.38Å; V26-Y203 HydrophobicContact CG1-CD2 4.2Å; V26-Y203 HydrophobicContact CG1-CG 3.97Å; V26-Y203 HydrophobicContact CG2-CD1 4.21Å; V26-Y203 HydrophobicContact CG2-CG 4.23Å
27	R	90	Very high	81.6	Confident	51 Å²	51	45.7 Å²	45.7	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-28.9	175.5	-72.9	-179.8	-55.2	-108.6	-1	112.8	D23 E24 G25 T29 C30 F123 M125 I126	D23-R27 VanDerWaalsContact CB-NH1 3.26Å; D23-R27 VanDerWaalsContact O-CB 3.31Å; D23-R27 WeakPolarHBondContact O-CB 3.3Å; D23-R27 WeakPolarHBondContact O-CG 3.33Å; D23-R27 PolarHBondContact O-N 2.87Å; D23-R27 PolarHBondContact O-NE 3.12Å; E24-R27 PolarHBondContact O-N 3.17Å; G25-R27 PolarHBondContact O-N 2.86Å; R27-T29 VanDerWaalsContact C-N 3.28Å; R27-T29 PolarHBondContact O-N 3.19Å; R27-C30 WeakPolarHBondContact O-CB 3.35Å; R27-C30 PolarHBondContact O-N 3.03Å; R27-F123 HydrophobicContact CG-CB 4.34Å; R27-F123 HydrophobicContact CG-CD2 3.74Å; R27-F123 HydrophobicContact CG-CE2 4.32Å; R27-F123 HydrophobicContact CG-CG 4.2Å; R27-M125 HydrophobicContact CB-CE 3.6Å; R27-M125 HydrophobicContact CG-CE 4.07Å; R27-I126 HydrophobicContact CB-CD1 4.27Å; R27-I126 HydrophobicContact CG-CG1 4.46Å
28	G	90.2	Very high	84.5	Confident	37 Å²	37	44 Å²	44	38%	0.381	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-28.4	174	0	0	0	0	0	113.8	E24 G25 V26 C30 E31 D32	E24-G28 PolarHBondContact O-N 2.93Å; G25-G28 WeakPolarHBondContact O-CA 3.47Å; G25-G28 PolarHBondContact O-N 2.71Å; V26-G28 PolarHBondContact O-N 3.37Å; G28-C30 PolarHBondContact O-N 2.88Å; G28-E31 PolarHBondContact O-N 3.13Å; G28-D32 PolarHBondContact O-N 2.61Å
29	T	90.6	Very high	86.8	Confident	32 Å²	32	41.1 Å²	41.1	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-28.7	179.6	69.4	0	0	0	0	113	G25 V26 R27 E31 D32 A33 Y203 C250	G25-T29 PolarHBondContact O-N 2.83Å; V26-T29 WeakPolarHBondContact O-CB 3.48Å; V26-T29 WeakPolarHBondContact O-CG2 3.35Å; V26-T29 PolarHBondContact O-N 3.44Å; V26-T29 VanDerWaalsContact O-N 3.08Å; V26-T29 PolarHBondContact O-OG1 2.91Å; R27-T29 VanDerWaalsContact C-N 3.28Å; R27-T29 PolarHBondContact O-N 3.19Å; T29-E31 VanDerWaalsContact C-N 3.32Å; T29-E31 PolarHBondContact O-N 3.07Å; T29-D32 PolarHBondContact O-N 3.36Å; T29-A33 WeakPolarHBondContact O-CB 3.3Å; T29-A33 PolarHBondContact O-N 3.22Å; T29-Y203 HydrophobicContact CG2-CE1 3.93Å; T29-Y203 HydrophobicContact CG2-CE2 4.31Å; T29-C250 HydrophobicContact CG2-CB 4.43Å; T29-C250 WeakPolarHBondContact CG2-SG 3.39Å
30	C	95.4	Very high	88.9	Confident	18 Å²	18	38.3 Å²	38.3	12%	0.122	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-41.3	173.7	177.4	0	0	0	0	111.6	R27 G28 S34 G100 I126	R27-C30 WeakPolarHBondContact O-CB 3.35Å; R27-C30 PolarHBondContact O-N 3.03Å; G28-C30 PolarHBondContact O-N 2.88Å; C30-S34 VanDerWaalsContact O-CB 3.23Å; C30-S34 WeakPolarHBondContact O-CB 3.39Å; C30-S34 PolarHBondContact O-N 2.97Å; C30-S34 PolarHBondContact O-OG 2.91Å; C30-G100 WeakPolarHBondContact SG-CA 3.42Å; C30-I126 HydrophobicContact CB-CD1 4.02Å
31	E	93.9	Very high	90.7	Very high	78 Å²	78	34.6 Å²	34.6	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-66.9	-44.7	176.7	-174.9	173.3	-174.3	0	0	111.1	G28 T29 S34 L35 R56	G28-E31 PolarHBondContact O-N 3.13Å; T29-E31 VanDerWaalsContact C-N 3.32Å; T29-E31 PolarHBondContact O-N 3.07Å; E31-S34 PolarHBondContact O-N 2.71Å; E31-L35 HydrophobicContact CG-CD1 3.88Å; E31-L35 HydrophobicContact CG-CG 4.33Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.49Å; E31-R56 IonicContact OE1-CZ 3.5Å; E31-R56 VanDerWaalsContact OE1-CZ 3.26Å; E31-R56 IonicContact OE1-NH1 3.59Å; E31-R56 PolarHBondContact OE1-NH1 3.43Å; E31-R56 IonicContact OE1-NH2 2.9Å; E31-R56 PolarHBondContact OE1-NH2 3.44Å
32	D	93.7	Very high	92.4	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	20%	0.196	S	C	.	.	H	α-helix	trans	-64.6	-45.2	-178.1	-157.7	53.2	0	0	0	111.8	G28 T29 S34 L35 C36 R248	G28-D32 PolarHBondContact O-N 2.61Å; T29-D32 PolarHBondContact O-N 3.36Å; D32-S34 PolarHBondContact O-N 2.7Å; D32-L35 PolarHBondContact O-N 3.26Å; D32-C36 PolarHBondContact O-N 3.22Å; D32-C36 PolarHBondContact O-SG 3.36Å; D32-R248 IonicContact OD2-NH1 3.16Å
33	A	96.4	Very high	93.7	Very high	22 Å²	22	35.3 Å²	35.3	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175.7	0	0	0	0	0	111.9	T29 C36 K37	T29-A33 WeakPolarHBondContact O-CB 3.3Å; T29-A33 PolarHBondContact O-N 3.22Å; A33-C36 PolarHBondContact O-N 2.96Å; A33-K37 WeakPolarHBondContact O-CB 3.35Å; A33-K37 WeakPolarHBondContact O-CG 3.46Å; A33-K37 PolarHBondContact O-N 3.4Å
34	S	97.7	Very high	94.4	Very high	8 Å²	8	36.2 Å²	36.2	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-43.3	178.4	-58.4	0	0	0	0	111.5	C30 E31 D32 K37 R38 V55 M101	C30-S34 VanDerWaalsContact O-CB 3.23Å; C30-S34 WeakPolarHBondContact O-CB 3.39Å; C30-S34 PolarHBondContact O-N 2.97Å; C30-S34 PolarHBondContact O-OG 2.91Å; E31-S34 PolarHBondContact O-N 2.71Å; D32-S34 PolarHBondContact O-N 2.7Å; S34-K37 PolarHBondContact O-N 2.64Å; S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 PolarHBondContact O-N 3Å; S34-V55 WeakPolarHBondContact O-CG1 3.45Å; S34-M101 WeakPolarHBondContact OG-CB 3.3Å
35	L	97.8	Very high	95.1	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-44	176.9	-75.8	169	0	0	0	111.9	E31 D32 F39 V55 R56	E31-L35 HydrophobicContact CG-CD1 3.88Å; E31-L35 HydrophobicContact CG-CG 4.33Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.49Å; D32-L35 PolarHBondContact O-N 3.26Å; L35-F39 VanDerWaalsContact O-CB 3.28Å; L35-F39 WeakPolarHBondContact O-CB 3.49Å; L35-F39 PolarHBondContact O-N 3.22Å; L35-V55 HydrophobicContact CD2-CG2 3.67Å; L35-V55 HydrophobicContact CG-CG2 3.78Å; L35-R56 HydrophobicContact CD2-CG 3.88Å; L35-R56 WeakPolarHBondContact CD2-O 3.4Å
36	C	97.8	Very high	95.9	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-45.4	178.4	-64.7	0	0	0	0	111.5	D32 A33 F39 A40 Y70	D32-C36 PolarHBondContact O-N 3.22Å; D32-C36 PolarHBondContact O-SG 3.36Å; A33-C36 PolarHBondContact O-N 2.96Å; C36-F39 PolarHBondContact O-N 3.31Å; C36-A40 PolarHBondContact O-N 2.97Å; C36-Y70 HydrophobicContact CB-CD1 4.49Å; C36-Y70 HydrophobicContact CB-CD2 3.73Å; C36-Y70 HydrophobicContact CB-CE1 4.11Å; C36-Y70 HydrophobicContact CB-CE2 3.28Å; C36-Y70 HydrophobicContact CB-CG 4.31Å; C36-Y70 VanDerWaalsContact CB-CZ 3.49Å
37	K	98.6	Very high	96.5	Very high	25 Å²	25	37.1 Å²	37.1	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-49.8	175.1	-75.8	-177.9	177	-175.4	0	111.4	A33 S34 F39 A40 V41 W46 I51 Y70 E198	A33-K37 WeakPolarHBondContact O-CB 3.35Å; A33-K37 WeakPolarHBondContact O-CG 3.46Å; A33-K37 PolarHBondContact O-N 3.4Å; S34-K37 PolarHBondContact O-N 2.64Å; K37-F39 VanDerWaalsContact C-N 3.33Å; K37-F39 PolarHBondContact O-N 2.9Å; K37-A40 PolarHBondContact O-N 3.19Å; K37-V41 VanDerWaalsContact O-CG2 3.29Å; K37-V41 WeakPolarHBondContact O-CG2 3.33Å; K37-V41 PolarHBondContact O-N 2.58Å; K37-W46 HydrophobicContact CB-CH2 4.18Å; K37-W46 HydrophobicContact CB-CZ2 3.89Å; K37-W46 HydrophobicContact CG-CH2 4.21Å; K37-W46 HydrophobicContact CG-CZ2 4.09Å; K37-W46 WeakPolarHBondContact O-CZ2 3.49Å; K37-I51 HydrophobicContact CB-CD1 3.46Å; K37-I51 VanDerWaalsContact CB-CD1 3.46Å; K37-Y70 HydrophobicContact CG-CD1 3.74Å; K37-Y70 HydrophobicContact CG-CE1 4.01Å; K37-E198 VanDerWaalsContact CE-OE1 3.3Å; K37-E198 WeakPolarHBondContact CE-OE1 3.49Å; K37-E198 IonicContact NZ-OE1 3.99Å; K37-E198 PolarHBondContact NZ-OE1 2.91Å; K37-E198 IonicContact NZ-OE2 2.7Å; K37-E198 PolarHBondContact NZ-OE2 3.43Å
38	R	98.4	Very high	96.9	Very high	50 Å²	50	35.2 Å²	35.2	19%	0.189	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-37.7	179.2	-179.6	170.3	174	171.3	4.4	112.4	S34 S42 I51 Q52 V55 R56 L57	S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 PolarHBondContact O-N 3Å; R38-S42 PolarHBondContact O-N 3.19Å; R38-I51 HydrophobicContact CB-CD1 4.2Å; R38-I51 HydrophobicContact CB-CG1 4.18Å; R38-I51 HydrophobicContact CB-CG2 4.13Å; R38-I51 HydrophobicContact CG-CG2 4.21Å; R38-Q52 PolarHBondContact NH1-O 2.88Å; R38-V55 HydrophobicContact CB-CG1 3.68Å; R38-V55 WeakPolarHBondContact CD-O 3.45Å; R38-V55 HydrophobicContact CG-CG1 4.3Å; R38-V55 PolarHBondContact NE-O 3.38Å; R38-V55 PolarHBondContact NH1-O 3.1Å; R38-R56 WeakPolarHBondContact CD-O 3.37Å; R38-L57 HydrophobicContact CG-CD1 4.22Å; R38-L57 VanDerWaalsContact CZ-N 3.3Å
39	F	98.5	Very high	97.3	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.066	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-48.6	177.3	-174.3	-96.5	0	0	0	111.4	L35 C36 K37 V41 S42 I43 L57 R61 K62	L35-F39 VanDerWaalsContact O-CB 3.28Å; L35-F39 WeakPolarHBondContact O-CB 3.49Å; L35-F39 PolarHBondContact O-N 3.22Å; C36-F39 PolarHBondContact O-N 3.31Å; K37-F39 VanDerWaalsContact C-N 3.33Å; K37-F39 PolarHBondContact O-N 2.9Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.36Å; F39-S42 WeakPolarHBondContact O-CB 3.48Å; F39-S42 PolarHBondContact O-N 3.06Å; F39-S42 PolarHBondContact O-OG 3.15Å; F39-I43 HydrophobicContact CD1-CD1 3.85Å; F39-I43 HydrophobicContact CE1-CD1 3.22Å; F39-I43 HydrophobicContact CE1-CG1 4.47Å; F39-I43 HydrophobicContact CE2-CD1 4.32Å; F39-I43 HydrophobicContact CZ-CD1 3.49Å; F39-I43 VanDerWaalsContact CZ-CD1 3.49Å; F39-I43 PolarHBondContact O-N 2.82Å; F39-L57 HydrophobicContact CD2-CD1 4.48Å; F39-R61 HydrophobicContact CZ-CB 4.12Å; F39-R61 HydrophobicContact CZ-CG 4.25Å; F39-K62 HydrophobicContact CB-CG 4.32Å; F39-K62 HydrophobicContact CD1-CB 3.74Å; F39-K62 HydrophobicContact CD1-CG 3.65Å; F39-K62 HydrophobicContact CE1-CB 3.88Å; F39-K62 HydrophobicContact CE1-CG 4.16Å; F39-K62 VanDerWaalsContact CE1-N 3.33Å; F39-K62 HydrophobicContact CG-CG 4.02Å
40	A	98.5	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-39.2	177.1	0	0	0	0	0	112.6	C36 K37 S42 I43 G44 Y45 W46 N67	C36-A40 PolarHBondContact O-N 2.97Å; K37-A40 PolarHBondContact O-N 3.19Å; A40-S42 VanDerWaalsContact C-N 3.31Å; A40-S42 PolarHBondContact O-N 3.01Å; A40-I43 PolarHBondContact O-N 3.46Å; A40-G44 PolarHBondContact O-N 2.89Å; A40-Y45 HydrophobicContact CB-CD2 4.06Å; A40-Y45 HydrophobicContact CB-CG 4.29Å; A40-Y45 WeakPolarHBondContact O-CD2 3.34Å; A40-Y45 PolarHBondContact O-N 3.39Å; A40-Y45 VanDerWaalsContact O-N 3.11Å; A40-W46 HydrophobicContact CB-CE3 4.43Å; A40-W46 HydrophobicContact CB-CH2 3.7Å; A40-W46 HydrophobicContact CB-CZ3 3.49Å; A40-W46 VanDerWaalsContact CB-CZ3 3.49Å; A40-N67 HydrophobicContact CB-CB 4.26Å
41	V	98.6	Very high	97.8	Very high	27 Å²	27	34.5 Å²	34.5	16%	0.164	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-42.8	171.9	170.7	0	0	0	0	111.5	K37 F39 I43 G44 W46 D48 I51	K37-V41 VanDerWaalsContact O-CG2 3.29Å; K37-V41 WeakPolarHBondContact O-CG2 3.33Å; K37-V41 PolarHBondContact O-N 2.58Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.36Å; V41-I43 PolarHBondContact O-N 3.46Å; V41-G44 PolarHBondContact O-N 3.04Å; V41-W46 HydrophobicContact CG2-CD2 3.9Å; V41-W46 HydrophobicContact CG2-CG 4.25Å; V41-W46 HydrophobicContact CG2-CH2 4.36Å; V41-W46 HydrophobicContact CG2-CZ2 3.54Å; V41-W46 VanDerWaalsContact CG2-NE1 3.26Å; V41-D48 HydrophobicContact CG1-CB 4.12Å; V41-D48 HydrophobicContact CG2-CB 3.8Å; V41-I51 HydrophobicContact CB-CG2 4.48Å; V41-I51 HydrophobicContact CG1-CG2 4.42Å; V41-I51 HydrophobicContact CG2-CG2 4.32Å
42	S	98.3	Very high	98.1	Very high	67 Å²	67	35.6 Å²	35.6	47%	0.469	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-21.2	-178.5	77.1	0	0	0	0	114.2	R38 F39 A40	R38-S42 PolarHBondContact O-N 3.19Å; F39-S42 WeakPolarHBondContact O-CB 3.48Å; F39-S42 PolarHBondContact O-N 3.06Å; F39-S42 PolarHBondContact O-OG 3.15Å; A40-S42 VanDerWaalsContact C-N 3.31Å; A40-S42 PolarHBondContact O-N 3.01Å
43	I	97.7	Very high	98.3	Very high	48 Å²	48	34.7 Å²	34.7	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-96.7	-5.4	176.4	-58.9	168.6	0	0	0	111	F39 A40 V41 Y45 L299 E300	F39-I43 HydrophobicContact CD1-CD1 3.85Å; F39-I43 HydrophobicContact CE1-CD1 3.22Å; F39-I43 HydrophobicContact CE1-CG1 4.47Å; F39-I43 HydrophobicContact CE2-CD1 4.32Å; F39-I43 HydrophobicContact CZ-CD1 3.49Å; F39-I43 VanDerWaalsContact CZ-CD1 3.49Å; F39-I43 PolarHBondContact O-N 2.82Å; A40-I43 PolarHBondContact O-N 3.46Å; V41-I43 PolarHBondContact O-N 3.46Å; I43-Y45 HydrophobicContact CB-CD2 4.34Å; I43-Y45 HydrophobicContact CB-CE2 4.43Å; I43-Y45 HydrophobicContact CG2-CD2 4.46Å; I43-Y45 HydrophobicContact CG2-CE2 4.19Å; I43-L299 HydrophobicContact CG2-CB 4.38Å; I43-E300 HydrophobicContact CG2-CG 4.11Å
44	G	98.2	Very high	98.4	Very high	34 Å²	34	34.9 Å²	34.9	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	19.7	172.9	0	0	0	0	0	115.2	A40 V41 W46 R295	A40-G44 PolarHBondContact O-N 2.89Å; V41-G44 PolarHBondContact O-N 3.04Å; G44-W46 VanDerWaalsContact C-N 3.33Å; G44-W46 PolarHBondContact O-N 3.3Å; G44-R295 PolarHBondContact O-NH1 3.2Å
45	Y	98.6	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-61.4	-41.8	176.2	-82.9	-92	0	0	0	112.1	A40 I43 N67 R68 F71 R295 I296 L299 E300	A40-Y45 HydrophobicContact CB-CD2 4.06Å; A40-Y45 HydrophobicContact CB-CG 4.29Å; A40-Y45 WeakPolarHBondContact O-CD2 3.34Å; A40-Y45 PolarHBondContact O-N 3.39Å; A40-Y45 VanDerWaalsContact O-N 3.11Å; I43-Y45 HydrophobicContact CB-CD2 4.34Å; I43-Y45 HydrophobicContact CB-CE2 4.43Å; I43-Y45 HydrophobicContact CG2-CD2 4.46Å; I43-Y45 HydrophobicContact CG2-CE2 4.19Å; Y45-N67 HydrophobicContact CD2-CB 3.99Å; Y45-N67 HydrophobicContact CE1-CB 4.09Å; Y45-N67 HydrophobicContact CE2-CB 3.39Å; Y45-N67 VanDerWaalsContact CZ-CB 3.42Å; Y45-R68 HydrophobicContact CE1-CG 3.86Å; Y45-F71 HydrophobicContact CD1-CB 3.68Å; Y45-F71 HydrophobicContact CD1-CD2 4.42Å; Y45-F71 HydrophobicContact CD1-CG 4.15Å; Y45-F71 HydrophobicContact CG-CB 4.39Å; Y45-F71 VanDerWaalsContact O-CD2 3.24Å; Y45-F71 WeakPolarHBondContact O-CD2 3Å; Y45-F71 VanDerWaalsContact O-CE2 3.3Å; Y45-F71 WeakPolarHBondContact O-CE2 3.46Å; Y45-R295 PolarHBondContact O-NH1 3.49Å; Y45-R295 PolarHBondContact O-NH2 3.39Å; Y45-I296 HydrophobicContact CD1-CB 4.18Å; Y45-I296 HydrophobicContact CD1-CG2 4.22Å; Y45-I296 HydrophobicContact CE1-CB 4.21Å; Y45-L299 HydrophobicContact CD1-CD1 4.19Å; Y45-L299 HydrophobicContact CD2-CD1 3.98Å; Y45-L299 HydrophobicContact CE1-CD1 4.46Å; Y45-L299 HydrophobicContact CE2-CD1 4.25Å; Y45-L299 HydrophobicContact CG-CD1 3.97Å; Y45-E300 HydrophobicContact CE2-CG 4.49Å; Y45-E300 VanDerWaalsContact CE2-OE2 3.23Å; Y45-E300 WeakPolarHBondContact CE2-OE2 3.46Å; Y45-E300 PolarHBondContact OH-OE2 3.06Å
46	W	98.8	Very high	98.3	Very high	32 Å²	32	41.7 Å²	41.7	12%	0.121	21%	0.207	C	C	.	.	S	Bend	trans	-147.8	168.3	167.4	67.9	95.2	0	0	0	110.7	K37 A40 V41 G44 F71 V74	K37-W46 HydrophobicContact CB-CH2 4.18Å; K37-W46 HydrophobicContact CB-CZ2 3.89Å; K37-W46 HydrophobicContact CG-CH2 4.21Å; K37-W46 HydrophobicContact CG-CZ2 4.09Å; K37-W46 WeakPolarHBondContact O-CZ2 3.49Å; A40-W46 HydrophobicContact CB-CE3 4.43Å; A40-W46 HydrophobicContact CB-CH2 3.7Å; A40-W46 HydrophobicContact CB-CZ3 3.49Å; A40-W46 VanDerWaalsContact CB-CZ3 3.49Å; V41-W46 HydrophobicContact CG2-CD2 3.9Å; V41-W46 HydrophobicContact CG2-CG 4.25Å; V41-W46 HydrophobicContact CG2-CH2 4.36Å; V41-W46 HydrophobicContact CG2-CZ2 3.54Å; V41-W46 VanDerWaalsContact CG2-NE1 3.26Å; G44-W46 VanDerWaalsContact C-N 3.33Å; G44-W46 PolarHBondContact O-N 3.3Å; W46-F71 HydrophobicContact CE3-CD2 4.37Å; W46-V74 HydrophobicContact CD2-CG1 4.24Å; W46-V74 HydrophobicContact CG-CG1 4.39Å; W46-V74 HydrophobicContact CH2-CG2 4.04Å; W46-V74 HydrophobicContact CZ2-CG2 3.95Å; W46-V74 HydrophobicContact CZ3-CG2 4.48Å
47	H	98.6	Very high	98.3	Very high	151 Å²	151	45.2 Å²	45.2	70%	0.699	23%	0.226	S	C	*	.			trans	-90.2	122.8	177.6	-173.9	65	0	0	0	111.3
48	D	98.8	Very high	98	Very high	11 Å²	11	45 Å²	45	6%	0.059	23%	0.227	C	C	.	.			trans	-149.7	98.4	172.5	-173.8	-23.4	0	0	0	109.8	V41 Y50 I51 T103 R107	V41-D48 HydrophobicContact CG1-CB 4.12Å; V41-D48 HydrophobicContact CG2-CB 3.8Å; D48-Y50 PolarHBondContact O-N 3.17Å; D48-Y50 WeakPolarHBondContact OD1-CA 3.47Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.15Å; D48-Y50 PolarHBondContact OD1-N 2.96Å; D48-I51 HydrophobicContact CB-CG2 4.21Å; D48-I51 PolarHBondContact OD1-N 3.2Å; D48-T103 WeakPolarHBondContact OD2-CB 3.43Å; D48-T103 PolarHBondContact OD2-OG1 2.97Å; D48-R107 IonicContact OD2-NE 2.64Å
49	P	98.6	Very high	97.5	Very high	42 Å²	42	52.6 Å²	52.6	27%	0.273	26%	0.262	S	S	.	.	S	Bend	trans	-78.7	-4.3	-179.7	32	-33	0	0	0	113	Q52	P49-Q52 WeakPolarHBondContact O-CG 3.29Å; P49-Q52 PolarHBondContact O-NE2 2.91Å
50	Y	98.8	Very high	97.1	Very high	25 Å²	25	59.1 Å²	59.1	10%	0.098	29%	0.292	C	S	.	.	S	Bend	trans	-101.3	-35.6	-170.2	-57.3	-72.1	0	0	0	113	D48 Q52 H53 W106 R107 D110 L140	D48-Y50 PolarHBondContact O-N 3.17Å; D48-Y50 WeakPolarHBondContact OD1-CA 3.47Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.15Å; D48-Y50 PolarHBondContact OD1-N 2.96Å; Y50-Q52 PolarHBondContact O-N 3.29Å; Y50-H53 WeakPolarHBondContact O-CB 3.38Å; Y50-H53 PolarHBondContact O-N 3.35Å; Y50-W106 HydrophobicContact CD1-CB 3.76Å; Y50-W106 AromaticContact CD1-CG 3.92Å; Y50-W106 HydrophobicContact CD1-CG 3.92Å; Y50-W106 HydrophobicContact CD2-CB 3.5Å; Y50-W106 HydrophobicContact CD2-CG 4.43Å; Y50-W106 HydrophobicContact CE1-CB 3.69Å; Y50-W106 HydrophobicContact CE1-CG 4.05Å; Y50-W106 HydrophobicContact CE2-CB 3.42Å; Y50-W106 VanDerWaalsContact CE2-CB 3.42Å; Y50-W106 HydrophobicContact CG-CB 3.67Å; Y50-W106 HydrophobicContact CG-CG 4.12Å; Y50-R107 HydrophobicContact CD2-CG 4.04Å; Y50-R107 HydrophobicContact CE2-CG 4.28Å; Y50-D110 WeakPolarHBondContact CE2-OD2 3.44Å; Y50-D110 VanDerWaalsContact CZ-OD2 3.24Å; Y50-D110 PolarHBondContact OH-OD1 3.03Å; Y50-D110 PolarHBondContact OH-OD2 3Å; Y50-L140 HydrophobicContact CD1-CD2 4.11Å
51	I	98.7	Very high	96.8	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.026	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.3	-173.4	-163.1	165.5	0	0	0	113.2	K37 R38 V41 D48 H53 F54 V55 T103	K37-I51 HydrophobicContact CB-CD1 3.46Å; K37-I51 VanDerWaalsContact CB-CD1 3.46Å; R38-I51 HydrophobicContact CB-CD1 4.2Å; R38-I51 HydrophobicContact CB-CG1 4.18Å; R38-I51 HydrophobicContact CB-CG2 4.13Å; R38-I51 HydrophobicContact CG-CG2 4.21Å; V41-I51 HydrophobicContact CB-CG2 4.48Å; V41-I51 HydrophobicContact CG1-CG2 4.42Å; V41-I51 HydrophobicContact CG2-CG2 4.32Å; D48-I51 HydrophobicContact CB-CG2 4.21Å; D48-I51 PolarHBondContact OD1-N 3.2Å; I51-H53 PolarHBondContact O-N 3.07Å; I51-H53 VanDerWaalsContact O-N 3.14Å; I51-F54 PolarHBondContact O-N 3.38Å; I51-F54 VanDerWaalsContact O-N 3.11Å; I51-V55 HydrophobicContact CG1-CG1 4.06Å; I51-V55 PolarHBondContact O-N 2.96Å; I51-T103 HydrophobicContact CB-CG2 3.94Å; I51-T103 HydrophobicContact CG1-CG2 4.42Å
52	Q	98.5	Very high	96.4	Very high	101 Å²	101	69 Å²	69	47%	0.472	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-60.6	-20.5	175.3	62.9	173.8	-8.6	0	0	114.5	R38 P49 Y50	R38-Q52 PolarHBondContact NH1-O 2.88Å; P49-Q52 WeakPolarHBondContact O-CG 3.29Å; P49-Q52 PolarHBondContact O-NE2 2.91Å; Y50-Q52 PolarHBondContact O-N 3.29Å
53	H	98.5	Very high	96.3	Very high	45 Å²	45	67.7 Å²	67.7	21%	0.208	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-85.3	-15.3	179.1	-61.2	-47.1	0	0	0	113.3	Y50 I51 K137 L140	Y50-H53 WeakPolarHBondContact O-CB 3.38Å; Y50-H53 PolarHBondContact O-N 3.35Å; I51-H53 PolarHBondContact O-N 3.07Å; I51-H53 VanDerWaalsContact O-N 3.14Å; H53-K137 HydrophobicContact CB-CG 4.37Å; H53-L140 HydrophobicContact CB-CD1 3.63Å; H53-L140 HydrophobicContact CB-CD2 4.26Å; H53-L140 HydrophobicContact CB-CG 4.02Å
54	F	98.3	Very high	96.2	Very high	25 Å²	25	66.8 Å²	66.8	11%	0.11	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-34.1	-175.5	-67.2	-66.6	0	0	0	114.5	I51 M101 T103 W106 K130 I134 L140	I51-F54 PolarHBondContact O-N 3.38Å; I51-F54 VanDerWaalsContact O-N 3.11Å; F54-M101 HydrophobicContact CB-CB 3.72Å; F54-M101 HydrophobicContact CB-CG 3.94Å; F54-M101 HydrophobicContact CB-SD 3.96Å; F54-M101 HydrophobicContact CD1-SD 3.86Å; F54-M101 HydrophobicContact CG-CB 4.14Å; F54-M101 HydrophobicContact CG-SD 4.19Å; F54-T103 HydrophobicContact CD2-CG2 4.06Å; F54-T103 HydrophobicContact CE2-CG2 4.09Å; F54-W106 HydrophobicContact CE1-CH2 4.5Å; F54-W106 HydrophobicContact CE2-CE3 4.43Å; F54-W106 AromaticContact CE2-CH2 3.99Å; F54-W106 HydrophobicContact CE2-CH2 3.99Å; F54-W106 AromaticContact CE2-CZ3 3.81Å; F54-W106 HydrophobicContact CE2-CZ3 3.81Å; F54-W106 AromaticContact CZ-CH2 3.44Å; F54-W106 HydrophobicContact CZ-CH2 3.44Å; F54-W106 VanDerWaalsContact CZ-CH2 3.44Å; F54-W106 HydrophobicContact CZ-CZ2 4.1Å; F54-W106 AromaticContact CZ-CZ3 3.75Å; F54-W106 HydrophobicContact CZ-CZ3 3.75Å; F54-K130 HydrophobicContact CD1-CG 4.11Å; F54-K130 HydrophobicContact CE1-CG 3.61Å; F54-K130 HydrophobicContact CZ-CG 4.34Å; F54-I134 HydrophobicContact CE1-CG1 4.15Å; F54-I134 HydrophobicContact CZ-CG1 4.27Å; F54-L140 HydrophobicContact CD1-CD1 4.35Å; F54-L140 HydrophobicContact CE1-CD1 3.61Å; F54-L140 HydrophobicContact CE2-CD1 3.92Å; F54-L140 HydrophobicContact CE2-CD2 3.74Å; F54-L140 HydrophobicContact CZ-CD1 3.35Å; F54-L140 HydrophobicContact CZ-CD2 3.78Å; F54-L140 HydrophobicContact CZ-CG 4.17Å
55	V	97.7	Very high	96.2	Very high	15 Å²	15	66.9 Å²	66.9	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-139.6	142.9	-173.7	65.9	0	0	0	0	109.4	S34 L35 R38 I51	S34-V55 WeakPolarHBondContact O-CG1 3.45Å; L35-V55 HydrophobicContact CD2-CG2 3.67Å; L35-V55 HydrophobicContact CG-CG2 3.78Å; R38-V55 HydrophobicContact CB-CG1 3.68Å; R38-V55 WeakPolarHBondContact CD-O 3.45Å; R38-V55 HydrophobicContact CG-CG1 4.3Å; R38-V55 PolarHBondContact NE-O 3.38Å; R38-V55 PolarHBondContact NH1-O 3.1Å; I51-V55 HydrophobicContact CG1-CG1 4.06Å; I51-V55 PolarHBondContact O-N 2.96Å
56	R	96.6	Very high	96	Very high	154 Å²	154	69.2 Å²	69.2	58%	0.581	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-63.1	157	176.8	65.6	-176.8	179	-85.1	-6.8	112.7	E31 L35 R38 S58	E31-R56 IonicContact OE1-CZ 3.5Å; E31-R56 VanDerWaalsContact OE1-CZ 3.26Å; E31-R56 IonicContact OE1-NH1 3.59Å; E31-R56 PolarHBondContact OE1-NH1 3.43Å; E31-R56 IonicContact OE1-NH2 2.9Å; E31-R56 PolarHBondContact OE1-NH2 3.44Å; L35-R56 HydrophobicContact CD2-CG 3.88Å; L35-R56 WeakPolarHBondContact CD2-O 3.4Å; R38-R56 WeakPolarHBondContact CD-O 3.37Å; R56-S58 PolarHBondContact O-N 3.49Å
57	L	96.3	Very high	96	Very high	78 Å²	78	67.7 Å²	67.7	41%	0.408	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-74.5	125.2	169.6	-178	59.1	0	0	0	109.5	R38 F39	R38-L57 HydrophobicContact CG-CD1 4.22Å; R38-L57 VanDerWaalsContact CZ-N 3.3Å; F39-L57 HydrophobicContact CD2-CD1 4.48Å
58	S	92.6	Very high	96	Very high	20 Å²	20	60.8 Å²	60.8	14%	0.14	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.6	135.1	172.9	-177.8	0	0	0	0	110.3	R56 E60	R56-S58 PolarHBondContact O-N 3.49Å; S58-E60 PolarHBondContact OG-N 2.92Å; S58-E60 PolarHBondContact OG-O 3.23Å
59	K	89.3	Confident	96	Very high	210 Å²	210	60.5 Å²	60.5	91%	0.913	28%	0.283	S	S	*	.	S	Bend	trans	-84.5	-25.3	171.1	-64.6	-175.2	-179.4	-179.6	0	112.2
60	E	90.4	Very high	96	Very high	151 Å²	151	60 Å²	60	71%	0.706	28%	0.276	S	S	*	.	S	Bend	trans	-80.9	132.8	176.7	-67.2	176.5	-172.1	0	0	109.5	S58	S58-E60 PolarHBondContact OG-N 2.92Å; S58-E60 PolarHBondContact OG-O 3.23Å
61	R	90.3	Very high	96	Very high	191 Å²	191	59.1 Å²	59.1	72%	0.721	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-67.1	138.7	175.7	-64.5	-172.8	68.2	115.5	5.4	109.8	F39 E300	F39-R61 HydrophobicContact CZ-CB 4.12Å; F39-R61 HydrophobicContact CZ-CG 4.25Å; R61-E300 IonicContact NH2-OE1 3.43Å; R61-E300 PolarHBondContact NH2-OE1 3.05Å; R61-E300 VanDerWaalsContact NH2-OE1 3.16Å
62	K	92.3	Very high	96	Very high	44 Å²	44	58.9 Å²	58.9	19%	0.191	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-90.1	145.5	164.3	-56.6	-61.1	-175.4	173.1	0	108.4	F39 I66 N67	F39-K62 HydrophobicContact CB-CG 4.32Å; F39-K62 HydrophobicContact CD1-CB 3.74Å; F39-K62 HydrophobicContact CD1-CG 3.65Å; F39-K62 HydrophobicContact CE1-CB 3.88Å; F39-K62 HydrophobicContact CE1-CG 4.16Å; F39-K62 VanDerWaalsContact CE1-N 3.33Å; F39-K62 HydrophobicContact CG-CG 4.02Å; K62-I66 HydrophobicContact CB-CG2 4.48Å; K62-N67 WeakPolarHBondContact CB-OD1 3.4Å
63	A	94.4	Very high	96	Very high	40 Å²	40	54.7 Å²	54.7	33%	0.331	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-64.7	144.9	178.4	0	0	0	0	0	110.4	E65 I66 N67	A63-E65 VanDerWaalsContact CB-CD 3.43Å; A63-E65 WeakPolarHBondContact CB-OE1 3.21Å; A63-E65 WeakPolarHBondContact CB-OE2 3.14Å; A63-E65 PolarHBondContact O-N 3.36Å; A63-I66 HydrophobicContact CB-CG1 4.27Å; A63-I66 WeakPolarHBondContact O-CB 3.5Å; A63-I66 PolarHBondContact O-N 3.45Å; A63-N67 PolarHBondContact O-N 3.12Å
64	P	96.8	Very high	96	Very high	29 Å²	29	53.4 Å²	53.4	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-36.8	-173.2	-26.6	35.2	0	0	0	113.9	I66 N67 R68 E300 F301 L302	P64-I66 VanDerWaalsContact C-N 3.26Å; P64-I66 PolarHBondContact O-N 2.85Å; P64-N67 PolarHBondContact O-N 3.27Å; P64-N67 VanDerWaalsContact O-N 3.16Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.88Å; P64-E300 HydrophobicContact CB-CB 4.06Å; P64-E300 HydrophobicContact CG-CB 4.26Å; P64-F301 WeakPolarHBondContact CG-O 3.31Å; P64-L302 HydrophobicContact CB-CB 4.25Å; P64-L302 HydrophobicContact CB-CD1 4.36Å
65	E	96.7	Very high	96	Very high	35 Å²	35	53.8 Å²	53.8	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-31.6	177.2	71.6	-76.5	-177.2	0	0	112.8	A63 G69 L302 L307 L308	A63-E65 VanDerWaalsContact CB-CD 3.43Å; A63-E65 WeakPolarHBondContact CB-OE1 3.21Å; A63-E65 WeakPolarHBondContact CB-OE2 3.14Å; A63-E65 PolarHBondContact O-N 3.36Å; E65-G69 PolarHBondContact O-N 3.34Å; E65-L302 HydrophobicContact CB-CD1 4.47Å; E65-L302 HydrophobicContact CB-CD2 4.44Å; E65-L307 HydrophobicContact CG-CB 4.46Å; E65-L308 HydrophobicContact CB-CB 3.97Å; E65-L308 HydrophobicContact CB-CD1 3.97Å
66	I	96.3	Very high	96	Very high	49 Å²	49	53 Å²	53	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-68.6	-45.8	173.2	-58.1	-61.4	0	0	0	110.1	K62 A63 P64 G69 Y70 L311	K62-I66 HydrophobicContact CB-CG2 4.48Å; A63-I66 HydrophobicContact CB-CG1 4.27Å; A63-I66 WeakPolarHBondContact O-CB 3.5Å; A63-I66 PolarHBondContact O-N 3.45Å; P64-I66 VanDerWaalsContact C-N 3.26Å; P64-I66 PolarHBondContact O-N 2.85Å; I66-G69 PolarHBondContact O-N 2.9Å; I66-Y70 HydrophobicContact CG2-CD2 3.86Å; I66-Y70 HydrophobicContact CG2-CE2 3.97Å; I66-Y70 WeakPolarHBondContact O-CD2 3.22Å; I66-Y70 PolarHBondContact O-N 3.27Å; I66-L311 HydrophobicContact CD1-CD1 3.89Å
67	N	97.9	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-179.8	-61.2	-33.6	0	0	0	111.5	A40 Y45 K62 A63 P64 G69 Y70 F71 E300	A40-N67 HydrophobicContact CB-CB 4.26Å; Y45-N67 HydrophobicContact CD2-CB 3.99Å; Y45-N67 HydrophobicContact CE1-CB 4.09Å; Y45-N67 HydrophobicContact CE2-CB 3.39Å; Y45-N67 VanDerWaalsContact CZ-CB 3.42Å; K62-N67 WeakPolarHBondContact CB-OD1 3.4Å; A63-N67 PolarHBondContact O-N 3.12Å; P64-N67 PolarHBondContact O-N 3.27Å; P64-N67 VanDerWaalsContact O-N 3.16Å; N67-G69 VanDerWaalsContact C-N 3.33Å; N67-G69 PolarHBondContact O-N 3.38Å; N67-Y70 PolarHBondContact O-N 3.39Å; N67-F71 WeakPolarHBondContact O-CB 3.35Å; N67-F71 PolarHBondContact O-N 2.99Å; N67-E300 PolarHBondContact ND2-OE2 3.19Å
68	R	98.3	Very high	96.3	Very high	6 Å²	6	43.3 Å²	43.3	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-40.9	172.1	-70.4	179.5	-176.9	-152	5.7	111.7	Y45 P64 F71 A72 Y285 E297 E300 L308 M312	Y45-R68 HydrophobicContact CE1-CG 3.86Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.88Å; R68-F71 PolarHBondContact O-N 3.15Å; R68-A72 PolarHBondContact O-N 3.07Å; R68-Y285 HydrophobicContact CB-CE2 4.42Å; R68-Y285 PolarHBondContact NH1-OH 3.04Å; R68-E297 IonicContact CZ-OE1 2.76Å; R68-E297 IonicContact NH1-OE1 2.61Å; R68-E297 PolarHBondContact NH1-OE1 3.33Å; R68-E300 PolarHBondContact NH2-O 3.49Å; R68-L308 HydrophobicContact CB-CD1 3.92Å; R68-M312 WeakPolarHBondContact O-CE 3.3Å
69	G	98.3	Very high	96.6	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-53.4	171.6	0	0	0	0	0	112.9	E65 I66 N67 F71 A72 R73 M312	E65-G69 PolarHBondContact O-N 3.34Å; I66-G69 PolarHBondContact O-N 2.9Å; N67-G69 VanDerWaalsContact C-N 3.33Å; N67-G69 PolarHBondContact O-N 3.38Å; G69-F71 VanDerWaalsContact C-N 3.33Å; G69-F71 PolarHBondContact O-N 3.39Å; G69-A72 PolarHBondContact O-N 2.94Å; G69-R73 WeakPolarHBondContact O-CB 3.23Å; G69-R73 PolarHBondContact O-N 2.75Å; G69-M312 VanDerWaalsContact CA-CE 3.4Å
70	Y	98.6	Very high	97	Very high	33 Å²	33	35.1 Å²	35.1	13%	0.129	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-36.1	177.3	-89.7	-81.4	0	0	0	112.9	C36 K37 I66 N67 V74	C36-Y70 HydrophobicContact CB-CD1 4.49Å; C36-Y70 HydrophobicContact CB-CD2 3.73Å; C36-Y70 HydrophobicContact CB-CE1 4.11Å; C36-Y70 HydrophobicContact CB-CE2 3.28Å; C36-Y70 HydrophobicContact CB-CG 4.31Å; C36-Y70 VanDerWaalsContact CB-CZ 3.49Å; K37-Y70 HydrophobicContact CG-CD1 3.74Å; K37-Y70 HydrophobicContact CG-CE1 4.01Å; I66-Y70 HydrophobicContact CG2-CD2 3.86Å; I66-Y70 HydrophobicContact CG2-CE2 3.97Å; I66-Y70 WeakPolarHBondContact O-CD2 3.22Å; I66-Y70 PolarHBondContact O-N 3.27Å; N67-Y70 PolarHBondContact O-N 3.39Å; Y70-V74 WeakPolarHBondContact O-CB 3.21Å; Y70-V74 VanDerWaalsContact O-CG2 3.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 3.49Å
71	F	98.7	Very high	97.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.022	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-51.5	173.1	171.1	-94.2	0	0	0	111.6	Y45 W46 N67 R68 G69 R73 V74 H75 L288 E292 R295 I296	Y45-F71 HydrophobicContact CD1-CB 3.68Å; Y45-F71 HydrophobicContact CD1-CD2 4.42Å; Y45-F71 HydrophobicContact CD1-CG 4.15Å; Y45-F71 HydrophobicContact CG-CB 4.39Å; Y45-F71 VanDerWaalsContact O-CD2 3.24Å; Y45-F71 WeakPolarHBondContact O-CD2 3Å; Y45-F71 VanDerWaalsContact O-CE2 3.3Å; Y45-F71 WeakPolarHBondContact O-CE2 3.46Å; W46-F71 HydrophobicContact CE3-CD2 4.37Å; N67-F71 WeakPolarHBondContact O-CB 3.35Å; N67-F71 PolarHBondContact O-N 2.99Å; R68-F71 PolarHBondContact O-N 3.15Å; G69-F71 VanDerWaalsContact C-N 3.33Å; G69-F71 PolarHBondContact O-N 3.39Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.88Å; F71-V74 PolarHBondContact O-N 3.32Å; F71-H75 HydrophobicContact CE1-CB 4.36Å; F71-H75 HydrophobicContact CZ-CB 4.31Å; F71-H75 VanDerWaalsContact O-CB 3.23Å; F71-H75 WeakPolarHBondContact O-CB 3.26Å; F71-H75 PolarHBondContact O-N 3.1Å; F71-L288 HydrophobicContact CD1-CD1 4.47Å; F71-L288 HydrophobicContact CE1-CD1 3.89Å; F71-L288 HydrophobicContact CE1-CD2 4.44Å; F71-E292 WeakPolarHBondContact CZ-OE2 3.39Å; F71-R295 VanDerWaalsContact CE2-NH2 3.33Å; F71-I296 HydrophobicContact CD1-CD1 3.46Å; F71-I296 VanDerWaalsContact CD1-CD1 3.46Å; F71-I296 HydrophobicContact CD1-CG2 4.02Å; F71-I296 HydrophobicContact CD2-CG2 3.96Å; F71-I296 HydrophobicContact CE1-CD1 3.47Å; F71-I296 VanDerWaalsContact CE1-CD1 3.47Å; F71-I296 HydrophobicContact CE1-CG2 3.86Å; F71-I296 HydrophobicContact CE2-CG2 3.79Å; F71-I296 HydrophobicContact CG-CD1 4.35Å; F71-I296 HydrophobicContact CG-CG2 4.06Å; F71-I296 HydrophobicContact CZ-CD1 4.35Å; F71-I296 HydrophobicContact CZ-CG2 3.73Å
72	A	98.6	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-41	-179.9	0	0	0	0	0	111.7	R68 G69 G76 M281 L284 Y285 M312	R68-A72 PolarHBondContact O-N 3.07Å; G69-A72 PolarHBondContact O-N 2.94Å; A72-G76 PolarHBondContact O-N 3.15Å; A72-M281 VanDerWaalsContact C-CE 3.41Å; A72-M281 HydrophobicContact CB-CE 3.79Å; A72-M281 WeakPolarHBondContact O-CE 3.27Å; A72-L284 HydrophobicContact CB-CD2 4.18Å; A72-Y285 HydrophobicContact CB-CD2 4.26Å; A72-M312 HydrophobicContact CB-CE 3.75Å; A72-M312 HydrophobicContact CB-SD 4.3Å
73	R	98.7	Very high	98.1	Very high	14 Å²	14	19 Å²	19	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-56.2	-56	173	171.4	-176.9	173.1	155.5	1.5	111.9	G69 F71 V77 E198 C199 Y228	G69-R73 WeakPolarHBondContact O-CB 3.23Å; G69-R73 PolarHBondContact O-N 2.75Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.88Å; R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 2.97Å; R73-V77 VanDerWaalsContact O-N 3.14Å; R73-E198 IonicContact CZ-OE1 2.67Å; R73-E198 IonicContact NE-OE1 3.18Å; R73-E198 PolarHBondContact NE-OE1 3.39Å; R73-E198 PolarHBondContact NH2-O 3.08Å; R73-E198 IonicContact NH2-OE1 2.85Å; R73-E198 PolarHBondContact NH2-OE1 3.47Å; R73-C199 PolarHBondContact NH1-SG 3Å; R73-C199 VanDerWaalsContact NH1-SG 3.39Å; R73-Y228 HydrophobicContact CB-CD2 4.32Å; R73-Y228 HydrophobicContact CB-CE1 4.34Å; R73-Y228 HydrophobicContact CB-CE2 3.66Å; R73-Y228 HydrophobicContact CG-CD1 3.89Å; R73-Y228 HydrophobicContact CG-CD2 3.96Å; R73-Y228 HydrophobicContact CG-CE1 3.65Å; R73-Y228 HydrophobicContact CG-CE2 3.65Å; R73-Y228 HydrophobicContact CG-CG 4.07Å
74	V	98.7	Very high	98.4	Very high	17 Å²	17	17.1 Å²	17.1	10%	0.103	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-42	-178.1	170.5	0	0	0	0	110.9	W46 Y70 F71 S78	W46-V74 HydrophobicContact CD2-CG1 4.24Å; W46-V74 HydrophobicContact CG-CG1 4.39Å; W46-V74 HydrophobicContact CH2-CG2 4.04Å; W46-V74 HydrophobicContact CZ2-CG2 3.95Å; W46-V74 HydrophobicContact CZ3-CG2 4.48Å; Y70-V74 WeakPolarHBondContact O-CB 3.21Å; Y70-V74 VanDerWaalsContact O-CG2 3.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 3.49Å; F71-V74 PolarHBondContact O-N 3.32Å; V74-S78 WeakPolarHBondContact O-CB 3.33Å; V74-S78 PolarHBondContact O-N 3.45Å
75	H	98.7	Very high	98.5	Very high	33 Å²	33	15.8 Å²	15.8	15%	0.153	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-52.7	178.1	-174.1	92.5	0	0	0	111.4	F71 V77 S78 Q79 L288	F71-H75 HydrophobicContact CE1-CB 4.36Å; F71-H75 HydrophobicContact CZ-CB 4.31Å; F71-H75 VanDerWaalsContact O-CB 3.23Å; F71-H75 WeakPolarHBondContact O-CB 3.26Å; F71-H75 PolarHBondContact O-N 3.1Å; H75-V77 PolarHBondContact O-N 3.39Å; H75-S78 PolarHBondContact O-N 3.39Å; H75-Q79 WeakPolarHBondContact O-CB 3.37Å; H75-Q79 VanDerWaalsContact O-CG 3.24Å; H75-Q79 WeakPolarHBondContact O-CG 3.21Å; H75-Q79 PolarHBondContact O-N 3.15Å; H75-L288 WeakPolarHBondContact CD2-CD2 3.43Å
76	G	98.7	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-47	-178.3	0	0	0	0	0	113	A72 Q79 L80	A72-G76 PolarHBondContact O-N 3.15Å; G76-Q79 PolarHBondContact O-N 3.44Å; G76-L80 PolarHBondContact O-N 2.86Å
77	V	98.9	Very high	98.6	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-44.2	175.4	173.6	0	0	0	0	110.7	R73 H75 Q79 L80 I81 I196 E198 I226 L317	R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 2.97Å; R73-V77 VanDerWaalsContact O-N 3.14Å; H75-V77 PolarHBondContact O-N 3.39Å; V77-Q79 VanDerWaalsContact C-N 3.32Å; V77-Q79 PolarHBondContact O-N 3.36Å; V77-L80 PolarHBondContact O-N 3.42Å; V77-I81 HydrophobicContact CG1-CD1 3.73Å; V77-I81 HydrophobicContact CG1-CG1 4.36Å; V77-I81 VanDerWaalsContact O-CG1 3.28Å; V77-I81 WeakPolarHBondContact O-CG1 3.49Å; V77-I81 PolarHBondContact O-N 3.3Å; V77-I196 HydrophobicContact CG1-CG2 4.36Å; V77-E198 HydrophobicContact CG2-CG 4.3Å; V77-I226 HydrophobicContact CG2-CG2 4.29Å; V77-L317 HydrophobicContact CG2-CD1 3.85Å
78	S	98.8	Very high	98.7	Very high	22 Å²	22	23.1 Å²	23.1	15%	0.154	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-38.3	179	-175.3	0	0	0	0	112.8	V74 H75 I81 K82	V74-S78 WeakPolarHBondContact O-CB 3.33Å; V74-S78 PolarHBondContact O-N 3.45Å; H75-S78 PolarHBondContact O-N 3.39Å; S78-I81 PolarHBondContact O-N 2.85Å; S78-K82 WeakPolarHBondContact O-CB 3.41Å; S78-K82 VanDerWaalsContact O-CG 3.27Å; S78-K82 WeakPolarHBondContact O-CG 3.35Å; S78-K82 PolarHBondContact O-N 2.98Å; S78-K82 WeakPolarHBondContact OG-CE 3.38Å
79	Q	98.8	Very high	98.7	Very high	57 Å²	57	31 Å²	31	27%	0.266	14%	0.142	S	C	.	.	H	α-helix	trans	-65	-44.3	178.7	-74.4	-73.7	103.3	0	0	111.9	H75 G76 V77 K82 A83 Y334	H75-Q79 WeakPolarHBondContact O-CB 3.37Å; H75-Q79 VanDerWaalsContact O-CG 3.24Å; H75-Q79 WeakPolarHBondContact O-CG 3.21Å; H75-Q79 PolarHBondContact O-N 3.15Å; G76-Q79 PolarHBondContact O-N 3.44Å; V77-Q79 VanDerWaalsContact C-N 3.32Å; V77-Q79 PolarHBondContact O-N 3.36Å; Q79-K82 PolarHBondContact O-N 2.95Å; Q79-A83 WeakPolarHBondContact O-CB 3.3Å; Q79-A83 PolarHBondContact O-N 2.94Å; Q79-Y334 WeakPolarHBondContact CB-OXT 3.37Å; Q79-Y334 VanDerWaalsContact CG-OXT 3.29Å; Q79-Y334 WeakPolarHBondContact CG-OXT 3.41Å; Q79-Y334 PolarHBondContact NE2-OXT 3.16Å
80	L	98.9	Very high	98.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-41	176.8	-68.1	178	0	0	0	112	G76 V77 K82 A83 F84 M224 I226 L317 W319 I332	G76-L80 PolarHBondContact O-N 2.86Å; V77-L80 PolarHBondContact O-N 3.42Å; L80-K82 PolarHBondContact O-N 3.28Å; L80-A83 PolarHBondContact O-N 2.91Å; L80-F84 PolarHBondContact O-N 2.94Å; L80-M224 HydrophobicContact CB-CE 4.05Å; L80-M224 HydrophobicContact CD1-CE 4.45Å; L80-M224 HydrophobicContact CD2-CE 4.07Å; L80-M224 HydrophobicContact CG-CE 4.43Å; L80-I226 HydrophobicContact CB-CD1 3.46Å; L80-I226 VanDerWaalsContact CB-CD1 3.46Å; L80-I226 HydrophobicContact CB-CG1 4.16Å; L80-I226 HydrophobicContact CD1-CD1 4.16Å; L80-I226 HydrophobicContact CD1-CG1 4.04Å; L80-I226 HydrophobicContact CD1-CG2 4.27Å; L80-I226 HydrophobicContact CG-CD1 4.48Å; L80-L317 HydrophobicContact CD1-CD1 4.13Å; L80-L317 HydrophobicContact CD1-CD2 3.69Å; L80-L317 HydrophobicContact CD1-CG 3.9Å; L80-L317 HydrophobicContact CG-CD2 4.42Å; L80-W319 HydrophobicContact CD1-CB 4.08Å; L80-W319 HydrophobicContact CD1-CD2 4.25Å; L80-W319 HydrophobicContact CD1-CE3 4.1Å; L80-W319 HydrophobicContact CD1-CG 4.27Å; L80-W319 HydrophobicContact CD2-CD2 4.15Å; L80-W319 HydrophobicContact CD2-CE3 4.47Å; L80-W319 HydrophobicContact CD2-CG 4.3Å; L80-I332 HydrophobicContact CD2-CG2 3.75Å
81	I	98.9	Very high	98.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-50.2	173.2	-68.5	166.4	0	0	0	110.3	V77 S78 A83 F84 L85 I94 T104 L108 L194 I196 I226	V77-I81 HydrophobicContact CG1-CD1 3.73Å; V77-I81 HydrophobicContact CG1-CG1 4.36Å; V77-I81 VanDerWaalsContact O-CG1 3.28Å; V77-I81 WeakPolarHBondContact O-CG1 3.49Å; V77-I81 PolarHBondContact O-N 3.3Å; S78-I81 PolarHBondContact O-N 2.85Å; I81-A83 VanDerWaalsContact C-N 3.32Å; I81-A83 PolarHBondContact O-N 3.14Å; I81-F84 PolarHBondContact O-N 3.5Å; I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3.34Å; I81-I94 HydrophobicContact CG2-CD1 3.97Å; I81-T104 HydrophobicContact CD1-CG2 4.21Å; I81-L108 HydrophobicContact CG2-CD1 4.22Å; I81-L108 HydrophobicContact CG2-CD2 4.33Å; I81-L194 HydrophobicContact CB-CD2 4.29Å; I81-L194 HydrophobicContact CG1-CD2 3.87Å; I81-L194 HydrophobicContact CG2-CD2 4.48Å; I81-I196 HydrophobicContact CD1-CD1 3.68Å; I81-I196 HydrophobicContact CG1-CD1 3.89Å; I81-I226 HydrophobicContact CG1-CD1 4.19Å
82	K	98.8	Very high	98.7	Very high	38 Å²	38	36 Å²	36	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-38.5	179.2	-72.7	176.5	-176.5	-168.3	0	111.9	S78 Q79 L80 R86 E111 L113	S78-K82 WeakPolarHBondContact O-CB 3.41Å; S78-K82 VanDerWaalsContact O-CG 3.27Å; S78-K82 WeakPolarHBondContact O-CG 3.35Å; S78-K82 PolarHBondContact O-N 2.98Å; S78-K82 WeakPolarHBondContact OG-CE 3.38Å; Q79-K82 PolarHBondContact O-N 2.95Å; L80-K82 PolarHBondContact O-N 3.28Å; K82-R86 WeakPolarHBondContact O-CB 3.08Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.37Å; K82-E111 WeakPolarHBondContact CE-OE1 3.33Å; K82-E111 WeakPolarHBondContact CE-OE2 3.45Å; K82-E111 IonicContact NZ-OE1 3.19Å; K82-E111 PolarHBondContact NZ-OE1 2.6Å; K82-E111 IonicContact NZ-OE2 3.36Å; K82-E111 PolarHBondContact NZ-OE2 2.87Å; K82-L113 HydrophobicContact CG-CD1 4.19Å
83	A	98.8	Very high	98.7	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-44.1	176.3	0	0	0	0	0	111.9	Q79 L80 I81 R86 K87 I332	Q79-A83 WeakPolarHBondContact O-CB 3.3Å; Q79-A83 PolarHBondContact O-N 2.94Å; L80-A83 PolarHBondContact O-N 2.91Å; I81-A83 VanDerWaalsContact C-N 3.32Å; I81-A83 PolarHBondContact O-N 3.14Å; A83-R86 PolarHBondContact O-N 3.22Å; A83-K87 WeakPolarHBondContact O-CG 3.38Å; A83-K87 PolarHBondContact O-N 2.94Å; A83-K87 VanDerWaalsContact O-N 3.08Å; A83-I332 HydrophobicContact CB-CG1 4.26Å; A83-I332 HydrophobicContact CB-CG2 3.71Å
84	F	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-49.9	175.2	-177	-97.1	0	0	0	111.7	L80 I81 R86 K87 T88 C92 P192 L194 M224 L329 I332	L80-F84 PolarHBondContact O-N 2.94Å; I81-F84 PolarHBondContact O-N 3.5Å; F84-R86 VanDerWaalsContact C-N 3.28Å; F84-R86 PolarHBondContact O-N 2.9Å; F84-K87 PolarHBondContact O-N 2.81Å; F84-K87 VanDerWaalsContact O-N 3.1Å; F84-T88 HydrophobicContact CD1-CG2 4.32Å; F84-T88 HydrophobicContact CD2-CG2 4.47Å; F84-T88 HydrophobicContact CE1-CG2 3.98Å; F84-T88 HydrophobicContact CE2-CG2 4.13Å; F84-T88 HydrophobicContact CZ-CG2 3.86Å; F84-T88 WeakPolarHBondContact O-CG2 3.36Å; F84-T88 PolarHBondContact O-N 3.11Å; F84-T88 PolarHBondContact O-OG1 2.67Å; F84-T88 VanDerWaalsContact O-OG1 3.1Å; F84-C92 HydrophobicContact CE1-CB 3.64Å; F84-C92 HydrophobicContact CZ-CB 4.23Å; F84-P192 HydrophobicContact CZ-CB 4.14Å; F84-L194 HydrophobicContact CB-CD2 4.15Å; F84-L194 HydrophobicContact CD1-CB 3.53Å; F84-L194 HydrophobicContact CD1-CD2 4.08Å; F84-L194 HydrophobicContact CD1-CG 4.39Å; F84-L194 HydrophobicContact CD2-CB 4.32Å; F84-L194 HydrophobicContact CE1-CB 3.46Å; F84-L194 VanDerWaalsContact CE1-CB 3.46Å; F84-L194 HydrophobicContact CE2-CB 4.29Å; F84-L194 HydrophobicContact CG-CB 3.96Å; F84-L194 HydrophobicContact CG-CD2 4.21Å; F84-L194 HydrophobicContact CZ-CB 3.88Å; F84-M224 HydrophobicContact CB-SD 4.05Å; F84-M224 HydrophobicContact CD2-CB 3.72Å; F84-M224 HydrophobicContact CD2-CG 4.41Å; F84-M224 HydrophobicContact CD2-SD 3.82Å; F84-M224 HydrophobicContact CE2-CB 3.78Å; F84-M224 HydrophobicContact CG-SD 4.3Å; F84-L329 HydrophobicContact CD2-CD2 4.07Å; F84-L329 HydrophobicContact CE2-CD1 4.1Å; F84-L329 HydrophobicContact CE2-CD2 4.14Å; F84-I332 HydrophobicContact CB-CD1 4.29Å; F84-I332 HydrophobicContact CD2-CD1 4.33Å
85	L	98.8	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-38.5	177.6	-72.5	165.4	0	0	0	112.6	I81 T88 E89 C90 I94 L108 L113 P115	I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3.34Å; L85-T88 PolarHBondContact O-OG1 3.01Å; L85-E89 WeakPolarHBondContact O-CA 3.48Å; L85-E89 PolarHBondContact O-N 2.8Å; L85-C90 HydrophobicContact CD2-CB 4.46Å; L85-C90 PolarHBondContact O-N 2.77Å; L85-I94 HydrophobicContact CD1-CD1 4.32Å; L85-I94 HydrophobicContact CD2-CD1 4.12Å; L85-I94 HydrophobicContact CG-CD1 4.34Å; L85-L108 HydrophobicContact CD1-CD1 4.07Å; L85-L108 HydrophobicContact CD1-CD2 3.82Å; L85-L113 HydrophobicContact CD1-CB 4.25Å; L85-L113 WeakPolarHBondContact CD1-O 3.39Å; L85-P115 HydrophobicContact CD2-CB 4.01Å
86	R	98.6	Very high	98.8	Very high	155 Å²	155	33.2 Å²	33.2	59%	0.585	15%	0.154	S	C	*	.	H	α-helix	trans	-64.9	-45.1	174.3	-77.5	-172.7	-59.5	-110.9	1.5	112.2	K82 A83 F84 T88 E89	K82-R86 WeakPolarHBondContact O-CB 3.08Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.37Å; A83-R86 PolarHBondContact O-N 3.22Å; F84-R86 VanDerWaalsContact C-N 3.28Å; F84-R86 PolarHBondContact O-N 2.9Å; R86-T88 VanDerWaalsContact C-N 3.25Å; R86-T88 PolarHBondContact O-N 2.98Å; R86-E89 PolarHBondContact O-N 2.56Å
87	K	98.4	Very high	98.8	Very high	75 Å²	75	33.2 Å²	33.2	33%	0.326	15%	0.154	S	C	.	.	H	α-helix	trans	-67.6	-26.6	-179.3	-71	-63.5	-158.8	160	0	112.7	A83 F84 L327 L329 E331 I332	A83-K87 WeakPolarHBondContact O-CG 3.38Å; A83-K87 PolarHBondContact O-N 2.94Å; A83-K87 VanDerWaalsContact O-N 3.08Å; F84-K87 PolarHBondContact O-N 2.81Å; F84-K87 VanDerWaalsContact O-N 3.1Å; K87-L327 WeakPolarHBondContact CD-O 3.38Å; K87-L329 HydrophobicContact CB-CD2 3.98Å; K87-E331 IonicContact NZ-OE2 2.71Å; K87-E331 PolarHBondContact NZ-OE2 3.23Å; K87-I332 HydrophobicContact CG-CD1 4.19Å; K87-I332 HydrophobicContact CG-CG1 4.11Å
88	T	98.5	Very high	98.8	Very high	8 Å²	8	34 Å²	34	5%	0.049	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	1.4	179	63.4	0	0	0	0	113.6	F84 L85 R86 C90 H91 C92 P192 L327	F84-T88 HydrophobicContact CD1-CG2 4.32Å; F84-T88 HydrophobicContact CD2-CG2 4.47Å; F84-T88 HydrophobicContact CE1-CG2 3.98Å; F84-T88 HydrophobicContact CE2-CG2 4.13Å; F84-T88 HydrophobicContact CZ-CG2 3.86Å; F84-T88 WeakPolarHBondContact O-CG2 3.36Å; F84-T88 PolarHBondContact O-N 3.11Å; F84-T88 PolarHBondContact O-OG1 2.67Å; F84-T88 VanDerWaalsContact O-OG1 3.1Å; L85-T88 PolarHBondContact O-OG1 3.01Å; R86-T88 VanDerWaalsContact C-N 3.25Å; R86-T88 PolarHBondContact O-N 2.98Å; T88-C90 PolarHBondContact O-N 3.14Å; T88-H91 WeakPolarHBondContact O-CA 3.49Å; T88-H91 WeakPolarHBondContact O-CB 3.45Å; T88-H91 PolarHBondContact O-N 3.02Å; T88-C92 HydrophobicContact CG2-CB 4.03Å; T88-C92 PolarHBondContact OG1-SG 3.49Å; T88-P192 HydrophobicContact CG2-CB 3.95Å; T88-L327 HydrophobicContact CG2-CD1 4.28Å
89	E	98.4	Very high	98.8	Very high	173 Å²	173	33.5 Å²	33.5	81%	0.808	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.8	-174.2	-57.7	-178.7	-178.9	0	0	112.5	L85 R86 H91	L85-E89 WeakPolarHBondContact O-CA 3.48Å; L85-E89 PolarHBondContact O-N 2.8Å; R86-E89 PolarHBondContact O-N 2.56Å; E89-H91 PolarHBondContact O-N 3.38Å
90	C	98.6	Very high	98.7	Very high	29 Å²	29	31.2 Å²	31.2	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	3.8	-172.2	-58.5	0	0	0	0	115.3	L85 T88 C92 L114 P115 S116	L85-C90 HydrophobicContact CD2-CB 4.46Å; L85-C90 PolarHBondContact O-N 2.77Å; T88-C90 PolarHBondContact O-N 3.14Å; C90-C92 PolarHBondContact O-N 2.92Å; C90-L114 WeakPolarHBondContact CB-O 3.27Å; C90-P115 CarbonylContact O-C 3.6Å; C90-P115 WeakPolarHBondContact O-CA 3.44Å; C90-S116 PolarHBondContact O-N 3.04Å
91	H	98.7	Very high	98.7	Very high	117 Å²	117	32 Å²	32	54%	0.542	16%	0.156	S	C	.	.			trans	-80.6	64.4	173.3	-168.9	68.6	0	0	0	111.1	T88 E89 L191	T88-H91 WeakPolarHBondContact O-CA 3.49Å; T88-H91 WeakPolarHBondContact O-CB 3.45Å; T88-H91 PolarHBondContact O-N 3.02Å; E89-H91 PolarHBondContact O-N 3.38Å; H91-L191 WeakPolarHBondContact NE2-CD2 3.46Å
92	C	98.8	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-152.9	178	-174.2	64.9	0	0	0	0	111.8	F84 T88 C90 P115 S116 P192	F84-C92 HydrophobicContact CE1-CB 3.64Å; F84-C92 HydrophobicContact CZ-CB 4.23Å; T88-C92 HydrophobicContact CG2-CB 4.03Å; T88-C92 PolarHBondContact OG1-SG 3.49Å; C90-C92 PolarHBondContact O-N 2.92Å; C92-P115 WeakPolarHBondContact O-CB 3.44Å; C92-S116 WeakPolarHBondContact O-CA 3.45Å; C92-S116 WeakPolarHBondContact O-CB 3.46Å; C92-S116 PolarHBondContact O-N 3.06Å; C92-P192 CarbonylContact C-O 3.57Å; C92-P192 WeakPolarHBondContact CA-O 3.34Å; C92-P192 HydrophobicContact CB-CB 4.2Å; C92-P192 WeakPolarHBondContact CB-O 3.46Å
93	Q	98.9	Very high	98.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.9	168.7	-68.3	173.5	-152.4	0	0	110.9	K117 F119 N188 L191 P192 T193 L194	Q93-K117 WeakPolarHBondContact CA-O 3.14Å; Q93-F119 HydrophobicContact CB-CE2 4.31Å; Q93-F119 HydrophobicContact CG-CE2 4.07Å; Q93-N188 VanDerWaalsContact OE1-CB 3.28Å; Q93-N188 PolarHBondContact OE1-O 3.03Å; Q93-L191 HydrophobicContact CG-CB 4.3Å; Q93-L191 HydrophobicContact CG-CD1 4.06Å; Q93-P192 PolarHBondContact N-O 3.11Å; Q93-T193 HydrophobicContact CB-CG2 4.04Å; Q93-T193 WeakPolarHBondContact O-CA 3.01Å; Q93-L194 PolarHBondContact O-N 2.58Å
94	I	98.9	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.7	166.9	-60.5	-179.7	0	0	0	108.4	I81 L85 L108 P115 K117 Y118 F119 L194 I196	I81-I94 HydrophobicContact CG2-CD1 3.97Å; L85-I94 HydrophobicContact CD1-CD1 4.32Å; L85-I94 HydrophobicContact CD2-CD1 4.12Å; L85-I94 HydrophobicContact CG-CD1 4.34Å; I94-L108 HydrophobicContact CD1-CD1 4.11Å; I94-P115 HydrophobicContact CB-CG 4.4Å; I94-P115 HydrophobicContact CD1-CB 4.36Å; I94-P115 HydrophobicContact CD1-CG 3.99Å; I94-P115 HydrophobicContact CG1-CB 4.14Å; I94-P115 HydrophobicContact CG1-CG 4.01Å; I94-K117 PolarHBondContact N-O 3.09Å; I94-K117 VanDerWaalsContact N-O 3.17Å; I94-Y118 HydrophobicContact CB-CD2 3.7Å; I94-Y118 HydrophobicContact CB-CE2 3.81Å; I94-Y118 HydrophobicContact CB-CG 4.44Å; I94-Y118 HydrophobicContact CD1-CD2 4.1Å; I94-Y118 HydrophobicContact CD1-CE2 4.01Å; I94-Y118 HydrophobicContact CG1-CD2 4.38Å; I94-Y118 HydrophobicContact CG2-CD2 3.93Å; I94-Y118 HydrophobicContact CG2-CE2 3.49Å; I94-Y118 VanDerWaalsContact CG2-CE2 3.49Å; I94-F119 PolarHBondContact O-N 2.8Å; I94-L194 CarbonylContact C-O 3.52Å; I94-L194 VanDerWaalsContact CA-O 3.29Å; I94-L194 WeakPolarHBondContact CA-O 3.23Å; I94-L194 HydrophobicContact CD1-CD2 4.41Å; I94-L194 HydrophobicContact CG1-CB 4.31Å; I94-L194 HydrophobicContact CG1-CD2 4.36Å; I94-I196 HydrophobicContact CG2-CD1 3.69Å
95	I	98.9	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105.8	174.5	-51.2	177.5	0	0	0	108.4	L97 F119 V121 L182 M187 T193 L194 L195 I196 F220	I95-L97 HydrophobicContact CG2-CD2 3.7Å; I95-L97 HydrophobicContact CG2-CG 4.26Å; I95-F119 CarbonylContact C-O 3.57Å; I95-F119 WeakPolarHBondContact CA-O 3.41Å; I95-F119 HydrophobicContact CB-CB 4.42Å; I95-F119 HydrophobicContact CG1-CB 4.16Å; I95-F119 HydrophobicContact CG1-CD2 4.1Å; I95-F119 HydrophobicContact CG1-CG 4.41Å; I95-F119 HydrophobicContact CG2-CB 4.26Å; I95-V121 HydrophobicContact CG2-CG2 4.38Å; I95-L182 HydrophobicContact CG2-CD2 4.38Å; I95-M187 HydrophobicContact CD1-CG 4.36Å; I95-M187 HydrophobicContact CD1-SD 3.53Å; I95-M187 VanDerWaalsContact CD1-SD 3.53Å; I95-T193 HydrophobicContact CD1-CG2 3.73Å; I95-T193 HydrophobicContact CG1-CG2 3.88Å; I95-L194 PolarHBondContact N-O 3.33Å; I95-L195 HydrophobicContact CB-CD2 4.46Å; I95-L195 HydrophobicContact CB-CG 4.28Å; I95-L195 HydrophobicContact CD1-CD2 4.35Å; I95-L195 HydrophobicContact CD1-CG 4.49Å; I95-L195 CarbonylContact O-C 3.56Å; I95-L195 VanDerWaalsContact O-CA 3.3Å; I95-L195 WeakPolarHBondContact O-CA 3.44Å; I95-I196 PolarHBondContact O-N 2.72Å; I95-F220 HydrophobicContact CD1-CE2 4.31Å; I95-F220 HydrophobicContact CD1-CZ 3.82Å
96	N	98.9	Very high	98.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.8	174.4	-166.3	-1.6	0	0	0	109.7	A99 D102 Y118 F119 E120 V121	N96-A99 HydrophobicContact CB-CB 3.94Å; N96-D102 PolarHBondContact ND2-OD1 3.4Å; N96-Y118 HydrophobicContact CB-CE1 4.35Å; N96-F119 PolarHBondContact N-O 3.22Å; N96-E120 HydrophobicContact CB-CG 4.32Å; N96-E120 WeakPolarHBondContact O-CA 3.36Å; N96-V121 PolarHBondContact O-N 3Å
97	L	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.3	-177	-56.3	168.2	0	0	0	108.6	I95 V121 L172 L195 I196 V200 L212 F225	I95-L97 HydrophobicContact CG2-CD2 3.7Å; I95-L97 HydrophobicContact CG2-CG 4.26Å; L97-V121 HydrophobicContact CD2-CB 4.43Å; L97-V121 HydrophobicContact CD2-CG2 4.34Å; L97-L172 HydrophobicContact CB-CD1 4.04Å; L97-L172 HydrophobicContact CB-CD2 4.22Å; L97-L172 HydrophobicContact CD2-CD2 3.82Å; L97-L195 HydrophobicContact CD1-CB 4.41Å; L97-L195 HydrophobicContact CD1-CD2 4.16Å; L97-I196 WeakPolarHBondContact CB-O 3.28Å; L97-I196 PolarHBondContact N-O 3.03Å; L97-V200 WeakPolarHBondContact O-CG2 3.43Å; L97-L212 HydrophobicContact CD1-CD1 4.42Å; L97-L212 HydrophobicContact CD1-CD2 4.23Å; L97-L212 HydrophobicContact CD1-CG 4.45Å; L97-F225 HydrophobicContact CD1-CE2 4.07Å; L97-F225 HydrophobicContact CD1-CZ 4.22Å
98	G	98.7	Very high	98.8	Very high	22 Å²	22	21.4 Å²	21.4	23%	0.227	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	44	-171.6	0	0	0	0	0	111.7	G100 V121 D122	G98-G100 PolarHBondContact O-N 3.45Å; G98-V121 VanDerWaalsContact CA-O 3.28Å; G98-V121 WeakPolarHBondContact CA-O 3.29Å; G98-V121 PolarHBondContact N-O 2.66Å; G98-D122 VanDerWaalsContact C-OD2 3.26Å
99	A	98.7	Very high	98.8	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	12%	0.122	C	C	.	.			trans	-66.2	-21.2	-169.1	0	0	0	0	0	114.1	N96 M101 D102 E120 V121 D122	N96-A99 HydrophobicContact CB-CB 3.94Å; A99-M101 PolarHBondContact O-N 2.91Å; A99-D102 WeakPolarHBondContact O-CB 3.36Å; A99-D102 PolarHBondContact O-N 2.91Å; A99-E120 HydrophobicContact CB-CB 3.74Å; A99-E120 HydrophobicContact CB-CG 3.76Å; A99-V121 PolarHBondContact N-O 2.84Å; A99-V121 VanDerWaalsContact N-O 3.1Å; A99-D122 PolarHBondContact N-OD2 2.84Å
100	G	98.6	Very high	98.8	Very high	9 Å²	9	19.5 Å²	19.5	9%	0.093	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-132.8	-175.6	0	0	0	0	0	112.6	C30 G98 D102 D122 K130	C30-G100 WeakPolarHBondContact SG-CA 3.42Å; G98-G100 PolarHBondContact O-N 3.45Å; G100-D102 VanDerWaalsContact C-N 3.29Å; G100-D102 PolarHBondContact O-N 2.81Å; G100-D122 WeakPolarHBondContact CA-OD2 3.28Å; G100-D122 PolarHBondContact N-OD2 3.13Å; G100-K130 WeakPolarHBondContact O-CD 3.42Å; G100-K130 PolarHBondContact O-NZ 3.35Å
101	M	98.7	Very high	98.8	Very high	17 Å²	17	22.4 Å²	22.4	8%	0.084	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	29.7	175.5	-56.5	-61.1	132.9	0	0	113.1	S34 F54 A99 I126 R129 K130	S34-M101 WeakPolarHBondContact OG-CB 3.3Å; F54-M101 HydrophobicContact CB-CB 3.72Å; F54-M101 HydrophobicContact CB-CG 3.94Å; F54-M101 HydrophobicContact CB-SD 3.96Å; F54-M101 HydrophobicContact CD1-SD 3.86Å; F54-M101 HydrophobicContact CG-CB 4.14Å; F54-M101 HydrophobicContact CG-SD 4.19Å; A99-M101 PolarHBondContact O-N 2.91Å; M101-I126 HydrophobicContact CE-CG2 3.62Å; M101-R129 HydrophobicContact CE-CB 4.15Å; M101-K130 HydrophobicContact CE-CB 4.09Å; M101-K130 HydrophobicContact SD-CB 4.06Å; M101-K130 HydrophobicContact SD-CG 4.19Å
102	D	98.8	Very high	98.8	Very high	10 Å²	10	24 Å²	24	5%	0.053	13%	0.129	C	C	.	.			trans	-57.1	146.6	178	-174.9	-111.5	0	0	0	112.5	N96 A99 G100 T104 R107 Y118 K130	N96-D102 PolarHBondContact ND2-OD1 3.4Å; A99-D102 WeakPolarHBondContact O-CB 3.36Å; A99-D102 PolarHBondContact O-N 2.91Å; G100-D102 VanDerWaalsContact C-N 3.29Å; G100-D102 PolarHBondContact O-N 2.81Å; D102-T104 VanDerWaalsContact CG-OG1 3.27Å; D102-T104 WeakPolarHBondContact OD1-CB 3.38Å; D102-T104 PolarHBondContact OD1-N 3Å; D102-T104 PolarHBondContact OD1-OG1 3.48Å; D102-T104 PolarHBondContact OD2-OG1 3.48Å; D102-T104 VanDerWaalsContact OD2-OG1 3.11Å; D102-R107 IonicContact OD2-NH2 2.75Å; D102-Y118 PolarHBondContact OD1-OH 2.83Å; D102-K130 WeakPolarHBondContact O-CE 3.26Å; D102-K130 PolarHBondContact O-NZ 2.92Å
103	T	98.9	Very high	98.8	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.14	C	C	.	.			trans	-116.8	7	-172.3	57.1	0	0	0	0	112.9	D48 I51 F54 F105 W106 R107	D48-T103 WeakPolarHBondContact OD2-CB 3.43Å; D48-T103 PolarHBondContact OD2-OG1 2.97Å; I51-T103 HydrophobicContact CB-CG2 3.94Å; I51-T103 HydrophobicContact CG1-CG2 4.42Å; F54-T103 HydrophobicContact CD2-CG2 4.06Å; F54-T103 HydrophobicContact CE2-CG2 4.09Å; T103-F105 VanDerWaalsContact C-N 3.28Å; T103-F105 PolarHBondContact O-N 2.59Å; T103-W106 PolarHBondContact O-N 3.07Å; T103-R107 PolarHBondContact O-N 3.48Å; T103-R107 PolarHBondContact OG1-NE 2.79Å
104	T	98.9	Very high	98.8	Very high	10 Å²	10	26.9 Å²	26.9	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-35.6	-169	-58.8	0	0	0	0	112.3	I81 D102 W106 R107 L108 Y118	I81-T104 HydrophobicContact CD1-CG2 4.21Å; D102-T104 VanDerWaalsContact CG-OG1 3.27Å; D102-T104 WeakPolarHBondContact OD1-CB 3.38Å; D102-T104 PolarHBondContact OD1-N 3Å; D102-T104 PolarHBondContact OD1-OG1 3.48Å; D102-T104 PolarHBondContact OD2-OG1 3.48Å; D102-T104 VanDerWaalsContact OD2-OG1 3.11Å; T104-W106 PolarHBondContact O-N 3.17Å; T104-R107 PolarHBondContact O-N 3Å; T104-R107 PolarHBondContact OG1-NH2 3.02Å; T104-L108 HydrophobicContact CG2-CD1 3.68Å; T104-L108 HydrophobicContact CG2-CG 3.79Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.24Å; T104-L108 PolarHBondContact O-N 3.02Å; T104-Y118 WeakPolarHBondContact CB-OH 3.27Å; T104-Y118 HydrophobicContact CG2-CE2 4.2Å
105	F	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-52.8	-52.5	175.9	170.7	-100.5	0	0	0	112.5	T103 L108 K109 L114 Y118 I144 L147 Y165	T103-F105 VanDerWaalsContact C-N 3.28Å; T103-F105 PolarHBondContact O-N 2.59Å; F105-L108 PolarHBondContact O-N 3.21Å; F105-K109 PolarHBondContact O-N 3.3Å; F105-L114 HydrophobicContact CD2-CD2 3.74Å; F105-L114 HydrophobicContact CE2-CD2 3.58Å; F105-L114 HydrophobicContact CZ-CD2 4.4Å; F105-Y118 HydrophobicContact CB-CD1 4.16Å; F105-Y118 HydrophobicContact CB-CE1 4.39Å; F105-Y118 HydrophobicContact CB-CG 4.34Å; F105-Y118 HydrophobicContact CD2-CG 4.27Å; F105-I144 HydrophobicContact CD1-CG1 4.46Å; F105-I144 HydrophobicContact CE1-CG1 3.71Å; F105-I144 HydrophobicContact CZ-CG1 4.37Å; F105-L147 HydrophobicContact CZ-CD1 4.09Å; F105-Y165 HydrophobicContact CB-CD2 4Å; F105-Y165 HydrophobicContact CB-CE2 3.86Å; F105-Y165 HydrophobicContact CD1-CD1 4.32Å; F105-Y165 HydrophobicContact CD1-CD2 4.25Å; F105-Y165 HydrophobicContact CD1-CG 4.14Å; F105-Y165 AromaticContact CD2-CD2 3.74Å; F105-Y165 HydrophobicContact CD2-CD2 3.74Å; F105-Y165 HydrophobicContact CD2-CE2 4.47Å; F105-Y165 AromaticContact CD2-CG 3.99Å; F105-Y165 HydrophobicContact CD2-CG 3.99Å; F105-Y165 HydrophobicContact CE1-CD1 4.43Å; F105-Y165 HydrophobicContact CE1-CG 4.28Å; F105-Y165 HydrophobicContact CE2-CD2 4.31Å; F105-Y165 HydrophobicContact CE2-CG 4.13Å; F105-Y165 AromaticContact CG-CD2 3.7Å; F105-Y165 HydrophobicContact CG-CD2 3.7Å; F105-Y165 HydrophobicContact CG-CE2 4.03Å; F105-Y165 AromaticContact CG-CG 4Å; F105-Y165 HydrophobicContact CG-CG 4Å; F105-Y165 HydrophobicContact CZ-CG 4.26Å
106	W	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-40.7	-178.9	-60.6	-88.3	0	0	0	111.9	Y50 F54 T103 T104 L108 K109 D110 I134 L140 I144 Y165	Y50-W106 HydrophobicContact CD1-CB 3.76Å; Y50-W106 AromaticContact CD1-CG 3.92Å; Y50-W106 HydrophobicContact CD1-CG 3.92Å; Y50-W106 HydrophobicContact CD2-CB 3.5Å; Y50-W106 HydrophobicContact CD2-CG 4.43Å; Y50-W106 HydrophobicContact CE1-CB 3.69Å; Y50-W106 HydrophobicContact CE1-CG 4.05Å; Y50-W106 HydrophobicContact CE2-CB 3.42Å; Y50-W106 VanDerWaalsContact CE2-CB 3.42Å; Y50-W106 HydrophobicContact CG-CB 3.67Å; Y50-W106 HydrophobicContact CG-CG 4.12Å; F54-W106 HydrophobicContact CE1-CH2 4.5Å; F54-W106 HydrophobicContact CE2-CE3 4.43Å; F54-W106 AromaticContact CE2-CH2 3.99Å; F54-W106 HydrophobicContact CE2-CH2 3.99Å; F54-W106 AromaticContact CE2-CZ3 3.81Å; F54-W106 HydrophobicContact CE2-CZ3 3.81Å; F54-W106 AromaticContact CZ-CH2 3.44Å; F54-W106 HydrophobicContact CZ-CH2 3.44Å; F54-W106 VanDerWaalsContact CZ-CH2 3.44Å; F54-W106 HydrophobicContact CZ-CZ2 4.1Å; F54-W106 AromaticContact CZ-CZ3 3.75Å; F54-W106 HydrophobicContact CZ-CZ3 3.75Å; T103-W106 PolarHBondContact O-N 3.07Å; T104-W106 PolarHBondContact O-N 3.17Å; W106-L108 PolarHBondContact O-N 3.17Å; W106-K109 WeakPolarHBondContact O-CB 3.46Å; W106-K109 PolarHBondContact O-N 3.42Å; W106-K109 VanDerWaalsContact O-N 3.15Å; W106-D110 PolarHBondContact O-N 2.98Å; W106-I134 HydrophobicContact CH2-CD1 4.15Å; W106-I134 HydrophobicContact CH2-CG1 4.24Å; W106-I134 HydrophobicContact CZ2-CD1 4.21Å; W106-I134 HydrophobicContact CZ2-CG1 4.06Å; W106-L140 HydrophobicContact CD2-CD2 4.23Å; W106-L140 HydrophobicContact CZ2-CB 4.18Å; W106-L140 HydrophobicContact CZ2-CD2 4.02Å; W106-L140 PolarHBondContact NE1-O 2.77Å; W106-I144 HydrophobicContact CZ2-CD1 4.11Å; W106-Y165 HydrophobicContact CH2-CE1 4.23Å; W106-Y165 HydrophobicContact CZ2-CE1 4.29Å
107	R	98.8	Very high	98.7	Very high	30 Å²	30	29.5 Å²	29.5	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-39.7	176.6	-70	-173	-73.7	101.5	0.3	112.4	D48 Y50 D102 T103 T104 K109 D110 E111	D48-R107 IonicContact OD2-NE 2.64Å; Y50-R107 HydrophobicContact CD2-CG 4.04Å; Y50-R107 HydrophobicContact CE2-CG 4.28Å; D102-R107 IonicContact OD2-NH2 2.75Å; T103-R107 PolarHBondContact O-N 3.48Å; T103-R107 PolarHBondContact OG1-NE 2.79Å; T104-R107 PolarHBondContact O-N 3Å; T104-R107 PolarHBondContact OG1-NH2 3.02Å; R107-K109 VanDerWaalsContact C-N 3.32Å; R107-D110 PolarHBondContact O-N 2.78Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.45Å
108	L	98.8	Very high	98.7	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-33.4	174.2	-71	177.5	0	0	0	112.1	I81 L85 I94 T104 F105 W106 E111 D112 L113 L114 Y118	I81-L108 HydrophobicContact CG2-CD1 4.22Å; I81-L108 HydrophobicContact CG2-CD2 4.33Å; L85-L108 HydrophobicContact CD1-CD1 4.07Å; L85-L108 HydrophobicContact CD1-CD2 3.82Å; I94-L108 HydrophobicContact CD1-CD1 4.11Å; T104-L108 HydrophobicContact CG2-CD1 3.68Å; T104-L108 HydrophobicContact CG2-CG 3.79Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.24Å; T104-L108 PolarHBondContact O-N 3.02Å; F105-L108 PolarHBondContact O-N 3.21Å; W106-L108 PolarHBondContact O-N 3.17Å; L108-E111 PolarHBondContact O-N 2.68Å; L108-D112 PolarHBondContact O-N 3Å; L108-L113 HydrophobicContact CD2-CB 4.07Å; L108-L113 PolarHBondContact O-N 3.5Å; L108-L114 HydrophobicContact CB-CD2 4.37Å; L108-Y118 HydrophobicContact CD1-CD2 4.41Å; L108-Y118 HydrophobicContact CD1-CE2 4.17Å
109	K	98.7	Very high	98.7	Very high	49 Å²	49	28.5 Å²	28.5	21%	0.213	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-43.3	173	-173.5	177.9	-177.7	-72	0	112	F105 W106 R107 E111 D112 L114 P143 E146 L147	F105-K109 PolarHBondContact O-N 3.3Å; W106-K109 WeakPolarHBondContact O-CB 3.46Å; W106-K109 PolarHBondContact O-N 3.42Å; W106-K109 VanDerWaalsContact O-N 3.15Å; R107-K109 VanDerWaalsContact C-N 3.32Å; K109-E111 PolarHBondContact O-N 2.9Å; K109-D112 PolarHBondContact O-N 3.44Å; K109-D112 VanDerWaalsContact O-N 3.12Å; K109-L114 HydrophobicContact CB-CD1 3.81Å; K109-L114 HydrophobicContact CB-CD2 4.15Å; K109-L114 HydrophobicContact CB-CG 3.98Å; K109-L114 HydrophobicContact CD-CD1 4.26Å; K109-L114 HydrophobicContact CG-CD1 3.74Å; K109-L114 HydrophobicContact CG-CG 4.41Å; K109-P143 HydrophobicContact CD-CB 3.74Å; K109-P143 VanDerWaalsContact CE-O 3.3Å; K109-P143 WeakPolarHBondContact CE-O 3.44Å; K109-E146 WeakPolarHBondContact CE-OE2 3.15Å; K109-E146 IonicContact NZ-OE2 3.7Å; K109-E146 PolarHBondContact NZ-OE2 3.02Å; K109-L147 HydrophobicContact CD-CD1 3.89Å
110	D	98.6	Very high	98.8	Very high	92 Å²	92	28 Å²	28	49%	0.492	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-29.5	177.4	-68.5	-15.9	0	0	0	112.7	Y50 W106 R107	Y50-D110 WeakPolarHBondContact CE2-OD2 3.44Å; Y50-D110 VanDerWaalsContact CZ-OD2 3.24Å; Y50-D110 PolarHBondContact OH-OD1 3.03Å; Y50-D110 PolarHBondContact OH-OD2 3Å; W106-D110 PolarHBondContact O-N 2.98Å; R107-D110 PolarHBondContact O-N 2.78Å
111	E	98.6	Very high	98.8	Very high	90 Å²	90	27.6 Å²	27.6	42%	0.421	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.2	176.3	-66.3	-171	-145.3	0	0	113.9	K82 R107 L108 K109 L113	K82-E111 WeakPolarHBondContact CE-OE1 3.33Å; K82-E111 WeakPolarHBondContact CE-OE2 3.45Å; K82-E111 IonicContact NZ-OE1 3.19Å; K82-E111 PolarHBondContact NZ-OE1 2.6Å; K82-E111 IonicContact NZ-OE2 3.36Å; K82-E111 PolarHBondContact NZ-OE2 2.87Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.45Å; L108-E111 PolarHBondContact O-N 2.68Å; K109-E111 PolarHBondContact O-N 2.9Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 HydrophobicContact CB-CB 4.48Å; E111-L113 HydrophobicContact CB-CD1 4Å; E111-L113 HydrophobicContact CB-CG 4.13Å; E111-L113 PolarHBondContact O-N 3.07Å
112	D	98.5	Very high	98.8	Very high	149 Å²	149	27.7 Å²	27.7	80%	0.797	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	37	-174.3	-157.9	31.7	0	0	0	113.8	L108 K109	L108-D112 PolarHBondContact O-N 3Å; K109-D112 PolarHBondContact O-N 3.44Å; K109-D112 VanDerWaalsContact O-N 3.12Å
113	L	98.7	Very high	98.8	Very high	42 Å²	42	29 Å²	29	22%	0.22	15%	0.148	C	C	.	.			trans	-118.1	31.7	-176.1	-67.6	177.1	0	0	0	112.7	K82 L85 L108 E111	K82-L113 HydrophobicContact CG-CD1 4.19Å; L85-L113 HydrophobicContact CD1-CB 4.25Å; L85-L113 WeakPolarHBondContact CD1-O 3.39Å; L108-L113 HydrophobicContact CD2-CB 4.07Å; L108-L113 PolarHBondContact O-N 3.5Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 HydrophobicContact CB-CB 4.48Å; E111-L113 HydrophobicContact CB-CD1 4Å; E111-L113 HydrophobicContact CB-CG 4.13Å; E111-L113 PolarHBondContact O-N 3.07Å
114	L	98.6	Very high	98.7	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.12	16%	0.158	C	C	.	.			trans	-72	127.9	-176.2	-82.2	175	0	0	0	112.7	C90 F105 L108 K109 L147 R164	C90-L114 WeakPolarHBondContact CB-O 3.27Å; F105-L114 HydrophobicContact CD2-CD2 3.74Å; F105-L114 HydrophobicContact CE2-CD2 3.58Å; F105-L114 HydrophobicContact CZ-CD2 4.4Å; L108-L114 HydrophobicContact CB-CD2 4.37Å; K109-L114 HydrophobicContact CB-CD1 3.81Å; K109-L114 HydrophobicContact CB-CD2 4.15Å; K109-L114 HydrophobicContact CB-CG 3.98Å; K109-L114 HydrophobicContact CD-CD1 4.26Å; K109-L114 HydrophobicContact CG-CD1 3.74Å; K109-L114 HydrophobicContact CG-CG 4.41Å; L114-L147 HydrophobicContact CD1-CD1 3.34Å; L114-R164 PolarHBondContact O-NH2 2.9Å
115	P	98.7	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.173	C	C	.	.			trans	-66.8	166.8	171.2	31.8	-36.9	0	0	0	111.2	L85 C90 C92 I94 K117 Y118 R164	L85-P115 HydrophobicContact CD2-CB 4.01Å; C90-P115 CarbonylContact O-C 3.6Å; C90-P115 WeakPolarHBondContact O-CA 3.44Å; C92-P115 WeakPolarHBondContact O-CB 3.44Å; I94-P115 HydrophobicContact CB-CG 4.4Å; I94-P115 HydrophobicContact CD1-CB 4.36Å; I94-P115 HydrophobicContact CD1-CG 3.99Å; I94-P115 HydrophobicContact CG1-CB 4.14Å; I94-P115 HydrophobicContact CG1-CG 4.01Å; P115-K117 PolarHBondContact O-N 2.82Å; P115-Y118 HydrophobicContact CG-CD2 4.06Å; P115-R164 PolarHBondContact O-NE 3.38Å; P115-R164 PolarHBondContact O-NH2 3.09Å
116	S	98.7	Very high	98.6	Very high	38 Å²	38	33.6 Å²	33.6	27%	0.266	17%	0.173	S	C	.	.	S	Bend	trans	-49.2	-44.3	173.3	-60.9	0	0	0	0	112.1	C90 C92 R164	C90-S116 PolarHBondContact O-N 3.04Å; C92-S116 WeakPolarHBondContact O-CA 3.45Å; C92-S116 WeakPolarHBondContact O-CB 3.46Å; C92-S116 PolarHBondContact O-N 3.06Å; S116-R164 VanDerWaalsContact O-CD 3.3Å; S116-R164 WeakPolarHBondContact O-CD 3.45Å; S116-R164 PolarHBondContact O-NE 3.31Å
117	K	98.8	Very high	98.5	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	140	169.3	-168.2	160.9	177.9	171.9	0	111.6	Q93 I94 P115 F119 D161 S162 C185	Q93-K117 WeakPolarHBondContact CA-O 3.14Å; I94-K117 PolarHBondContact N-O 3.09Å; I94-K117 VanDerWaalsContact N-O 3.17Å; P115-K117 PolarHBondContact O-N 2.82Å; K117-F119 HydrophobicContact CB-CE2 3.73Å; K117-F119 HydrophobicContact CB-CZ 4.03Å; K117-F119 HydrophobicContact CD-CE1 3.92Å; K117-F119 HydrophobicContact CD-CE2 4.05Å; K117-F119 HydrophobicContact CD-CZ 3.46Å; K117-F119 VanDerWaalsContact CD-CZ 3.46Å; K117-F119 HydrophobicContact CG-CD2 4.27Å; K117-F119 HydrophobicContact CG-CE1 4.18Å; K117-F119 HydrophobicContact CG-CE2 3.64Å; K117-F119 HydrophobicContact CG-CZ 3.59Å; K117-D161 IonicContact NZ-OD1 2.74Å; K117-D161 PolarHBondContact NZ-OD1 3.16Å; K117-S162 VanDerWaalsContact CE-O 3.23Å; K117-S162 WeakPolarHBondContact CE-O 3.35Å; K117-S162 PolarHBondContact NZ-O 3.29Å; K117-C185 WeakPolarHBondContact CE-O 3.44Å; K117-C185 PolarHBondContact NZ-O 3.46Å
118	Y	98.9	Very high	98.5	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.4	177.3	-164.5	-77.9	0	0	0	109.8	I94 N96 D102 T104 F105 L108 P115 E120 R164 Y165 A166	I94-Y118 HydrophobicContact CB-CD2 3.7Å; I94-Y118 HydrophobicContact CB-CE2 3.81Å; I94-Y118 HydrophobicContact CB-CG 4.44Å; I94-Y118 HydrophobicContact CD1-CD2 4.1Å; I94-Y118 HydrophobicContact CD1-CE2 4.01Å; I94-Y118 HydrophobicContact CG1-CD2 4.38Å; I94-Y118 HydrophobicContact CG2-CD2 3.93Å; I94-Y118 HydrophobicContact CG2-CE2 3.49Å; I94-Y118 VanDerWaalsContact CG2-CE2 3.49Å; N96-Y118 HydrophobicContact CB-CE1 4.35Å; D102-Y118 PolarHBondContact OD1-OH 2.83Å; T104-Y118 WeakPolarHBondContact CB-OH 3.27Å; T104-Y118 HydrophobicContact CG2-CE2 4.2Å; F105-Y118 HydrophobicContact CB-CD1 4.16Å; F105-Y118 HydrophobicContact CB-CE1 4.39Å; F105-Y118 HydrophobicContact CB-CG 4.34Å; F105-Y118 HydrophobicContact CD2-CG 4.27Å; L108-Y118 HydrophobicContact CD1-CD2 4.41Å; L108-Y118 HydrophobicContact CD1-CE2 4.17Å; P115-Y118 HydrophobicContact CG-CD2 4.06Å; Y118-E120 HydrophobicContact CD1-CG 4Å; Y118-E120 HydrophobicContact CE1-CG 3.56Å; Y118-R164 PolarHBondContact N-O 2.94Å; Y118-Y165 AromaticContact CD1-CD2 3.88Å; Y118-Y165 HydrophobicContact CD1-CD2 3.88Å; Y118-Y165 AromaticContact CD1-CE2 3.83Å; Y118-Y165 HydrophobicContact CD1-CE2 3.83Å; Y118-Y165 HydrophobicContact CE1-CE2 4.4Å; Y118-Y165 HydrophobicContact CG-CD2 4.44Å; Y118-Y165 CarbonylContact O-C 3.52Å; Y118-Y165 VanDerWaalsContact O-CA 3.27Å; Y118-Y165 WeakPolarHBondContact O-CA 3.4Å; Y118-A166 PolarHBondContact O-N 2.7Å
119	F	98.9	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139	-179.8	-58.7	-96.3	0	0	0	109.6	Q93 I94 I95 N96 K117 A166 I168 L182 C185 M187	Q93-F119 HydrophobicContact CB-CE2 4.31Å; Q93-F119 HydrophobicContact CG-CE2 4.07Å; I94-F119 PolarHBondContact O-N 2.8Å; I95-F119 CarbonylContact C-O 3.57Å; I95-F119 WeakPolarHBondContact CA-O 3.41Å; I95-F119 HydrophobicContact CB-CB 4.42Å; I95-F119 HydrophobicContact CG1-CB 4.16Å; I95-F119 HydrophobicContact CG1-CD2 4.1Å; I95-F119 HydrophobicContact CG1-CG 4.41Å; I95-F119 HydrophobicContact CG2-CB 4.26Å; N96-F119 PolarHBondContact N-O 3.22Å; K117-F119 HydrophobicContact CB-CE2 3.73Å; K117-F119 HydrophobicContact CB-CZ 4.03Å; K117-F119 HydrophobicContact CD-CE1 3.92Å; K117-F119 HydrophobicContact CD-CE2 4.05Å; K117-F119 HydrophobicContact CD-CZ 3.46Å; K117-F119 VanDerWaalsContact CD-CZ 3.46Å; K117-F119 HydrophobicContact CG-CD2 4.27Å; K117-F119 HydrophobicContact CG-CE1 4.18Å; K117-F119 HydrophobicContact CG-CE2 3.64Å; K117-F119 HydrophobicContact CG-CZ 3.59Å; F119-A166 CarbonylContact C-O 3.54Å; F119-A166 WeakPolarHBondContact CA-O 3.26Å; F119-A166 HydrophobicContact CD1-CB 3.86Å; F119-A166 HydrophobicContact CE1-CB 4.29Å; F119-I168 HydrophobicContact CD1-CD1 4.32Å; F119-L182 HydrophobicContact CB-CD2 4.13Å; F119-L182 HydrophobicContact CD1-CD2 3.89Å; F119-L182 HydrophobicContact CG-CD2 4.14Å; F119-C185 HydrophobicContact CD1-CB 4.44Å; F119-C185 HydrophobicContact CE1-CB 4.02Å; F119-C185 WeakPolarHBondContact CE1-O 3.4Å; F119-M187 HydrophobicContact CE1-CB 4.09Å; F119-M187 HydrophobicContact CE2-CG 4.41Å; F119-M187 HydrophobicContact CZ-CB 3.89Å; F119-M187 HydrophobicContact CZ-CG 4.26Å
120	E	98.9	Very high	98.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138	169.3	-68.4	-173.3	153.1	0	0	109.9	N96 A99 Y118 K130 Y165 A166 V167 I168	N96-E120 HydrophobicContact CB-CG 4.32Å; N96-E120 WeakPolarHBondContact O-CA 3.36Å; A99-E120 HydrophobicContact CB-CB 3.74Å; A99-E120 HydrophobicContact CB-CG 3.76Å; Y118-E120 HydrophobicContact CD1-CG 4Å; Y118-E120 HydrophobicContact CE1-CG 3.56Å; E120-K130 IonicContact OE1-NZ 2.86Å; E120-K130 PolarHBondContact OE1-NZ 2.83Å; E120-K130 VanDerWaalsContact OE2-CE 3.24Å; E120-K130 WeakPolarHBondContact OE2-CE 3.49Å; E120-K130 IonicContact OE2-NZ 3.65Å; E120-K130 PolarHBondContact OE2-NZ 3Å; E120-Y165 VanDerWaalsContact CD-OH 3.25Å; E120-Y165 HydrophobicContact CG-CE2 3.96Å; E120-Y165 PolarHBondContact OE2-OH 3.24Å; E120-A166 PolarHBondContact N-O 2.87Å; E120-V167 HydrophobicContact CB-CG1 4.37Å; E120-V167 HydrophobicContact CB-CG2 4.5Å; E120-V167 CarbonylContact O-C 3.55Å; E120-V167 WeakPolarHBondContact O-CA 3.5Å; E120-I168 PolarHBondContact O-N 3.29Å
121	V	98.9	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.2	177	-173.6	0	0	0	0	108.8	I95 N96 L97 G98 A99 I168 A170 L172 L178 L182	I95-V121 HydrophobicContact CG2-CG2 4.38Å; N96-V121 PolarHBondContact O-N 3Å; L97-V121 HydrophobicContact CD2-CB 4.43Å; L97-V121 HydrophobicContact CD2-CG2 4.34Å; G98-V121 VanDerWaalsContact CA-O 3.28Å; G98-V121 WeakPolarHBondContact CA-O 3.29Å; G98-V121 PolarHBondContact N-O 2.66Å; A99-V121 PolarHBondContact N-O 2.84Å; A99-V121 VanDerWaalsContact N-O 3.1Å; V121-I168 WeakPolarHBondContact CA-O 3.49Å; V121-I168 HydrophobicContact CG2-CB 4.41Å; V121-A170 HydrophobicContact CG1-CB 4.03Å; V121-L172 HydrophobicContact CB-CD2 4.24Å; V121-L172 HydrophobicContact CG1-CD2 3.71Å; V121-L178 HydrophobicContact CB-CD1 4.37Å; V121-L178 HydrophobicContact CG1-CD1 3.72Å; V121-L178 HydrophobicContact CG2-CD1 3.94Å; V121-L182 HydrophobicContact CG2-CD2 4.27Å
122	D	98.8	Very high	98.4	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.102	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	176.3	170.6	-148.5	-65.3	0	0	0	109.7	G98 A99 G100 I126 V127 I168 G169 A170	G98-D122 VanDerWaalsContact C-OD2 3.26Å; A99-D122 PolarHBondContact N-OD2 2.84Å; G100-D122 WeakPolarHBondContact CA-OD2 3.28Å; G100-D122 PolarHBondContact N-OD2 3.13Å; D122-I126 HydrophobicContact CB-CB 4.1Å; D122-I126 HydrophobicContact CB-CG2 4.05Å; D122-I126 VanDerWaalsContact OD1-CB 3.28Å; D122-I126 WeakPolarHBondContact OD1-CB 3.43Å; D122-I126 VanDerWaalsContact OD1-CG1 3.29Å; D122-I126 WeakPolarHBondContact OD1-CG1 3.49Å; D122-V127 HydrophobicContact CB-CG2 3.95Å; D122-I168 PolarHBondContact N-O 3.38Å; D122-I168 VanDerWaalsContact N-O 3.15Å; D122-G169 CarbonylContact O-C 3.51Å; D122-G169 VanDerWaalsContact O-CA 3.26Å; D122-G169 WeakPolarHBondContact O-CA 3.43Å; D122-A170 CarbonylContact C-O 3.53Å; D122-A170 PolarHBondContact O-N 3.37Å; D122-A170 VanDerWaalsContact O-O 3.07Å
123	F	98.2	Very high	98.3	Very high	36 Å²	36	30.4 Å²	30.4	16%	0.158	15%	0.153	C	C	.	.			trans	-56.1	144.4	172.6	-79.4	-67.8	0	0	0	111.3	V26 R27 M125 I126 V127 D171	V26-F123 HydrophobicContact CG1-CE2 4.38Å; R27-F123 HydrophobicContact CG-CB 4.34Å; R27-F123 HydrophobicContact CG-CD2 3.74Å; R27-F123 HydrophobicContact CG-CE2 4.32Å; R27-F123 HydrophobicContact CG-CG 4.2Å; F123-M125 PolarHBondContact O-N 3.45Å; F123-I126 HydrophobicContact CB-CG1 4.34Å; F123-I126 PolarHBondContact O-N 3.18Å; F123-V127 PolarHBondContact O-N 3.49Å; F123-D171 HydrophobicContact CE1-CB 4.13Å
124	P	97.8	Very high	98.3	Very high	37 Å²	37	28.4 Å²	28.4	24%	0.24	14%	0.143	C	C	.	.	H	α-helix	trans	-48.2	-37.2	177.7	-32.7	37.3	0	0	0	114.8	T128 H158	P124-T128 WeakPolarHBondContact O-CB 3.29Å; P124-T128 PolarHBondContact O-N 3Å; P124-T128 PolarHBondContact O-OG1 3.33Å; P124-H158 HydrophobicContact CB-CB 4.17Å
125	M	96.9	Very high	98.2	Very high	73 Å²	73	34.7 Å²	34.7	36%	0.36	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-44.2	176.8	-173.2	-173.4	84.4	0	0	112.5	R27 F123 R129	R27-M125 HydrophobicContact CB-CE 3.6Å; R27-M125 HydrophobicContact CG-CE 4.07Å; F123-M125 PolarHBondContact O-N 3.45Å; M125-R129 WeakPolarHBondContact O-CG 3.33Å; M125-R129 PolarHBondContact O-N 3.23Å
126	I	98.1	Very high	98.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-70.1	-44.1	-179.2	-59.3	-56.4	0	0	0	109.8	R27 C30 M101 D122 F123 T128 R129 K130	R27-I126 HydrophobicContact CB-CD1 4.27Å; R27-I126 HydrophobicContact CG-CG1 4.46Å; C30-I126 HydrophobicContact CB-CD1 4.02Å; M101-I126 HydrophobicContact CE-CG2 3.62Å; D122-I126 HydrophobicContact CB-CB 4.1Å; D122-I126 HydrophobicContact CB-CG2 4.05Å; D122-I126 VanDerWaalsContact OD1-CB 3.28Å; D122-I126 WeakPolarHBondContact OD1-CB 3.43Å; D122-I126 VanDerWaalsContact OD1-CG1 3.29Å; D122-I126 WeakPolarHBondContact OD1-CG1 3.49Å; F123-I126 HydrophobicContact CB-CG1 4.34Å; F123-I126 PolarHBondContact O-N 3.18Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.23Å; I126-R129 WeakPolarHBondContact O-CB 3.35Å; I126-R129 PolarHBondContact O-N 2.93Å; I126-K130 PolarHBondContact O-N 2.97Å
127	V	98.5	Very high	98.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-46.6	174.9	172.5	0	0	0	0	110.9	D122 F123 R129 K130 L131 H158 V167	D122-V127 HydrophobicContact CB-CG2 3.95Å; F123-V127 PolarHBondContact O-N 3.49Å; V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 2.98Å; V127-K130 PolarHBondContact O-N 3.21Å; V127-L131 HydrophobicContact CG1-CD1 3.93Å; V127-L131 HydrophobicContact CG1-CD2 4.22Å; V127-L131 HydrophobicContact CG1-CG 3.76Å; V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.42Å; V127-L131 PolarHBondContact O-N 2.91Å; V127-H158 WeakPolarHBondContact CG1-O 3.46Å; V127-V167 HydrophobicContact CB-CG1 4.35Å; V127-V167 HydrophobicContact CG1-CG1 3.75Å; V127-V167 HydrophobicContact CG2-CG1 3.97Å
128	T	97.8	Very high	98	Very high	63 Å²	63	43.6 Å²	43.6	39%	0.387	22%	0.219	S	C	.	.	H	α-helix	trans	-54.8	-41.6	177.6	-58.6	0	0	0	0	112.4	P124 I126 H132 H158	P124-T128 WeakPolarHBondContact O-CB 3.29Å; P124-T128 PolarHBondContact O-N 3Å; P124-T128 PolarHBondContact O-OG1 3.33Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.23Å; T128-H132 WeakPolarHBondContact O-CB 3.24Å; T128-H132 PolarHBondContact O-N 2.64Å; T128-H158 PolarHBondContact OG1-ND1 2.95Å; T128-H158 VanDerWaalsContact OG1-ND1 3.07Å
129	R	97.7	Very high	98	Very high	126 Å²	126	46.6 Å²	46.6	48%	0.475	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-42.9	175.7	-67.3	175	-179.7	-177.9	0.3	112.3	M101 M125 I126 V127 H132 S133	M101-R129 HydrophobicContact CE-CB 4.15Å; M125-R129 WeakPolarHBondContact O-CG 3.33Å; M125-R129 PolarHBondContact O-N 3.23Å; I126-R129 WeakPolarHBondContact O-CB 3.35Å; I126-R129 PolarHBondContact O-N 2.93Å; V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 2.98Å; R129-H132 PolarHBondContact O-N 3.11Å; R129-S133 PolarHBondContact O-N 3.06Å; R129-S133 VanDerWaalsContact O-N 3.17Å; R129-S133 PolarHBondContact O-OG 2.9Å; R129-S133 VanDerWaalsContact O-OG 3.07Å
130	K	98.6	Very high	98	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-46.6	178.2	-163	174.2	-162.2	161.5	0	111.2	F54 G100 M101 D102 E120 I126 V127 H132 S133 I134 V167	F54-K130 HydrophobicContact CD1-CG 4.11Å; F54-K130 HydrophobicContact CE1-CG 3.61Å; F54-K130 HydrophobicContact CZ-CG 4.34Å; G100-K130 WeakPolarHBondContact O-CD 3.42Å; G100-K130 PolarHBondContact O-NZ 3.35Å; M101-K130 HydrophobicContact CE-CB 4.09Å; M101-K130 HydrophobicContact SD-CB 4.06Å; M101-K130 HydrophobicContact SD-CG 4.19Å; D102-K130 WeakPolarHBondContact O-CE 3.26Å; D102-K130 PolarHBondContact O-NZ 2.92Å; E120-K130 IonicContact OE1-NZ 2.86Å; E120-K130 PolarHBondContact OE1-NZ 2.83Å; E120-K130 VanDerWaalsContact OE2-CE 3.24Å; E120-K130 WeakPolarHBondContact OE2-CE 3.49Å; E120-K130 IonicContact OE2-NZ 3.65Å; E120-K130 PolarHBondContact OE2-NZ 3Å; I126-K130 PolarHBondContact O-N 2.97Å; V127-K130 PolarHBondContact O-N 3.21Å; K130-H132 PolarHBondContact O-N 3.19Å; K130-S133 WeakPolarHBondContact O-CB 3.29Å; K130-S133 PolarHBondContact O-N 3.24Å; K130-S133 VanDerWaalsContact O-N 3.13Å; K130-I134 HydrophobicContact CG-CD1 4.14Å; K130-I134 WeakPolarHBondContact O-CG1 3.1Å; K130-I134 PolarHBondContact O-N 3.36Å; K130-V167 HydrophobicContact CD-CG1 4.42Å
131	L	98.3	Very high	98	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-46.9	176	-68	-159.5	0	0	0	111.3	V127 S133 I134 K135 M155 L160 V167	V127-L131 HydrophobicContact CG1-CD1 3.93Å; V127-L131 HydrophobicContact CG1-CD2 4.22Å; V127-L131 HydrophobicContact CG1-CG 3.76Å; V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.42Å; V127-L131 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 2.84Å; L131-I134 HydrophobicContact CD2-CD1 4.4Å; L131-I134 PolarHBondContact O-N 3.39Å; L131-K135 WeakPolarHBondContact O-CB 3.35Å; L131-K135 PolarHBondContact O-N 3.3Å; L131-M155 HydrophobicContact CB-CE 3.41Å; L131-M155 VanDerWaalsContact CB-CE 3.41Å; L131-M155 HydrophobicContact CD1-CB 4.47Å; L131-M155 HydrophobicContact CD1-CE 4.13Å; L131-M155 HydrophobicContact CD2-CE 3.68Å; L131-M155 HydrophobicContact CG-CE 3.87Å; L131-M155 VanDerWaalsContact O-CE 3.3Å; L131-M155 WeakPolarHBondContact O-CE 3.23Å; L131-L160 HydrophobicContact CD1-CB 4.34Å; L131-L160 HydrophobicContact CD2-CB 3.51Å; L131-L160 HydrophobicContact CD2-CD1 4.12Å; L131-L160 HydrophobicContact CD2-CG 4.47Å; L131-V167 HydrophobicContact CD2-CB 3.94Å; L131-V167 HydrophobicContact CD2-CG1 4.15Å; L131-V167 HydrophobicContact CD2-CG2 4.35Å
132	H	97.3	Very high	97.9	Very high	122 Å²	122	49.8 Å²	49.8	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-55	-45.6	175.2	178.7	75	0	0	0	112	T128 R129 K130 K135 C136	T128-H132 WeakPolarHBondContact O-CB 3.24Å; T128-H132 PolarHBondContact O-N 2.64Å; R129-H132 PolarHBondContact O-N 3.11Å; K130-H132 PolarHBondContact O-N 3.19Å; H132-K135 PolarHBondContact O-N 3.4Å; H132-C136 PolarHBondContact CE1-SG 2.97Å; H132-C136 WeakPolarHBondContact O-CB 3.33Å; H132-C136 PolarHBondContact O-N 2.84Å; H132-C136 PolarHBondContact O-SG 3.48Å; H132-C136 VanDerWaalsContact O-SG 3.38Å
133	S	98.1	Very high	97.9	Very high	18 Å²	18	49.6 Å²	49.6	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-45.9	178.4	-56	0	0	0	0	112	R129 K130 L131 K135 C136 K137	R129-S133 PolarHBondContact O-N 3.06Å; R129-S133 VanDerWaalsContact O-N 3.17Å; R129-S133 PolarHBondContact O-OG 2.9Å; R129-S133 VanDerWaalsContact O-OG 3.07Å; K130-S133 WeakPolarHBondContact O-CB 3.29Å; K130-S133 PolarHBondContact O-N 3.24Å; K130-S133 VanDerWaalsContact O-N 3.13Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 2.84Å; S133-K135 VanDerWaalsContact C-N 3.35Å; S133-K135 PolarHBondContact O-N 3.07Å; S133-C136 PolarHBondContact O-N 3.02Å; S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 VanDerWaalsContact O-CG 3.26Å; S133-K137 WeakPolarHBondContact O-CG 3.24Å; S133-K137 PolarHBondContact O-N 3.39Å; S133-K137 VanDerWaalsContact O-N 3.12Å
134	I	98.3	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-48.1	176.4	-67.6	166.5	0	0	0	110.4	F54 W106 K130 L131 C136 K137 L140 S141 I144 L153 M155 L160 Y165	F54-I134 HydrophobicContact CE1-CG1 4.15Å; F54-I134 HydrophobicContact CZ-CG1 4.27Å; W106-I134 HydrophobicContact CH2-CD1 4.15Å; W106-I134 HydrophobicContact CH2-CG1 4.24Å; W106-I134 HydrophobicContact CZ2-CD1 4.21Å; W106-I134 HydrophobicContact CZ2-CG1 4.06Å; K130-I134 HydrophobicContact CG-CD1 4.14Å; K130-I134 WeakPolarHBondContact O-CG1 3.1Å; K130-I134 PolarHBondContact O-N 3.36Å; L131-I134 HydrophobicContact CD2-CD1 4.4Å; L131-I134 PolarHBondContact O-N 3.39Å; I134-C136 PolarHBondContact O-N 3.42Å; I134-K137 PolarHBondContact O-N 2.91Å; I134-L140 HydrophobicContact CG1-CB 4.35Å; I134-L140 HydrophobicContact CG1-CD1 4.35Å; I134-S141 WeakPolarHBondContact O-CB 3.4Å; I134-I144 HydrophobicContact CG2-CD1 3.76Å; I134-L153 HydrophobicContact CG2-CD1 4.45Å; I134-M155 HydrophobicContact CB-CE 4.47Å; I134-L160 HydrophobicContact CG2-CD1 4.19Å; I134-Y165 HydrophobicContact CD1-CE1 4.19Å
135	K	96.2	Very high	97.9	Very high	155 Å²	155	48.8 Å²	48.8	67%	0.674	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-40.6	-178.6	-171.1	174.2	-176.4	172.4	0	112.6	L131 H132 S133 M155	L131-K135 WeakPolarHBondContact O-CB 3.35Å; L131-K135 PolarHBondContact O-N 3.3Å; H132-K135 PolarHBondContact O-N 3.4Å; S133-K135 VanDerWaalsContact C-N 3.35Å; S133-K135 PolarHBondContact O-N 3.07Å; K135-M155 HydrophobicContact CB-CE 4.34Å; K135-M155 HydrophobicContact CB-SD 3.91Å; K135-M155 HydrophobicContact CD-SD 4.03Å; K135-M155 HydrophobicContact CG-SD 4.2Å
136	C	96.9	Very high	97.9	Very high	67 Å²	67	51.6 Å²	51.6	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-84.1	-12.6	-174.4	-71.2	0	0	0	0	114.4	H132 S133 I134	H132-C136 PolarHBondContact CE1-SG 2.97Å; H132-C136 WeakPolarHBondContact O-CB 3.33Å; H132-C136 PolarHBondContact O-N 2.84Å; H132-C136 PolarHBondContact O-SG 3.48Å; H132-C136 VanDerWaalsContact O-SG 3.38Å; S133-C136 PolarHBondContact O-N 3.02Å; I134-C136 PolarHBondContact O-N 3.42Å
137	K	98	Very high	97.8	Very high	96 Å²	96	53.5 Å²	53.5	42%	0.417	28%	0.278	S	S	.	.			trans	-123.2	104.3	-172.7	-56.3	-62.7	178.6	-175.5	0	110.4	H53 S133 I134 P139 L140 S141	H53-K137 HydrophobicContact CB-CG 4.37Å; S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 VanDerWaalsContact O-CG 3.26Å; S133-K137 WeakPolarHBondContact O-CG 3.24Å; S133-K137 PolarHBondContact O-N 3.39Å; S133-K137 VanDerWaalsContact O-N 3.12Å; I134-K137 PolarHBondContact O-N 2.91Å; K137-P139 VanDerWaalsContact C-N 3.28Å; K137-L140 HydrophobicContact CB-CD1 4.14Å; K137-L140 HydrophobicContact CB-CG 4.21Å; K137-L140 WeakPolarHBondContact O-CB 3.3Å; K137-L140 PolarHBondContact O-N 3.44Å; K137-S141 PolarHBondContact O-N 3.35Å; K137-S141 PolarHBondContact O-OG 3.1Å
138	P	98	Very high	97.7	Very high	82 Å²	82	55.2 Å²	55.2	53%	0.532	29%	0.286	S	S	.	.	H	α-helix	trans	-50.3	-37.6	176.2	-27	34.5	0	0	0	115.1	L140 S141 S142	P138-L140 PolarHBondContact O-N 3.22Å; P138-S141 WeakPolarHBondContact CA-OG 3.5Å; P138-S141 PolarHBondContact O-N 3.37Å; P138-S142 VanDerWaalsContact O-CB 3.3Å; P138-S142 WeakPolarHBondContact O-CB 3.28Å; P138-S142 PolarHBondContact O-N 2.92Å; P138-S142 PolarHBondContact O-OG 2.96Å
139	P	98.5	Very high	97.2	Very high	64 Å²	64	56 Å²	56	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-20.2	174.6	-27.3	36.6	0	0	0	115	K137 P143	K137-P139 VanDerWaalsContact C-N 3.28Å; P139-P143 WeakPolarHBondContact O-CD 3.4Å; P139-P143 WeakPolarHBondContact O-CG 3.39Å
140	L	98.6	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-96.4	-42.4	175.8	-62.5	-180	0	0	0	112.5	Y50 H53 F54 W106 I134 K137 P138 I144	Y50-L140 HydrophobicContact CD1-CD2 4.11Å; H53-L140 HydrophobicContact CB-CD1 3.63Å; H53-L140 HydrophobicContact CB-CD2 4.26Å; H53-L140 HydrophobicContact CB-CG 4.02Å; F54-L140 HydrophobicContact CD1-CD1 4.35Å; F54-L140 HydrophobicContact CE1-CD1 3.61Å; F54-L140 HydrophobicContact CE2-CD1 3.92Å; F54-L140 HydrophobicContact CE2-CD2 3.74Å; F54-L140 HydrophobicContact CZ-CD1 3.35Å; F54-L140 HydrophobicContact CZ-CD2 3.78Å; F54-L140 HydrophobicContact CZ-CG 4.17Å; W106-L140 HydrophobicContact CD2-CD2 4.23Å; W106-L140 HydrophobicContact CZ2-CB 4.18Å; W106-L140 HydrophobicContact CZ2-CD2 4.02Å; W106-L140 PolarHBondContact NE1-O 2.77Å; I134-L140 HydrophobicContact CG1-CB 4.35Å; I134-L140 HydrophobicContact CG1-CD1 4.35Å; K137-L140 HydrophobicContact CB-CD1 4.14Å; K137-L140 HydrophobicContact CB-CG 4.21Å; K137-L140 WeakPolarHBondContact O-CB 3.3Å; K137-L140 PolarHBondContact O-N 3.44Å; P138-L140 PolarHBondContact O-N 3.22Å; L140-I144 WeakPolarHBondContact O-CD1 3.47Å; L140-I144 WeakPolarHBondContact O-CG1 3.14Å
141	S	98	Very high	96.2	Very high	19 Å²	19	63.1 Å²	63.1	13%	0.133	34%	0.338	C	S	.	.	H	α-helix	trans	-80.1	-38.3	-175.7	52.3	0	0	0	0	114	I134 K137 P138 I144 L145	I134-S141 WeakPolarHBondContact O-CB 3.4Å; K137-S141 PolarHBondContact O-N 3.35Å; K137-S141 PolarHBondContact O-OG 3.1Å; P138-S141 WeakPolarHBondContact CA-OG 3.5Å; P138-S141 PolarHBondContact O-N 3.37Å; S141-I144 PolarHBondContact O-N 2.97Å; S141-I144 VanDerWaalsContact O-N 3.13Å; S141-L145 PolarHBondContact O-N 2.58Å
142	S	97.8	Very high	95.7	Very high	51 Å²	51	66.7 Å²	66.7	36%	0.357	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-46	-178.5	-64.2	0	0	0	0	112.9	P138 I144 L145 E146	P138-S142 VanDerWaalsContact O-CB 3.3Å; P138-S142 WeakPolarHBondContact O-CB 3.28Å; P138-S142 PolarHBondContact O-N 2.92Å; P138-S142 PolarHBondContact O-OG 2.96Å; S142-I144 PolarHBondContact O-N 3.38Å; S142-L145 PolarHBondContact O-N 3.15Å; S142-L145 VanDerWaalsContact O-N 3.14Å; S142-E146 WeakPolarHBondContact O-CG 3.19Å; S142-E146 PolarHBondContact O-N 3.01Å
143	P	98.4	Very high	95.3	Very high	15 Å²	15	62.5 Å²	62.5	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-26.2	177.7	-23.5	35	0	0	0	114.4	K109 P139	K109-P143 HydrophobicContact CD-CB 3.74Å; K109-P143 VanDerWaalsContact CE-O 3.3Å; K109-P143 WeakPolarHBondContact CE-O 3.44Å; P139-P143 WeakPolarHBondContact O-CD 3.4Å; P139-P143 WeakPolarHBondContact O-CG 3.39Å
144	I	98.4	Very high	94.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-76.5	-45.4	175.2	-55.8	164.4	0	0	0	109.6	F105 W106 I134 L140 S141 S142 L147 H148 L153 S162 Y165	F105-I144 HydrophobicContact CD1-CG1 4.46Å; F105-I144 HydrophobicContact CE1-CG1 3.71Å; F105-I144 HydrophobicContact CZ-CG1 4.37Å; W106-I144 HydrophobicContact CZ2-CD1 4.11Å; I134-I144 HydrophobicContact CG2-CD1 3.76Å; L140-I144 WeakPolarHBondContact O-CD1 3.47Å; L140-I144 WeakPolarHBondContact O-CG1 3.14Å; S141-I144 PolarHBondContact O-N 2.97Å; S141-I144 VanDerWaalsContact O-N 3.13Å; S142-I144 PolarHBondContact O-N 3.38Å; I144-L147 PolarHBondContact O-N 2.9Å; I144-L147 VanDerWaalsContact O-N 3.16Å; I144-H148 PolarHBondContact O-N 3.02Å; I144-H148 VanDerWaalsContact O-N 3.16Å; I144-L153 HydrophobicContact CB-CD1 4.2Å; I144-L153 HydrophobicContact CB-CD2 4.36Å; I144-L153 HydrophobicContact CD1-CD1 4.42Å; I144-L153 HydrophobicContact CG2-CD1 4.21Å; I144-L153 HydrophobicContact CG2-CD2 3.65Å; I144-S162 WeakPolarHBondContact CG2-OG 2.94Å; I144-Y165 HydrophobicContact CD1-CD1 3.66Å; I144-Y165 HydrophobicContact CD1-CE1 3.86Å; I144-Y165 HydrophobicContact CG1-CD1 3.94Å; I144-Y165 HydrophobicContact CG2-CD1 4.31Å
145	L	97.4	Very high	94.2	Very high	55 Å²	55	71.1 Å²	71.1	29%	0.288	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-41.1	179.1	-79.6	169.7	0	0	0	112.8	S141 S142 L147 H148 L153	S141-L145 PolarHBondContact O-N 2.58Å; S142-L145 PolarHBondContact O-N 3.15Å; S142-L145 VanDerWaalsContact O-N 3.14Å; L145-L147 PolarHBondContact O-N 3.39Å; L145-H148 PolarHBondContact O-N 3.42Å; L145-L153 HydrophobicContact CD2-CD2 3.87Å; L145-L153 HydrophobicContact CD2-CG 3.64Å; L145-L153 HydrophobicContact CG-CD1 4.15Å; L145-L153 HydrophobicContact CG-CD2 4.17Å; L145-L153 HydrophobicContact CG-CG 3.81Å
146	E	97.1	Very high	93.5	Very high	132 Å²	132	70.4 Å²	70.4	62%	0.617	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.9	174.8	-75.9	165.4	-161.6	0	0	113.3	K109 S142	K109-E146 WeakPolarHBondContact CE-OE2 3.15Å; K109-E146 IonicContact NZ-OE2 3.7Å; K109-E146 PolarHBondContact NZ-OE2 3.02Å; S142-E146 WeakPolarHBondContact O-CG 3.19Å; S142-E146 PolarHBondContact O-N 3.01Å
147	L	96.3	Very high	93.1	Very high	42 Å²	42	70 Å²	70	22%	0.22	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-3.6	-177.2	-63.7	175.5	0	0	0	112.9	F105 K109 L114 I144 L145 K163 R164	F105-L147 HydrophobicContact CZ-CD1 4.09Å; K109-L147 HydrophobicContact CD-CD1 3.89Å; L114-L147 HydrophobicContact CD1-CD1 3.34Å; I144-L147 PolarHBondContact O-N 2.9Å; I144-L147 VanDerWaalsContact O-N 3.16Å; L145-L147 PolarHBondContact O-N 3.39Å; L147-K163 WeakPolarHBondContact O-CB 3.46Å; L147-R164 HydrophobicContact CB-CB 4.14Å; L147-R164 HydrophobicContact CB-CG 3.79Å; L147-R164 HydrophobicContact CD1-CB 4.36Å; L147-R164 HydrophobicContact CD1-CG 4.47Å
148	H	95.7	Very high	92.9	Very high	39 Å²	39	69.5 Å²	69.5	18%	0.181	39%	0.39	C	S	.	.	S	Bend	trans	-86.5	163	-179.2	-165.7	32.6	0	0	0	111.3	I144 L145 E150 K163	I144-H148 PolarHBondContact O-N 3.02Å; I144-H148 VanDerWaalsContact O-N 3.16Å; L145-H148 PolarHBondContact O-N 3.42Å; H148-E150 PolarHBondContact CD2-O 2.89Å; H148-K163 PolarHBondContact ND1-N 2.9Å
149	S	87	Confident	92.9	Very high	79 Å²	79	67.5 Å²	67.5	55%	0.552	38%	0.375	S	S	*	.	S	Bend	trans	-85.7	-22.1	176.2	47.6	0	0	0	0	112.8
150	E	89.8	Confident	92.9	Very high	120 Å²	120	64.4 Å²	64.4	56%	0.561	36%	0.355	S	S	*	.	S	Bend	trans	-115.4	156.4	-177.4	-52.5	-62.3	142.5	0	0	110.8	H148 T152	H148-E150 PolarHBondContact CD2-O 2.89Å; E150-T152 PolarHBondContact O-N 2.72Å
151	D	86.5	Confident	92.8	Very high	158 Å²	158	66.7 Å²	66.7	85%	0.845	37%	0.367	S	S	*	.	S	Bend	trans	-75.3	-5.1	-179.1	-62.1	-29	0	0	0	113.8
152	T	88.3	Confident	92.8	Very high	87 Å²	87	66 Å²	66	53%	0.534	36%	0.362	S	S	.	.	S	Bend	trans	-132.4	140.4	-176.6	66	0	0	0	0	111.8	E150	E150-T152 PolarHBondContact O-N 2.72Å
153	L	88.7	Confident	92.8	Very high	33 Å²	33	69.8 Å²	69.8	17%	0.173	37%	0.372	C	S	.	.			trans	-85.5	112.2	170.3	-63.3	175.6	0	0	0	108.8	I134 I144 L145 L160	I134-L153 HydrophobicContact CG2-CD1 4.45Å; I144-L153 HydrophobicContact CB-CD1 4.2Å; I144-L153 HydrophobicContact CB-CD2 4.36Å; I144-L153 HydrophobicContact CD1-CD1 4.42Å; I144-L153 HydrophobicContact CG2-CD1 4.21Å; I144-L153 HydrophobicContact CG2-CD2 3.65Å; L145-L153 HydrophobicContact CD2-CD2 3.87Å; L145-L153 HydrophobicContact CD2-CG 3.64Å; L145-L153 HydrophobicContact CG-CD1 4.15Å; L145-L153 HydrophobicContact CG-CD2 4.17Å; L145-L153 HydrophobicContact CG-CG 3.81Å; L153-L160 HydrophobicContact CD1-CD1 4.33Å
154	Q	84.1	Confident	92.8	Very high	150 Å²	150	72 Å²	72	70%	0.701	38%	0.379	S	S	*	.			trans	-79.1	128	170.1	-64.5	-167.2	-3.8	0	0	109.5
155	M	87.9	Confident	92.8	Very high	50 Å²	50	72 Å²	72	25%	0.246	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	99.9	179	-52.2	173.2	101.9	0	0	105.9	L131 I134 K135 I159 L160	L131-M155 HydrophobicContact CB-CE 3.41Å; L131-M155 VanDerWaalsContact CB-CE 3.41Å; L131-M155 HydrophobicContact CD1-CB 4.47Å; L131-M155 HydrophobicContact CD1-CE 4.13Å; L131-M155 HydrophobicContact CD2-CE 3.68Å; L131-M155 HydrophobicContact CG-CE 3.87Å; L131-M155 VanDerWaalsContact O-CE 3.3Å; L131-M155 WeakPolarHBondContact O-CE 3.23Å; I134-M155 HydrophobicContact CB-CE 4.47Å; K135-M155 HydrophobicContact CB-CE 4.34Å; K135-M155 HydrophobicContact CB-SD 3.91Å; K135-M155 HydrophobicContact CD-SD 4.03Å; K135-M155 HydrophobicContact CG-SD 4.2Å; M155-I159 WeakPolarHBondContact CA-O 3.49Å; M155-L160 HydrophobicContact CE-CB 4.46Å; M155-L160 HydrophobicContact CE-CD1 3.57Å; M155-L160 HydrophobicContact CG-CB 4.49Å; M155-L160 HydrophobicContact CG-CD1 4.26Å
156	D	82.1	Confident	92.9	Very high	140 Å²	140	69.4 Å²	69.4	75%	0.749	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.7	-177.5	-164.5	7.3	0	0	0	110.1	H158 I159	D156-H158 PolarHBondContact O-N 3.01Å; D156-I159 PolarHBondContact N-O 3.37Å; D156-I159 VanDerWaalsContact N-O 3.07Å; D156-I159 PolarHBondContact O-N 3.23Å
157	G	88.1	Confident	93	Very high	59 Å²	59	63.2 Å²	63.2	61%	0.608	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	-105.3	-171.6	0	0	0	0	0	112.9
158	H	94.4	Very high	93.1	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.389	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	27.9	-176.7	-52.2	-61.1	0	0	0	112.4	P124 V127 T128 D156 G169	P124-H158 HydrophobicContact CB-CB 4.17Å; V127-H158 WeakPolarHBondContact CG1-O 3.46Å; T128-H158 PolarHBondContact OG1-ND1 2.95Å; T128-H158 VanDerWaalsContact OG1-ND1 3.07Å; D156-H158 PolarHBondContact O-N 3.01Å; H158-G169 WeakPolarHBondContact O-CA 3.29Å; H158-G169 PolarHBondContact O-N 3.2Å
159	I	97.8	Very high	93.2	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.205	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.5	-179.1	-58.4	178.4	0	0	0	109.8	M155 D156 D161 V167 K181	M155-I159 WeakPolarHBondContact CA-O 3.49Å; D156-I159 PolarHBondContact N-O 3.37Å; D156-I159 VanDerWaalsContact N-O 3.07Å; D156-I159 PolarHBondContact O-N 3.23Å; I159-D161 HydrophobicContact CG2-CB 4.41Å; I159-V167 WeakPolarHBondContact CA-O 3.34Å; I159-K181 HydrophobicContact CD1-CD 4.28Å; I159-K181 HydrophobicContact CD1-CG 4.19Å
160	L	98	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.4	156.8	173.9	154.6	0	0	0	106.9	L131 I134 L153 M155 Y165 A166 V167	L131-L160 HydrophobicContact CD1-CB 4.34Å; L131-L160 HydrophobicContact CD2-CB 3.51Å; L131-L160 HydrophobicContact CD2-CD1 4.12Å; L131-L160 HydrophobicContact CD2-CG 4.47Å; I134-L160 HydrophobicContact CG2-CD1 4.19Å; L153-L160 HydrophobicContact CD1-CD1 4.33Å; M155-L160 HydrophobicContact CE-CB 4.46Å; M155-L160 HydrophobicContact CE-CD1 3.57Å; M155-L160 HydrophobicContact CG-CB 4.49Å; M155-L160 HydrophobicContact CG-CD1 4.26Å; L160-Y165 HydrophobicContact CD2-CD1 4.05Å; L160-A166 CarbonylContact O-C 3.43Å; L160-A166 WeakPolarHBondContact O-CA 3.3Å; L160-V167 HydrophobicContact CB-CB 4.35Å; L160-V167 PolarHBondContact N-O 3.32Å; L160-V167 PolarHBondContact O-N 3.37Å
161	D	97.8	Very high	94.2	Very high	48 Å²	48	51.6 Å²	51.6	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.6	172.1	-170.8	27.6	0	0	0	109.7	K117 I159	K117-D161 IonicContact NZ-OD1 2.74Å; K117-D161 PolarHBondContact NZ-OD1 3.16Å; I159-D161 HydrophobicContact CG2-CB 4.41Å
162	S	97.6	Very high	94.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	24%	0.236	C	C	.	.			trans	-135.3	177.5	172.3	80.4	0	0	0	0	109.6	K117 I144 R164 Y165	K117-S162 VanDerWaalsContact CE-O 3.23Å; K117-S162 WeakPolarHBondContact CE-O 3.35Å; K117-S162 PolarHBondContact NZ-O 3.29Å; I144-S162 WeakPolarHBondContact CG2-OG 2.94Å; S162-R164 VanDerWaalsContact C-N 3.32Å; S162-R164 PolarHBondContact O-N 3.07Å; S162-Y165 WeakPolarHBondContact CA-O 3.32Å; S162-Y165 WeakPolarHBondContact CB-O 3.43Å; S162-Y165 PolarHBondContact N-O 2.61Å; S162-Y165 PolarHBondContact OG-N 3.23Å; S162-Y165 PolarHBondContact OG-O 3.11Å
163	K	97.9	Very high	95.2	Very high	131 Å²	131	44 Å²	44	57%	0.57	22%	0.224	S	C	*	.	S	Bend	trans	-64	-38.1	-176.1	-175.5	176.1	-179.1	179.1	0	112.3	L147 H148	L147-K163 WeakPolarHBondContact O-CB 3.46Å; H148-K163 PolarHBondContact ND1-N 2.9Å
164	R	98.4	Very high	95.7	Very high	62 Å²	62	45.8 Å²	45.8	23%	0.234	23%	0.234	C	C	.	.	S	Bend	trans	-116.1	-11.8	-173	-57.9	-59.7	-64.8	-75.8	1.6	114.2	L114 P115 S116 Y118 L147 S162	L114-R164 PolarHBondContact O-NH2 2.9Å; P115-R164 PolarHBondContact O-NE 3.38Å; P115-R164 PolarHBondContact O-NH2 3.09Å; S116-R164 VanDerWaalsContact O-CD 3.3Å; S116-R164 WeakPolarHBondContact O-CD 3.45Å; S116-R164 PolarHBondContact O-NE 3.31Å; Y118-R164 PolarHBondContact N-O 2.94Å; L147-R164 HydrophobicContact CB-CB 4.14Å; L147-R164 HydrophobicContact CB-CG 3.79Å; L147-R164 HydrophobicContact CD1-CB 4.36Å; L147-R164 HydrophobicContact CD1-CG 4.47Å; S162-R164 VanDerWaalsContact C-N 3.32Å; S162-R164 PolarHBondContact O-N 3.07Å
165	Y	98.8	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.4	-176.9	-177.9	-126.6	0	0	0	111.5	F105 W106 Y118 E120 I134 I144 L160 S162 V167	F105-Y165 HydrophobicContact CB-CD2 4Å; F105-Y165 HydrophobicContact CB-CE2 3.86Å; F105-Y165 HydrophobicContact CD1-CD1 4.32Å; F105-Y165 HydrophobicContact CD1-CD2 4.25Å; F105-Y165 HydrophobicContact CD1-CG 4.14Å; F105-Y165 AromaticContact CD2-CD2 3.74Å; F105-Y165 HydrophobicContact CD2-CD2 3.74Å; F105-Y165 HydrophobicContact CD2-CE2 4.47Å; F105-Y165 AromaticContact CD2-CG 3.99Å; F105-Y165 HydrophobicContact CD2-CG 3.99Å; F105-Y165 HydrophobicContact CE1-CD1 4.43Å; F105-Y165 HydrophobicContact CE1-CG 4.28Å; F105-Y165 HydrophobicContact CE2-CD2 4.31Å; F105-Y165 HydrophobicContact CE2-CG 4.13Å; F105-Y165 AromaticContact CG-CD2 3.7Å; F105-Y165 HydrophobicContact CG-CD2 3.7Å; F105-Y165 HydrophobicContact CG-CE2 4.03Å; F105-Y165 AromaticContact CG-CG 4Å; F105-Y165 HydrophobicContact CG-CG 4Å; F105-Y165 HydrophobicContact CZ-CG 4.26Å; W106-Y165 HydrophobicContact CH2-CE1 4.23Å; W106-Y165 HydrophobicContact CZ2-CE1 4.29Å; Y118-Y165 AromaticContact CD1-CD2 3.88Å; Y118-Y165 HydrophobicContact CD1-CD2 3.88Å; Y118-Y165 AromaticContact CD1-CE2 3.83Å; Y118-Y165 HydrophobicContact CD1-CE2 3.83Å; Y118-Y165 HydrophobicContact CE1-CE2 4.4Å; Y118-Y165 HydrophobicContact CG-CD2 4.44Å; Y118-Y165 CarbonylContact O-C 3.52Å; Y118-Y165 VanDerWaalsContact O-CA 3.27Å; Y118-Y165 WeakPolarHBondContact O-CA 3.4Å; E120-Y165 VanDerWaalsContact CD-OH 3.25Å; E120-Y165 HydrophobicContact CG-CE2 3.96Å; E120-Y165 PolarHBondContact OE2-OH 3.24Å; I134-Y165 HydrophobicContact CD1-CE1 4.19Å; I144-Y165 HydrophobicContact CD1-CD1 3.66Å; I144-Y165 HydrophobicContact CD1-CE1 3.86Å; I144-Y165 HydrophobicContact CG1-CD1 3.94Å; I144-Y165 HydrophobicContact CG2-CD1 4.31Å; L160-Y165 HydrophobicContact CD2-CD1 4.05Å; S162-Y165 WeakPolarHBondContact CA-O 3.32Å; S162-Y165 WeakPolarHBondContact CB-O 3.43Å; S162-Y165 PolarHBondContact N-O 2.61Å; S162-Y165 PolarHBondContact OG-N 3.23Å; S162-Y165 PolarHBondContact OG-O 3.11Å; Y165-V167 HydrophobicContact CD1-CG2 4.29Å; Y165-V167 HydrophobicContact CE1-CG2 3.49Å; Y165-V167 VanDerWaalsContact CE1-CG2 3.49Å; Y165-V167 HydrophobicContact CE2-CG2 4.08Å; Y165-V167 VanDerWaalsContact OH-CG2 3.27Å; Y165-V167 WeakPolarHBondContact OH-CG2 3.09Å
166	A	98.8	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.5	174	0	0	0	0	0	110.7	Y118 F119 E120 L160 C185	Y118-A166 PolarHBondContact O-N 2.7Å; F119-A166 CarbonylContact C-O 3.54Å; F119-A166 WeakPolarHBondContact CA-O 3.26Å; F119-A166 HydrophobicContact CD1-CB 3.86Å; F119-A166 HydrophobicContact CE1-CB 4.29Å; E120-A166 PolarHBondContact N-O 2.87Å; L160-A166 CarbonylContact O-C 3.43Å; L160-A166 WeakPolarHBondContact O-CA 3.3Å; A166-C185 HydrophobicContact CB-CB 4.11Å
167	V	98.8	Very high	97.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.8	175	-171.4	0	0	0	0	108.1	E120 V127 K130 L131 I159 L160 Y165	E120-V167 HydrophobicContact CB-CG1 4.37Å; E120-V167 HydrophobicContact CB-CG2 4.5Å; E120-V167 CarbonylContact O-C 3.55Å; E120-V167 WeakPolarHBondContact O-CA 3.5Å; V127-V167 HydrophobicContact CB-CG1 4.35Å; V127-V167 HydrophobicContact CG1-CG1 3.75Å; V127-V167 HydrophobicContact CG2-CG1 3.97Å; K130-V167 HydrophobicContact CD-CG1 4.42Å; L131-V167 HydrophobicContact CD2-CB 3.94Å; L131-V167 HydrophobicContact CD2-CG1 4.15Å; L131-V167 HydrophobicContact CD2-CG2 4.35Å; I159-V167 WeakPolarHBondContact CA-O 3.34Å; L160-V167 HydrophobicContact CB-CB 4.35Å; L160-V167 PolarHBondContact N-O 3.32Å; L160-V167 PolarHBondContact O-N 3.37Å; Y165-V167 HydrophobicContact CD1-CG2 4.29Å; Y165-V167 HydrophobicContact CE1-CG2 3.49Å; Y165-V167 VanDerWaalsContact CE1-CG2 3.49Å; Y165-V167 HydrophobicContact CE2-CG2 4.08Å; Y165-V167 VanDerWaalsContact OH-CG2 3.27Å; Y165-V167 WeakPolarHBondContact OH-CG2 3.09Å
168	I	98.8	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.6	-166.3	-60.5	166.6	0	0	0	109.7	F119 E120 V121 D122 A170 K181 L182 C185	F119-I168 HydrophobicContact CD1-CD1 4.32Å; E120-I168 PolarHBondContact O-N 3.29Å; V121-I168 WeakPolarHBondContact CA-O 3.49Å; V121-I168 HydrophobicContact CG2-CB 4.41Å; D122-I168 PolarHBondContact N-O 3.38Å; D122-I168 VanDerWaalsContact N-O 3.15Å; I168-A170 HydrophobicContact CG2-CB 4.22Å; I168-A170 PolarHBondContact O-N 3.37Å; I168-K181 HydrophobicContact CG2-CB 3.56Å; I168-K181 HydrophobicContact CG2-CD 3.88Å; I168-K181 HydrophobicContact CG2-CG 4.32Å; I168-L182 HydrophobicContact CD1-CD2 3.61Å; I168-L182 HydrophobicContact CD1-CG 4.08Å; I168-C185 HydrophobicContact CD1-CB 4.15Å
169	G	98.6	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	106.5	170.1	0	0	0	0	0	110.4	D122 H158 K181	D122-G169 CarbonylContact O-C 3.51Å; D122-G169 VanDerWaalsContact O-CA 3.26Å; D122-G169 WeakPolarHBondContact O-CA 3.43Å; H158-G169 WeakPolarHBondContact O-CA 3.29Å; H158-G169 PolarHBondContact O-N 3.2Å; G169-K181 PolarHBondContact O-NZ 3.49Å
170	A	98.3	Very high	98.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	18%	0.183	C	C	.	.			trans	-151.3	151.3	177.5	0	0	0	0	0	110.6	V121 D122 I168 K181	V121-A170 HydrophobicContact CG1-CB 4.03Å; D122-A170 CarbonylContact C-O 3.53Å; D122-A170 PolarHBondContact O-N 3.37Å; D122-A170 VanDerWaalsContact O-O 3.07Å; I168-A170 HydrophobicContact CG2-CB 4.22Å; I168-A170 PolarHBondContact O-N 3.37Å; A170-K181 HydrophobicContact CB-CD 4.1Å
171	D	98.3	Very high	98.4	Very high	35 Å²	35	39 Å²	39	19%	0.187	19%	0.19	C	C	.	.			trans	-82.6	122.8	169.5	-168.8	-26.6	0	0	0	109.6	F123 R173 D174 E177	F123-D171 HydrophobicContact CE1-CB 4.13Å; D171-R173 PolarHBondContact O-N 3.22Å; D171-R173 VanDerWaalsContact O-N 3.12Å; D171-R173 VanDerWaalsContact OD1-CB 3.27Å; D171-R173 WeakPolarHBondContact OD1-CB 3.32Å; D171-R173 WeakPolarHBondContact OD1-CG 3.37Å; D171-R173 IonicContact OD1-CZ 3.94Å; D171-R173 PolarHBondContact OD1-N 3.28Å; D171-R173 IonicContact OD1-NE 3.27Å; D171-R173 PolarHBondContact OD1-NE 2.92Å; D171-R173 IonicContact OD1-NH2 3.81Å; D171-R173 IonicContact OD2-CZ 2.85Å; D171-R173 VanDerWaalsContact OD2-CZ 3.29Å; D171-R173 IonicContact OD2-NE 3.64Å; D171-R173 PolarHBondContact OD2-NE 3.25Å; D171-R173 VanDerWaalsContact OD2-NE 3.07Å; D171-R173 IonicContact OD2-NH2 3.58Å; D171-R173 PolarHBondContact OD2-NH2 2.95Å; D171-D174 HydrophobicContact CB-CB 4.44Å; D171-D174 PolarHBondContact O-N 3.2Å; D171-E177 PolarHBondContact N-OE2 3.14Å
172	L	98.6	Very high	98.4	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.068	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15	179.5	-66.1	178.5	0	0	0	113.5	L97 V121 L175 L178 V200 M204 L212	L97-L172 HydrophobicContact CB-CD1 4.04Å; L97-L172 HydrophobicContact CB-CD2 4.22Å; L97-L172 HydrophobicContact CD2-CD2 3.82Å; V121-L172 HydrophobicContact CB-CD2 4.24Å; V121-L172 HydrophobicContact CG1-CD2 3.71Å; L172-L175 WeakPolarHBondContact O-CD2 3.45Å; L172-L178 HydrophobicContact CD2-CD1 4.18Å; L172-L178 HydrophobicContact CD2-CD2 4.1Å; L172-V200 HydrophobicContact CD1-CG1 3.65Å; L172-M204 HydrophobicContact CB-CE 3.9Å; L172-M204 HydrophobicContact CD1-CE 4.17Å; L172-L212 HydrophobicContact CB-CD2 4.28Å; L172-L212 HydrophobicContact CD1-CD2 4.45Å
173	R	98	Very high	98.4	Very high	73 Å²	73	41.7 Å²	41.7	28%	0.275	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-20	175.8	-55.7	170.3	-64.7	-171.1	4.3	111.8	D23 D171 M204 Q208	D23-R173 VanDerWaalsContact CG-NH2 3.35Å; D23-R173 IonicContact OD1-CZ 2.78Å; D23-R173 IonicContact OD1-NH1 3.08Å; D23-R173 PolarHBondContact OD1-NH1 3.43Å; D23-R173 IonicContact OD1-NH2 3.27Å; D23-R173 PolarHBondContact OD1-NH2 2.99Å; D23-R173 IonicContact OD2-CZ 3.36Å; D23-R173 IonicContact OD2-NH1 2.64Å; D23-R173 IonicContact OD2-NH2 2.76Å; D23-R173 PolarHBondContact OD2-NH2 3Å; D171-R173 PolarHBondContact O-N 3.22Å; D171-R173 VanDerWaalsContact O-N 3.12Å; D171-R173 VanDerWaalsContact OD1-CB 3.27Å; D171-R173 WeakPolarHBondContact OD1-CB 3.32Å; D171-R173 WeakPolarHBondContact OD1-CG 3.37Å; D171-R173 IonicContact OD1-CZ 3.94Å; D171-R173 PolarHBondContact OD1-N 3.28Å; D171-R173 IonicContact OD1-NE 3.27Å; D171-R173 PolarHBondContact OD1-NE 2.92Å; D171-R173 IonicContact OD1-NH2 3.81Å; D171-R173 IonicContact OD2-CZ 2.85Å; D171-R173 VanDerWaalsContact OD2-CZ 3.29Å; D171-R173 IonicContact OD2-NE 3.64Å; D171-R173 PolarHBondContact OD2-NE 3.25Å; D171-R173 VanDerWaalsContact OD2-NE 3.07Å; D171-R173 IonicContact OD2-NH2 3.58Å; D171-R173 PolarHBondContact OD2-NH2 2.95Å; R173-M204 HydrophobicContact CG-CB 4.3Å; R173-Q208 HydrophobicContact CB-CG 4.41Å; R173-Q208 HydrophobicContact CG-CB 4.4Å; R173-Q208 HydrophobicContact CG-CG 4.28Å
174	D	98.3	Very high	98.4	Very high	71 Å²	71	41.5 Å²	41.5	38%	0.38	20%	0.199	S	C	.	.			trans	-100.2	87.9	174.2	-170.4	-15.6	0	0	0	110.3	D171 S176 E177 L178	D171-D174 HydrophobicContact CB-CB 4.44Å; D171-D174 PolarHBondContact O-N 3.2Å; D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 2.82Å; D174-S176 PolarHBondContact OD1-N 2.97Å; D174-S176 PolarHBondContact OD1-OG 3.3Å; D174-E177 HydrophobicContact CB-CB 4.07Å; D174-E177 PolarHBondContact O-N 3.38Å; D174-E177 PolarHBondContact OD1-N 3.27Å; D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 PolarHBondContact O-N 2.89Å
175	L	98.5	Very high	98.4	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-27	-174.1	-61.6	178.7	0	0	0	113.6	L172 L178 E179 N211 L212 W215	L172-L175 WeakPolarHBondContact O-CD2 3.45Å; L175-L178 HydrophobicContact CD2-CD2 4.09Å; L175-E179 WeakPolarHBondContact O-CB 3.48Å; L175-E179 PolarHBondContact O-N 3.17Å; L175-N211 HydrophobicContact CD1-CB 3.87Å; L175-L212 HydrophobicContact CD2-CB 4.22Å; L175-L212 HydrophobicContact CD2-CD1 3.63Å; L175-W215 HydrophobicContact CD1-CB 4.03Å; L175-W215 HydrophobicContact CD2-CB 4.48Å; L175-W215 HydrophobicContact CD2-CG 4.5Å
176	S	98.3	Very high	98.3	Very high	86 Å²	86	44.3 Å²	44.3	60%	0.601	22%	0.218	S	C	*	.	H	α-helix	trans	-72.3	-42.6	177.1	55	0	0	0	0	110.5	D174 E180	D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 2.82Å; D174-S176 PolarHBondContact OD1-N 2.97Å; D174-S176 PolarHBondContact OD1-OG 3.3Å; S176-E180 VanDerWaalsContact O-CB 3.29Å; S176-E180 WeakPolarHBondContact O-CB 3.48Å; S176-E180 PolarHBondContact O-N 2.93Å
177	E	98.1	Very high	98.3	Very high	56 Å²	56	45 Å²	45	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-47.2	172.8	-173.4	-169.7	-153.5	0	0	111.3	D171 D174 E180 K181	D171-E177 PolarHBondContact N-OE2 3.14Å; D174-E177 HydrophobicContact CB-CB 4.07Å; D174-E177 PolarHBondContact O-N 3.38Å; D174-E177 PolarHBondContact OD1-N 3.27Å; E177-E180 PolarHBondContact O-N 2.83Å; E177-K181 HydrophobicContact CG-CD 4Å; E177-K181 WeakPolarHBondContact O-CB 3.26Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.75Å; E177-K181 WeakPolarHBondContact OE1-CE 3.46Å; E177-K181 IonicContact OE1-NZ 2.6Å; E177-K181 PolarHBondContact OE1-NZ 3.06Å
178	L	98.6	Very high	98.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-53.7	178.5	175.8	60.3	0	0	0	111.8	V121 L172 D174 L175 K181 L182 L212 W215	V121-L178 HydrophobicContact CB-CD1 4.37Å; V121-L178 HydrophobicContact CG1-CD1 3.72Å; V121-L178 HydrophobicContact CG2-CD1 3.94Å; L172-L178 HydrophobicContact CD2-CD1 4.18Å; L172-L178 HydrophobicContact CD2-CD2 4.1Å; D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 PolarHBondContact O-N 2.89Å; L175-L178 HydrophobicContact CD2-CD2 4.09Å; L178-K181 PolarHBondContact O-N 3.44Å; L178-L182 HydrophobicContact CD1-CD1 3.68Å; L178-L182 HydrophobicContact CD1-CG 4.25Å; L178-L182 HydrophobicContact CG-CD1 3.88Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 2.96Å; L178-L212 HydrophobicContact CD2-CD1 3.72Å; L178-W215 HydrophobicContact CD2-CE3 4.34Å; L178-W215 HydrophobicContact CD2-CH2 4.03Å; L178-W215 HydrophobicContact CD2-CZ2 4.36Å; L178-W215 HydrophobicContact CD2-CZ3 4.01Å; L178-W215 HydrophobicContact CG-CH2 4.3Å; L178-W215 HydrophobicContact CG-CZ2 4.41Å
179	E	98.6	Very high	98.3	Very high	58 Å²	58	50.3 Å²	50.3	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-65.8	-41.6	-177.5	-175	173.3	156.8	0	0	111.9	L175 K181 L182 K183 W215	L175-E179 WeakPolarHBondContact O-CB 3.48Å; L175-E179 PolarHBondContact O-N 3.17Å; E179-K181 PolarHBondContact O-N 2.87Å; E179-L182 PolarHBondContact O-N 3.42Å; E179-K183 HydrophobicContact CG-CD 4.17Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CG 3.26Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE1-CE 3.39Å; E179-K183 IonicContact OE1-NZ 3.76Å; E179-K183 PolarHBondContact OE1-NZ 2.88Å; E179-W215 HydrophobicContact CB-CZ2 4.42Å; E179-W215 PolarHBondContact OE2-NE1 3.08Å
180	E	98.4	Very high	98.2	Very high	105 Å²	105	57.1 Å²	57.1	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-49.2	176.7	-176.3	-172.6	152.7	0	0	110.9	S176 E177 K183 K184	S176-E180 VanDerWaalsContact O-CB 3.29Å; S176-E180 WeakPolarHBondContact O-CB 3.48Å; S176-E180 PolarHBondContact O-N 2.93Å; E177-E180 PolarHBondContact O-N 2.83Å; E180-K183 PolarHBondContact O-N 3.43Å; E180-K184 HydrophobicContact CG-CD 4.43Å; E180-K184 WeakPolarHBondContact O-CG 3.32Å; E180-K184 PolarHBondContact O-N 2.93Å; E180-K184 WeakPolarHBondContact OE1-CE 3.39Å; E180-K184 IonicContact OE1-NZ 3.03Å; E180-K184 PolarHBondContact OE1-NZ 2.84Å
181	K	98.4	Very high	98.3	Very high	34 Å²	34	58.4 Å²	58.4	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-38.5	-177.7	-72.1	177.4	172.8	173.6	0	112.8	I159 I168 G169 A170 E177 L178 E179 K184 C185	I159-K181 HydrophobicContact CD1-CD 4.28Å; I159-K181 HydrophobicContact CD1-CG 4.19Å; I168-K181 HydrophobicContact CG2-CB 3.56Å; I168-K181 HydrophobicContact CG2-CD 3.88Å; I168-K181 HydrophobicContact CG2-CG 4.32Å; G169-K181 PolarHBondContact O-NZ 3.49Å; A170-K181 HydrophobicContact CB-CD 4.1Å; E177-K181 HydrophobicContact CG-CD 4Å; E177-K181 WeakPolarHBondContact O-CB 3.26Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.75Å; E177-K181 WeakPolarHBondContact OE1-CE 3.46Å; E177-K181 IonicContact OE1-NZ 2.6Å; E177-K181 PolarHBondContact OE1-NZ 3.06Å; L178-K181 PolarHBondContact O-N 3.44Å; E179-K181 PolarHBondContact O-N 2.87Å; K181-K184 PolarHBondContact O-N 2.85Å; K181-C185 PolarHBondContact O-N 3.34Å; K181-C185 PolarHBondContact O-SG 3.32Å
182	L	98.6	Very high	98.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-44.7	173.5	-78.6	165.7	0	0	0	111.5	I95 F119 V121 I168 L178 E179 C185 N186 M187 W215	I95-L182 HydrophobicContact CG2-CD2 4.38Å; F119-L182 HydrophobicContact CB-CD2 4.13Å; F119-L182 HydrophobicContact CD1-CD2 3.89Å; F119-L182 HydrophobicContact CG-CD2 4.14Å; V121-L182 HydrophobicContact CG2-CD2 4.27Å; I168-L182 HydrophobicContact CD1-CD2 3.61Å; I168-L182 HydrophobicContact CD1-CG 4.08Å; L178-L182 HydrophobicContact CD1-CD1 3.68Å; L178-L182 HydrophobicContact CD1-CG 4.25Å; L178-L182 HydrophobicContact CG-CD1 3.88Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 2.96Å; E179-L182 PolarHBondContact O-N 3.42Å; L182-C185 CarbonylContact O-C 3.52Å; L182-C185 WeakPolarHBondContact O-CA 3.36Å; L182-C185 PolarHBondContact O-N 3.41Å; L182-C185 VanDerWaalsContact O-N 3.15Å; L182-N186 PolarHBondContact O-N 2.94Å; L182-M187 HydrophobicContact CB-CB 4.1Å; L182-M187 HydrophobicContact CB-CE 4.11Å; L182-M187 HydrophobicContact CB-SD 3.72Å; L182-M187 HydrophobicContact CD1-SD 3.89Å; L182-M187 HydrophobicContact CD2-SD 4.1Å; L182-M187 HydrophobicContact CG-SD 4.14Å; L182-M187 WeakPolarHBondContact O-CB 3.5Å; L182-M187 PolarHBondContact O-N 2.76Å; L182-W215 HydrophobicContact CD1-CH2 3.64Å; L182-W215 HydrophobicContact CD1-CZ2 3.94Å
183	K	98.1	Very high	98.3	Very high	107 Å²	107	57.1 Å²	57.1	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-39	175.4	-74.5	179.9	-177.7	173	0	112.5	E179 E180 C185 N186	E179-K183 HydrophobicContact CG-CD 4.17Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CG 3.26Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE1-CE 3.39Å; E179-K183 IonicContact OE1-NZ 3.76Å; E179-K183 PolarHBondContact OE1-NZ 2.88Å; E180-K183 PolarHBondContact O-N 3.43Å; K183-C185 PolarHBondContact O-N 3.01Å; K183-N186 WeakPolarHBondContact O-CA 3.42Å; K183-N186 PolarHBondContact O-N 3.48Å
184	K	97.3	Very high	98.3	Very high	128 Å²	128	53.6 Å²	53.6	56%	0.557	27%	0.271	S	S	*	.	H	α-helix	trans	-58.1	-36	172	-78	178.2	-177.5	172.8	0	112	E180 K181 N186	E180-K184 HydrophobicContact CG-CD 4.43Å; E180-K184 WeakPolarHBondContact O-CG 3.32Å; E180-K184 PolarHBondContact O-N 2.93Å; E180-K184 WeakPolarHBondContact OE1-CE 3.39Å; E180-K184 IonicContact OE1-NZ 3.03Å; E180-K184 PolarHBondContact OE1-NZ 2.84Å; K181-K184 PolarHBondContact O-N 2.85Å; K184-N186 PolarHBondContact O-N 2.92Å
185	C	97.8	Very high	98.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	19.8	172.9	-57.1	0	0	0	0	112.9	K117 F119 A166 I168 K181 L182 K183 M187	K117-C185 WeakPolarHBondContact CE-O 3.44Å; K117-C185 PolarHBondContact NZ-O 3.46Å; F119-C185 HydrophobicContact CD1-CB 4.44Å; F119-C185 HydrophobicContact CE1-CB 4.02Å; F119-C185 WeakPolarHBondContact CE1-O 3.4Å; A166-C185 HydrophobicContact CB-CB 4.11Å; I168-C185 HydrophobicContact CD1-CB 4.15Å; K181-C185 PolarHBondContact O-N 3.34Å; K181-C185 PolarHBondContact O-SG 3.32Å; L182-C185 CarbonylContact O-C 3.52Å; L182-C185 WeakPolarHBondContact O-CA 3.36Å; L182-C185 PolarHBondContact O-N 3.41Å; L182-C185 VanDerWaalsContact O-N 3.15Å; K183-C185 PolarHBondContact O-N 3.01Å; C185-M187 PolarHBondContact O-N 2.64Å
186	N	98.1	Very high	98.4	Very high	118 Å²	118	48.3 Å²	48.3	63%	0.631	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	36.5	175.1	-53.7	-75.8	0	0	0	114.5	L182 K183 K184 N188	L182-N186 PolarHBondContact O-N 2.94Å; K183-N186 WeakPolarHBondContact O-CA 3.42Å; K183-N186 PolarHBondContact O-N 3.48Å; K184-N186 PolarHBondContact O-N 2.92Å; N186-N188 PolarHBondContact O-N 3.36Å
187	M	98.6	Very high	98.4	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.069	22%	0.215	C	C	.	.			trans	-61.8	127.3	167.5	-172.3	-169.1	70.9	0	0	110.6	I95 F119 L182 C185 T189 F220	I95-M187 HydrophobicContact CD1-CG 4.36Å; I95-M187 HydrophobicContact CD1-SD 3.53Å; I95-M187 VanDerWaalsContact CD1-SD 3.53Å; F119-M187 HydrophobicContact CE1-CB 4.09Å; F119-M187 HydrophobicContact CE2-CG 4.41Å; F119-M187 HydrophobicContact CZ-CB 3.89Å; F119-M187 HydrophobicContact CZ-CG 4.26Å; L182-M187 HydrophobicContact CB-CB 4.1Å; L182-M187 HydrophobicContact CB-CE 4.11Å; L182-M187 HydrophobicContact CB-SD 3.72Å; L182-M187 HydrophobicContact CD1-SD 3.89Å; L182-M187 HydrophobicContact CD2-SD 4.1Å; L182-M187 HydrophobicContact CG-SD 4.14Å; L182-M187 WeakPolarHBondContact O-CB 3.5Å; L182-M187 PolarHBondContact O-N 2.76Å; C185-M187 PolarHBondContact O-N 2.64Å; M187-T189 HydrophobicContact CE-CG2 4.22Å; M187-F220 HydrophobicContact CE-CE1 4.44Å; M187-F220 HydrophobicContact CE-CZ 4.04Å; M187-F220 HydrophobicContact SD-CE1 4.3Å; M187-F220 HydrophobicContact SD-CZ 3.72Å
188	N	98.6	Very high	98.5	Very high	69 Å²	69	42.5 Å²	42.5	37%	0.369	21%	0.206	S	C	.	.			trans	-103.6	116.8	179.4	-175.5	-3.1	0	0	0	111.1	Q93 N186 Q190 L191	Q93-N188 VanDerWaalsContact OE1-CB 3.28Å; Q93-N188 PolarHBondContact OE1-O 3.03Å; N186-N188 PolarHBondContact O-N 3.36Å; N188-Q190 PolarHBondContact O-N 2.74Å; N188-Q190 WeakPolarHBondContact OD1-CB 3.23Å; N188-Q190 PolarHBondContact OD1-N 2.98Å; N188-L191 HydrophobicContact CB-CD1 4.27Å; N188-L191 HydrophobicContact CB-CG 4.25Å; N188-L191 PolarHBondContact O-N 2.84Å
189	T	98	Very high	98.4	Very high	46 Å²	46	43.1 Å²	43.1	28%	0.282	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.5	-179.6	54	0	0	0	0	114.1	M187 S219 F220	M187-T189 HydrophobicContact CE-CG2 4.22Å; T189-S219 VanDerWaalsContact CB-O 3.26Å; T189-S219 WeakPolarHBondContact CB-O 3.43Å; T189-S219 WeakPolarHBondContact CG2-O 3.41Å; T189-F220 HydrophobicContact CG2-CE1 4.48Å
190	Q	98	Very high	98.4	Very high	142 Å²	142	41 Å²	41	66%	0.664	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.4	178.6	-54.9	-57.5	-71.6	0	0	113.1	N188	N188-Q190 PolarHBondContact O-N 2.74Å; N188-Q190 WeakPolarHBondContact OD1-CB 3.23Å; N188-Q190 PolarHBondContact OD1-N 2.98Å
191	L	98.5	Very high	98.4	Very high	28 Å²	28	36 Å²	36	15%	0.147	18%	0.179	C	C	.	.	S	Bend	trans	-86.2	144.1	177.7	-71.2	-179	0	0	0	111.1	H91 Q93 N188 T193	H91-L191 WeakPolarHBondContact NE2-CD2 3.46Å; Q93-L191 HydrophobicContact CG-CB 4.3Å; Q93-L191 HydrophobicContact CG-CD1 4.06Å; N188-L191 HydrophobicContact CB-CD1 4.27Å; N188-L191 HydrophobicContact CB-CG 4.25Å; N188-L191 PolarHBondContact O-N 2.84Å; L191-T193 PolarHBondContact O-N 3.5Å; L191-T193 PolarHBondContact O-OG1 2.82Å
192	P	98.8	Very high	98.4	Very high	21 Å²	21	34.4 Å²	34.4	14%	0.136	17%	0.172	C	C	.	.			trans	-52.3	128.1	166.6	-24.8	34.4	0	0	0	109.8	F84 T88 C92 Q93 A222 L327	F84-P192 HydrophobicContact CZ-CB 4.14Å; T88-P192 HydrophobicContact CG2-CB 3.95Å; C92-P192 CarbonylContact C-O 3.57Å; C92-P192 WeakPolarHBondContact CA-O 3.34Å; C92-P192 HydrophobicContact CB-CB 4.2Å; C92-P192 WeakPolarHBondContact CB-O 3.46Å; Q93-P192 PolarHBondContact N-O 3.11Å; P192-A222 WeakPolarHBondContact CA-O 3.13Å; P192-A222 HydrophobicContact CB-CB 4.48Å; P192-L327 HydrophobicContact CB-CD1 4.12Å; P192-L327 HydrophobicContact CG-CD1 3.82Å
193	T	98.9	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126	-173.5	-60.6	0	0	0	0	111.6	Q93 I95 L191 L195 F220 A222 A223 M224	Q93-T193 HydrophobicContact CB-CG2 4.04Å; Q93-T193 WeakPolarHBondContact O-CA 3.01Å; I95-T193 HydrophobicContact CD1-CG2 3.73Å; I95-T193 HydrophobicContact CG1-CG2 3.88Å; L191-T193 PolarHBondContact O-N 3.5Å; L191-T193 PolarHBondContact O-OG1 2.82Å; T193-L195 HydrophobicContact CG2-CD1 4.04Å; T193-L195 HydrophobicContact CG2-CG 4.32Å; T193-F220 HydrophobicContact CG2-CD1 4.34Å; T193-F220 HydrophobicContact CG2-CD2 4.42Å; T193-F220 HydrophobicContact CG2-CE1 3.92Å; T193-F220 HydrophobicContact CG2-CE2 4.04Å; T193-F220 HydrophobicContact CG2-CZ 3.77Å; T193-F220 WeakPolarHBondContact OG1-CD1 3.11Å; T193-F220 VanDerWaalsContact OG1-CE1 3.28Å; T193-F220 WeakPolarHBondContact OG1-CE1 3.45Å; T193-A222 PolarHBondContact N-O 3.01Å; T193-A222 VanDerWaalsContact N-O 3.14Å; T193-A223 WeakPolarHBondContact O-CA 3.38Å; T193-A223 WeakPolarHBondContact O-CB 3.25Å; T193-M224 PolarHBondContact O-N 3.12Å
194	L	98.9	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.3	169.3	169	63.3	0	0	0	109.3	I81 F84 Q93 I94 I95 I196 M224 I226	I81-L194 HydrophobicContact CB-CD2 4.29Å; I81-L194 HydrophobicContact CG1-CD2 3.87Å; I81-L194 HydrophobicContact CG2-CD2 4.48Å; F84-L194 HydrophobicContact CB-CD2 4.15Å; F84-L194 HydrophobicContact CD1-CB 3.53Å; F84-L194 HydrophobicContact CD1-CD2 4.08Å; F84-L194 HydrophobicContact CD1-CG 4.39Å; F84-L194 HydrophobicContact CD2-CB 4.32Å; F84-L194 HydrophobicContact CE1-CB 3.46Å; F84-L194 VanDerWaalsContact CE1-CB 3.46Å; F84-L194 HydrophobicContact CE2-CB 4.29Å; F84-L194 HydrophobicContact CG-CB 3.96Å; F84-L194 HydrophobicContact CG-CD2 4.21Å; F84-L194 HydrophobicContact CZ-CB 3.88Å; Q93-L194 PolarHBondContact O-N 2.58Å; I94-L194 CarbonylContact C-O 3.52Å; I94-L194 VanDerWaalsContact CA-O 3.29Å; I94-L194 WeakPolarHBondContact CA-O 3.23Å; I94-L194 HydrophobicContact CD1-CD2 4.41Å; I94-L194 HydrophobicContact CG1-CB 4.31Å; I94-L194 HydrophobicContact CG1-CD2 4.36Å; I95-L194 PolarHBondContact N-O 3.33Å; L194-I196 HydrophobicContact CD1-CG1 4.43Å; L194-I196 HydrophobicContact CD2-CD1 4.35Å; L194-I196 HydrophobicContact CD2-CG1 4.36Å; L194-I196 HydrophobicContact CG-CG1 4.1Å; L194-M224 CarbonylContact C-O 3.52Å; L194-M224 WeakPolarHBondContact CA-O 3.12Å; L194-M224 HydrophobicContact CD1-CB 3.83Å; L194-M224 HydrophobicContact CD1-CG 3.77Å; L194-M224 HydrophobicContact CD1-SD 4.08Å; L194-I226 HydrophobicContact CD1-CD1 3.69Å; L194-I226 HydrophobicContact CD1-CG1 3.82Å; L194-I226 HydrophobicContact CD2-CD1 4.15Å; L194-I226 HydrophobicContact CG-CD1 4.47Å
195	L	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.9	171.5	-59	94.9	0	0	0	109.9	I95 L97 T193 W215 A216 F220 A223 M224 F225 I226 W273	I95-L195 HydrophobicContact CB-CD2 4.46Å; I95-L195 HydrophobicContact CB-CG 4.28Å; I95-L195 HydrophobicContact CD1-CD2 4.35Å; I95-L195 HydrophobicContact CD1-CG 4.49Å; I95-L195 CarbonylContact O-C 3.56Å; I95-L195 VanDerWaalsContact O-CA 3.3Å; I95-L195 WeakPolarHBondContact O-CA 3.44Å; L97-L195 HydrophobicContact CD1-CB 4.41Å; L97-L195 HydrophobicContact CD1-CD2 4.16Å; T193-L195 HydrophobicContact CG2-CD1 4.04Å; T193-L195 HydrophobicContact CG2-CG 4.32Å; L195-W215 HydrophobicContact CD2-CZ3 3.98Å; L195-A216 HydrophobicContact CD1-CB 4.27Å; L195-A216 HydrophobicContact CD2-CB 3.66Å; L195-F220 HydrophobicContact CD1-CD2 4.1Å; L195-F220 HydrophobicContact CD1-CE2 4.08Å; L195-F220 HydrophobicContact CD2-CE2 4.3Å; L195-A223 HydrophobicContact CD1-CB 4.48Å; L195-M224 PolarHBondContact N-O 3.21Å; L195-F225 HydrophobicContact CB-CD2 3.66Å; L195-F225 HydrophobicContact CB-CE2 3.83Å; L195-F225 CarbonylContact O-C 3.53Å; L195-F225 WeakPolarHBondContact O-CA 3.38Å; L195-I226 PolarHBondContact O-N 3.33Å; L195-W273 HydrophobicContact CD1-CH2 4.44Å
196	I	98.9	Very high	98.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.8	-177.2	-54.5	161.6	0	0	0	108.7	V77 I81 I94 I95 L97 L194 E198 I226	V77-I196 HydrophobicContact CG1-CG2 4.36Å; I81-I196 HydrophobicContact CD1-CD1 3.68Å; I81-I196 HydrophobicContact CG1-CD1 3.89Å; I94-I196 HydrophobicContact CG2-CD1 3.69Å; I95-I196 PolarHBondContact O-N 2.72Å; L97-I196 WeakPolarHBondContact CB-O 3.28Å; L97-I196 PolarHBondContact N-O 3.03Å; L194-I196 HydrophobicContact CD1-CG1 4.43Å; L194-I196 HydrophobicContact CD2-CD1 4.35Å; L194-I196 HydrophobicContact CD2-CG1 4.36Å; L194-I196 HydrophobicContact CG-CG1 4.1Å; I196-E198 HydrophobicContact CG2-CB 4.26Å; I196-I226 HydrophobicContact CG1-CD1 4.46Å
197	A	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	99.5	168.6	0	0	0	0	0	108.8	V200 L201 F225 I226 N227 Y228	A197-V200 HydrophobicContact CB-CB 4.25Å; A197-L201 HydrophobicContact CB-CD1 4.38Å; A197-L201 HydrophobicContact CB-CD2 4.04Å; A197-L201 HydrophobicContact CB-CG 3.88Å; A197-F225 HydrophobicContact CB-CE1 3.76Å; A197-F225 HydrophobicContact CB-CZ 3.81Å; A197-I226 PolarHBondContact N-O 3.04Å; A197-N227 WeakPolarHBondContact O-CA 3.28Å; A197-Y228 PolarHBondContact O-N 3.16Å
198	E	98.6	Very high	98.3	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	89.9	-171.7	-164.1	-155.8	129.2	0	0	111.4	K37 R73 V77 I196 Y228	K37-E198 VanDerWaalsContact CE-OE1 3.3Å; K37-E198 WeakPolarHBondContact CE-OE1 3.49Å; K37-E198 IonicContact NZ-OE1 3.99Å; K37-E198 PolarHBondContact NZ-OE1 2.91Å; K37-E198 IonicContact NZ-OE2 2.7Å; K37-E198 PolarHBondContact NZ-OE2 3.43Å; R73-E198 IonicContact CZ-OE1 2.67Å; R73-E198 IonicContact NE-OE1 3.18Å; R73-E198 PolarHBondContact NE-OE1 3.39Å; R73-E198 PolarHBondContact NH2-O 3.08Å; R73-E198 IonicContact NH2-OE1 2.85Å; R73-E198 PolarHBondContact NH2-OE1 3.47Å; V77-E198 HydrophobicContact CG2-CG 4.3Å; I196-E198 HydrophobicContact CG2-CB 4.26Å; E198-Y228 HydrophobicContact CG-CD1 4.31Å; E198-Y228 HydrophobicContact CG-CG 4.5Å
199	C	97.8	Very high	98.3	Very high	13 Å²	13	29.9 Å²	29.9	9%	0.088	15%	0.154	C	C	.	.	S	Bend	trans	57.9	65.5	-164.4	-80.7	0	0	0	0	111.5	R73 Y203 Y228	R73-C199 PolarHBondContact NH1-SG 3Å; R73-C199 VanDerWaalsContact NH1-SG 3.39Å; C199-Y203 WeakPolarHBondContact O-CE2 3.37Å; C199-Y228 VanDerWaalsContact CA-O 3.3Å; C199-Y228 WeakPolarHBondContact CA-O 3.36Å; C199-Y228 PolarHBondContact N-O 2.79Å; C199-Y228 VanDerWaalsContact SG-CD1 3.55Å; C199-Y228 WeakPolarHBondContact SG-CE1 3.48Å
200	V	98.4	Very high	98.4	Very high	15 Å²	15	28.7 Å²	28.7	9%	0.091	15%	0.148	C	C	.	.			trans	-134.3	-49.6	-175.6	176.5	0	0	0	0	112.3	L97 L172 A197 V202 Y203 M204	L97-V200 WeakPolarHBondContact O-CG2 3.43Å; L172-V200 HydrophobicContact CD1-CG1 3.65Å; A197-V200 HydrophobicContact CB-CB 4.25Å; V200-V202 PolarHBondContact O-N 3.48Å; V200-Y203 PolarHBondContact O-N 3Å; V200-Y203 VanDerWaalsContact O-N 3.09Å; V200-M204 HydrophobicContact CG1-CE 4.33Å
201	L	98.5	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-63	-32.4	-174.4	-54.4	-176.7	0	0	0	112.5	A197 Y203 M204 L212 L213 F225 E229	A197-L201 HydrophobicContact CB-CD1 4.38Å; A197-L201 HydrophobicContact CB-CD2 4.04Å; A197-L201 HydrophobicContact CB-CG 3.88Å; L201-Y203 PolarHBondContact O-N 2.63Å; L201-Y203 VanDerWaalsContact O-N 3.15Å; L201-M204 HydrophobicContact CD2-SD 4.42Å; L201-M204 WeakPolarHBondContact O-CG 3.38Å; L201-M204 PolarHBondContact O-N 3.39Å; L201-L212 HydrophobicContact CD2-CD2 3.84Å; L201-L213 HydrophobicContact CD1-CD1 4.31Å; L201-L213 HydrophobicContact CD1-CD2 4.18Å; L201-L213 HydrophobicContact CD1-CG 4.31Å; L201-F225 HydrophobicContact CD1-CE1 4.12Å; L201-F225 HydrophobicContact CD1-CZ 4.38Å; L201-E229 WeakPolarHBondContact CB-OE2 3.28Å
202	V	97.8	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-58.4	-22.3	175.6	74.3	0	0	0	0	114.7	V200 E229 L252 A253 G254	V200-V202 PolarHBondContact O-N 3.48Å; V202-E229 PolarHBondContact N-OE2 2.7Å; V202-L252 HydrophobicContact CG1-CD2 4.13Å; V202-L252 HydrophobicContact CG2-CB 4.07Å; V202-L252 HydrophobicContact CG2-CD1 4.16Å; V202-L252 HydrophobicContact CG2-CD2 3.99Å; V202-L252 HydrophobicContact CG2-CG 4.3Å; V202-L252 CarbonylContact O-C 3.56Å; V202-A253 PolarHBondContact O-N 3.38Å; V202-G254 PolarHBondContact O-N 2.9Å
203	Y	97	Very high	98.4	Very high	37 Å²	37	23 Å²	23	15%	0.145	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-87.9	-4.8	-179.1	-60.4	-53	0	0	0	114.2	V26 T29 C199 V200 L201 C250 L252	V26-Y203 HydrophobicContact CG1-CD2 4.2Å; V26-Y203 HydrophobicContact CG1-CG 3.97Å; V26-Y203 HydrophobicContact CG2-CD1 4.21Å; V26-Y203 HydrophobicContact CG2-CG 4.23Å; T29-Y203 HydrophobicContact CG2-CE1 3.93Å; T29-Y203 HydrophobicContact CG2-CE2 4.31Å; C199-Y203 WeakPolarHBondContact O-CE2 3.37Å; V200-Y203 PolarHBondContact O-N 3Å; V200-Y203 VanDerWaalsContact O-N 3.09Å; L201-Y203 PolarHBondContact O-N 2.63Å; L201-Y203 VanDerWaalsContact O-N 3.15Å; Y203-C250 WeakPolarHBondContact CE1-SG 3.38Å; Y203-L252 HydrophobicContact CD1-CD2 3.85Å; Y203-L252 HydrophobicContact CE1-CD2 3.57Å
204	M	97.1	Very high	98.4	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.054	15%	0.147	C	C	.	.	S	Bend	trans	-116.7	163.5	174.8	62.2	-175.6	72.3	0	0	109.9	L172 R173 V200 L201 Q208 L212 A253 G254	L172-M204 HydrophobicContact CB-CE 3.9Å; L172-M204 HydrophobicContact CD1-CE 4.17Å; R173-M204 HydrophobicContact CG-CB 4.3Å; V200-M204 HydrophobicContact CG1-CE 4.33Å; L201-M204 HydrophobicContact CD2-SD 4.42Å; L201-M204 WeakPolarHBondContact O-CG 3.38Å; L201-M204 PolarHBondContact O-N 3.39Å; M204-Q208 HydrophobicContact CB-CB 3.98Å; M204-Q208 HydrophobicContact CG-CB 4.14Å; M204-Q208 HydrophobicContact SD-CB 4.17Å; M204-L212 HydrophobicContact CE-CD2 4.27Å; M204-L212 HydrophobicContact SD-CD2 4.3Å; M204-A253 CarbonylContact O-C 3.59Å; M204-G254 WeakPolarHBondContact O-CA 3.3Å; M204-G254 PolarHBondContact O-N 2.61Å
205	T	98	Very high	98.4	Very high	53 Å²	53	29.9 Å²	29.9	33%	0.325	15%	0.151	S	C	.	.			trans	-62.7	157.8	-178.8	70.3	0	0	0	0	111	E207 Q208 S209	T205-E207 PolarHBondContact O-N 3.34Å; T205-Q208 PolarHBondContact O-N 3.49Å; T205-Q208 VanDerWaalsContact O-N 3.12Å; T205-Q208 VanDerWaalsContact OG1-CG 3.31Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.3Å; T205-Q208 PolarHBondContact OG1-N 2.77Å; T205-Q208 PolarHBondContact OG1-OE1 2.88Å; T205-S209 PolarHBondContact O-N 3.43Å; T205-S209 PolarHBondContact O-OG 3.46Å; T205-S209 VanDerWaalsContact O-OG 3.1Å
206	P	98.3	Very high	98.4	Very high	40 Å²	40	29.9 Å²	29.9	26%	0.26	15%	0.151	S	C	.	.	H	α-helix	trans	-53.8	-36.4	174.5	-29	37.6	0	0	0	112.9	S209 A210 E256 T257	P206-S209 PolarHBondContact O-OG 3.24Å; P206-S209 VanDerWaalsContact O-OG 3.13Å; P206-A210 WeakPolarHBondContact O-CB 3.41Å; P206-A210 PolarHBondContact O-N 3.12Å; P206-E256 HydrophobicContact CG-CB 4.43Å; P206-T257 HydrophobicContact CB-CG2 3.72Å; P206-T257 HydrophobicContact CG-CG2 4.03Å
207	E	98.5	Very high	98.4	Very high	142 Å²	142	29.9 Å²	29.9	66%	0.664	15%	0.151	S	C	*	.	H	α-helix	trans	-67.3	-45.8	176.8	-174.1	-179.7	171.7	0	0	112.1	T205 A210 N211	T205-E207 PolarHBondContact O-N 3.34Å; E207-A210 PolarHBondContact O-N 2.9Å; E207-N211 WeakPolarHBondContact O-CB 3.28Å; E207-N211 PolarHBondContact O-N 2.88Å; E207-N211 PolarHBondContact O-ND2 3.07Å
208	Q	98.6	Very high	98.4	Very high	60 Å²	60	34.1 Å²	34.1	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-45.5	179.3	-73.9	166.4	-20.2	0	0	111.8	R173 M204 T205 N211 L212	R173-Q208 HydrophobicContact CB-CG 4.41Å; R173-Q208 HydrophobicContact CG-CB 4.4Å; R173-Q208 HydrophobicContact CG-CG 4.28Å; M204-Q208 HydrophobicContact CB-CB 3.98Å; M204-Q208 HydrophobicContact CG-CB 4.14Å; M204-Q208 HydrophobicContact SD-CB 4.17Å; T205-Q208 PolarHBondContact O-N 3.49Å; T205-Q208 VanDerWaalsContact O-N 3.12Å; T205-Q208 VanDerWaalsContact OG1-CG 3.31Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.3Å; T205-Q208 PolarHBondContact OG1-N 2.77Å; T205-Q208 PolarHBondContact OG1-OE1 2.88Å; Q208-N211 PolarHBondContact O-N 3Å; Q208-L212 PolarHBondContact O-N 3.43Å
209	S	98.7	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66	-38.7	177	53.8	0	0	0	0	112.4	T205 P206 L212 L213	T205-S209 PolarHBondContact O-N 3.43Å; T205-S209 PolarHBondContact O-OG 3.46Å; T205-S209 VanDerWaalsContact O-OG 3.1Å; P206-S209 PolarHBondContact O-OG 3.24Å; P206-S209 VanDerWaalsContact O-OG 3.13Å; S209-L212 PolarHBondContact O-N 3.06Å; S209-L213 VanDerWaalsContact O-CG 3.32Å; S209-L213 WeakPolarHBondContact O-CG 3.39Å; S209-L213 PolarHBondContact O-N 2.95Å
210	A	98.8	Very high	98.4	Very high	20 Å²	20	33.9 Å²	33.9	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-43.9	172.7	0	0	0	0	0	111.9	P206 E207 L212 L213 K214 N271	P206-A210 WeakPolarHBondContact O-CB 3.41Å; P206-A210 PolarHBondContact O-N 3.12Å; E207-A210 PolarHBondContact O-N 2.9Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.77Å; A210-L213 PolarHBondContact O-N 3.37Å; A210-K214 WeakPolarHBondContact O-CB 3.38Å; A210-K214 PolarHBondContact O-N 2.9Å; A210-N271 PolarHBondContact O-OD1 3.45Å
211	N	98.8	Very high	98.3	Very high	73 Å²	73	40.3 Å²	40.3	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-43	176.4	-72	-26.6	0	0	0	111.8	L175 E207 Q208 K214 W215	L175-N211 HydrophobicContact CD1-CB 3.87Å; E207-N211 WeakPolarHBondContact O-CB 3.28Å; E207-N211 PolarHBondContact O-N 2.88Å; E207-N211 PolarHBondContact O-ND2 3.07Å; Q208-N211 PolarHBondContact O-N 3Å; N211-K214 PolarHBondContact O-N 3.36Å; N211-W215 WeakPolarHBondContact O-CB 3.26Å; N211-W215 PolarHBondContact O-N 2.75Å
212	L	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-44.6	176.3	-179.5	63.1	0	0	0	112.2	L97 L172 L175 L178 L201 M204 Q208 S209 A210 K214 W215 A216	L97-L212 HydrophobicContact CD1-CD1 4.42Å; L97-L212 HydrophobicContact CD1-CD2 4.23Å; L97-L212 HydrophobicContact CD1-CG 4.45Å; L172-L212 HydrophobicContact CB-CD2 4.28Å; L172-L212 HydrophobicContact CD1-CD2 4.45Å; L175-L212 HydrophobicContact CD2-CB 4.22Å; L175-L212 HydrophobicContact CD2-CD1 3.63Å; L178-L212 HydrophobicContact CD2-CD1 3.72Å; L201-L212 HydrophobicContact CD2-CD2 3.84Å; M204-L212 HydrophobicContact CE-CD2 4.27Å; M204-L212 HydrophobicContact SD-CD2 4.3Å; Q208-L212 PolarHBondContact O-N 3.43Å; S209-L212 PolarHBondContact O-N 3.06Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.77Å; L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 3.07Å; L212-W215 HydrophobicContact CD1-CE3 3.85Å; L212-W215 HydrophobicContact CD1-CZ3 4.18Å; L212-W215 PolarHBondContact O-N 2.68Å; L212-A216 PolarHBondContact O-N 3.07Å
213	L	98.9	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-42.5	175.8	-73.3	172.4	0	0	0	112	L201 S209 A210 A216 A217 F225 R267 L268 N271 W273	L201-L213 HydrophobicContact CD1-CD1 4.31Å; L201-L213 HydrophobicContact CD1-CD2 4.18Å; L201-L213 HydrophobicContact CD1-CG 4.31Å; S209-L213 VanDerWaalsContact O-CG 3.32Å; S209-L213 WeakPolarHBondContact O-CG 3.39Å; S209-L213 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.37Å; L213-A216 PolarHBondContact O-N 3.02Å; L213-A217 PolarHBondContact O-N 3.4Å; L213-F225 HydrophobicContact CD2-CD1 3.86Å; L213-F225 HydrophobicContact CD2-CD2 3.96Å; L213-F225 HydrophobicContact CD2-CE1 3.62Å; L213-F225 HydrophobicContact CD2-CE2 3.73Å; L213-F225 HydrophobicContact CD2-CG 4.03Å; L213-F225 HydrophobicContact CD2-CZ 3.56Å; L213-R267 HydrophobicContact CD1-CG 3.89Å; L213-L268 HydrophobicContact CD1-CD2 4.33Å; L213-L268 HydrophobicContact CD2-CD2 3.8Å; L213-N271 HydrophobicContact CB-CB 3.88Å; L213-W273 PolarHBondContact O-NE1 2.67Å
214	K	98.9	Very high	98.5	Very high	121 Å²	121	39.4 Å²	39.4	53%	0.526	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-40.2	179.4	-174.1	178.4	-177.7	177.9	0	112.4	A210 N211 L212 A217 S218 N271	A210-K214 WeakPolarHBondContact O-CB 3.38Å; A210-K214 PolarHBondContact O-N 2.9Å; N211-K214 PolarHBondContact O-N 3.36Å; L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 3.07Å; K214-A217 PolarHBondContact O-N 2.95Å; K214-S218 VanDerWaalsContact O-CB 3.26Å; K214-S218 WeakPolarHBondContact O-CB 3.47Å; K214-S218 PolarHBondContact O-N 3.21Å; K214-S218 PolarHBondContact O-OG 3.26Å; K214-N271 WeakPolarHBondContact CA-O 3.41Å; K214-N271 HydrophobicContact CB-CB 4.37Å
215	W	98.9	Very high	98.6	Very high	23 Å²	23	38.9 Å²	38.9	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-53.2	171.7	165.3	84.5	0	0	0	110	L175 L178 E179 L182 L195 N211 L212 A217 S218 S219	L175-W215 HydrophobicContact CD1-CB 4.03Å; L175-W215 HydrophobicContact CD2-CB 4.48Å; L175-W215 HydrophobicContact CD2-CG 4.5Å; L178-W215 HydrophobicContact CD2-CE3 4.34Å; L178-W215 HydrophobicContact CD2-CH2 4.03Å; L178-W215 HydrophobicContact CD2-CZ2 4.36Å; L178-W215 HydrophobicContact CD2-CZ3 4.01Å; L178-W215 HydrophobicContact CG-CH2 4.3Å; L178-W215 HydrophobicContact CG-CZ2 4.41Å; E179-W215 HydrophobicContact CB-CZ2 4.42Å; E179-W215 PolarHBondContact OE2-NE1 3.08Å; L182-W215 HydrophobicContact CD1-CH2 3.64Å; L182-W215 HydrophobicContact CD1-CZ2 3.94Å; L195-W215 HydrophobicContact CD2-CZ3 3.98Å; N211-W215 WeakPolarHBondContact O-CB 3.26Å; N211-W215 PolarHBondContact O-N 2.75Å; L212-W215 HydrophobicContact CD1-CE3 3.85Å; L212-W215 HydrophobicContact CD1-CZ3 4.18Å; L212-W215 PolarHBondContact O-N 2.68Å; W215-A217 PolarHBondContact O-N 3.38Å; W215-S218 CarbonylContact O-C 3.54Å; W215-S218 PolarHBondContact O-N 3.37Å; W215-S219 PolarHBondContact NE1-OG 2.88Å; W215-S219 WeakPolarHBondContact O-CB 3.42Å; W215-S219 PolarHBondContact O-N 3.5Å; W215-S219 PolarHBondContact O-OG 3.37Å
216	A	98.8	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-47	179.5	0	0	0	0	0	112.4	L195 L212 L213 S218 S219 F220 F225 W273	L195-A216 HydrophobicContact CD1-CB 4.27Å; L195-A216 HydrophobicContact CD2-CB 3.66Å; L212-A216 PolarHBondContact O-N 3.07Å; L213-A216 PolarHBondContact O-N 3.02Å; A216-S218 PolarHBondContact O-N 2.87Å; A216-S219 PolarHBondContact O-N 3.35Å; A216-F220 VanDerWaalsContact O-CD2 3.32Å; A216-F220 WeakPolarHBondContact O-CD2 3.23Å; A216-F225 HydrophobicContact CB-CD2 4.41Å; A216-F225 HydrophobicContact CB-CE2 4.43Å; A216-W273 HydrophobicContact CB-CZ2 4.05Å
217	A	98.7	Very high	98.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-31.5	177.6	0	0	0	0	0	113	L213 K214 W215 N271 W273 K322	L213-A217 PolarHBondContact O-N 3.4Å; K214-A217 PolarHBondContact O-N 2.95Å; W215-A217 PolarHBondContact O-N 3.38Å; A217-N271 WeakPolarHBondContact CB-O 3.45Å; A217-W273 HydrophobicContact CB-CZ2 4.37Å; A217-K322 HydrophobicContact CB-CD 4.19Å; A217-K322 VanDerWaalsContact O-CD 3.23Å; A217-K322 WeakPolarHBondContact O-CD 3.48Å; A217-K322 WeakPolarHBondContact O-CE 3.39Å; A217-K322 PolarHBondContact O-NZ 3.48Å
218	S	98.5	Very high	98.7	Very high	89 Å²	89	28.2 Å²	28.2	62%	0.622	15%	0.15	S	C	*	.	H	α-helix	trans	-86	-27.4	-177.5	-57.1	0	0	0	0	112.8	K214 W215 A216	K214-S218 VanDerWaalsContact O-CB 3.26Å; K214-S218 WeakPolarHBondContact O-CB 3.47Å; K214-S218 PolarHBondContact O-N 3.21Å; K214-S218 PolarHBondContact O-OG 3.26Å; W215-S218 CarbonylContact O-C 3.54Å; W215-S218 PolarHBondContact O-N 3.37Å; A216-S218 PolarHBondContact O-N 2.87Å
219	S	98.6	Very high	98.7	Very high	24 Å²	24	25.4 Å²	25.4	17%	0.168	14%	0.137	C	C	.	.	H	α-helix	trans	-74.4	-25.7	-179.2	-62	0	0	0	0	113.8	T189 W215 A216	T189-S219 VanDerWaalsContact CB-O 3.26Å; T189-S219 WeakPolarHBondContact CB-O 3.43Å; T189-S219 WeakPolarHBondContact CG2-O 3.41Å; W215-S219 PolarHBondContact NE1-OG 2.88Å; W215-S219 WeakPolarHBondContact O-CB 3.42Å; W215-S219 PolarHBondContact O-N 3.5Å; W215-S219 PolarHBondContact O-OG 3.37Å; A216-S219 PolarHBondContact O-N 3.35Å
220	F	98.5	Very high	98.7	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.013	14%	0.138	C	C	.	.			trans	-126.3	138.7	-172.7	-56.1	-74.9	0	0	0	111.8	I95 M187 T189 T193 L195 A216 A223 K322	I95-F220 HydrophobicContact CD1-CE2 4.31Å; I95-F220 HydrophobicContact CD1-CZ 3.82Å; M187-F220 HydrophobicContact CE-CE1 4.44Å; M187-F220 HydrophobicContact CE-CZ 4.04Å; M187-F220 HydrophobicContact SD-CE1 4.3Å; M187-F220 HydrophobicContact SD-CZ 3.72Å; T189-F220 HydrophobicContact CG2-CE1 4.48Å; T193-F220 HydrophobicContact CG2-CD1 4.34Å; T193-F220 HydrophobicContact CG2-CD2 4.42Å; T193-F220 HydrophobicContact CG2-CE1 3.92Å; T193-F220 HydrophobicContact CG2-CE2 4.04Å; T193-F220 HydrophobicContact CG2-CZ 3.77Å; T193-F220 WeakPolarHBondContact OG1-CD1 3.11Å; T193-F220 VanDerWaalsContact OG1-CE1 3.28Å; T193-F220 WeakPolarHBondContact OG1-CE1 3.45Å; L195-F220 HydrophobicContact CD1-CD2 4.1Å; L195-F220 HydrophobicContact CD1-CE2 4.08Å; L195-F220 HydrophobicContact CD2-CE2 4.3Å; A216-F220 VanDerWaalsContact O-CD2 3.32Å; A216-F220 WeakPolarHBondContact O-CD2 3.23Å; F220-A223 HydrophobicContact CB-CB 3.84Å; F220-K322 PolarHBondContact O-NZ 3.03Å
221	E	96.6	Very high	98.7	Very high	149 Å²	149	24.6 Å²	24.6	70%	0.696	13%	0.13	S	C	*	.	S	Bend	trans	-74	-47.8	174.5	-172.3	176.6	172.6	0	0	111.3
222	A	98.3	Very high	98.6	Very high	19 Å²	19	23.7 Å²	23.7	16%	0.157	13%	0.125	C	C	.	.	S	Bend	trans	-113.4	117.5	173.7	0	0	0	0	0	110.2	P192 T193 K322	P192-A222 WeakPolarHBondContact CA-O 3.13Å; P192-A222 HydrophobicContact CB-CB 4.48Å; T193-A222 PolarHBondContact N-O 3.01Å; T193-A222 VanDerWaalsContact N-O 3.14Å; A222-K322 WeakPolarHBondContact CA-O 3.43Å
223	A	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159	-178.6	0	0	0	0	0	113.5	T193 L195 F220 W273 T321 K322	T193-A223 WeakPolarHBondContact O-CA 3.38Å; T193-A223 WeakPolarHBondContact O-CB 3.25Å; L195-A223 HydrophobicContact CD1-CB 4.48Å; F220-A223 HydrophobicContact CB-CB 3.84Å; A223-W273 HydrophobicContact CB-CH2 3.89Å; A223-W273 HydrophobicContact CB-CZ3 3.99Å; A223-T321 WeakPolarHBondContact O-CA 3.36Å; A223-K322 PolarHBondContact N-O 3.36Å; A223-K322 PolarHBondContact O-N 3.13Å
224	M	98.9	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142	167.7	-177.4	176.8	176.1	0	0	109.3	L80 F84 T193 L194 L195 I226 W319 A320 T321 I332	L80-M224 HydrophobicContact CB-CE 4.05Å; L80-M224 HydrophobicContact CD1-CE 4.45Å; L80-M224 HydrophobicContact CD2-CE 4.07Å; L80-M224 HydrophobicContact CG-CE 4.43Å; F84-M224 HydrophobicContact CB-SD 4.05Å; F84-M224 HydrophobicContact CD2-CB 3.72Å; F84-M224 HydrophobicContact CD2-CG 4.41Å; F84-M224 HydrophobicContact CD2-SD 3.82Å; F84-M224 HydrophobicContact CE2-CB 3.78Å; F84-M224 HydrophobicContact CG-SD 4.3Å; T193-M224 PolarHBondContact O-N 3.12Å; L194-M224 CarbonylContact C-O 3.52Å; L194-M224 WeakPolarHBondContact CA-O 3.12Å; L194-M224 HydrophobicContact CD1-CB 3.83Å; L194-M224 HydrophobicContact CD1-CG 3.77Å; L194-M224 HydrophobicContact CD1-SD 4.08Å; L195-M224 PolarHBondContact N-O 3.21Å; M224-I226 HydrophobicContact CE-CD1 4.25Å; M224-I226 HydrophobicContact CE-CG1 3.91Å; M224-W319 HydrophobicContact CE-CB 3.69Å; M224-W319 HydrophobicContact CE-CG 3.92Å; M224-A320 CarbonylContact C-O 3.38Å; M224-A320 VanDerWaalsContact CA-O 3.25Å; M224-A320 WeakPolarHBondContact CA-O 3.36Å; M224-A320 WeakPolarHBondContact CG-O 3.41Å; M224-T321 HydrophobicContact CB-CG2 4.49Å; M224-T321 HydrophobicContact CG-CG2 4.23Å; M224-I332 HydrophobicContact CE-CG2 3.74Å; M224-I332 HydrophobicContact SD-CD1 3.85Å; M224-I332 HydrophobicContact SD-CG2 4.26Å
225	F	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	171	-154.9	-85.8	0	0	0	109.3	L97 L195 A197 L201 L213 A216 N227 L268 W273 W319 A320	L97-F225 HydrophobicContact CD1-CE2 4.07Å; L97-F225 HydrophobicContact CD1-CZ 4.22Å; L195-F225 HydrophobicContact CB-CD2 3.66Å; L195-F225 HydrophobicContact CB-CE2 3.83Å; L195-F225 CarbonylContact O-C 3.53Å; L195-F225 WeakPolarHBondContact O-CA 3.38Å; A197-F225 HydrophobicContact CB-CE1 3.76Å; A197-F225 HydrophobicContact CB-CZ 3.81Å; L201-F225 HydrophobicContact CD1-CE1 4.12Å; L201-F225 HydrophobicContact CD1-CZ 4.38Å; L213-F225 HydrophobicContact CD2-CD1 3.86Å; L213-F225 HydrophobicContact CD2-CD2 3.96Å; L213-F225 HydrophobicContact CD2-CE1 3.62Å; L213-F225 HydrophobicContact CD2-CE2 3.73Å; L213-F225 HydrophobicContact CD2-CG 4.03Å; L213-F225 HydrophobicContact CD2-CZ 3.56Å; A216-F225 HydrophobicContact CB-CD2 4.41Å; A216-F225 HydrophobicContact CB-CE2 4.43Å; F225-N227 HydrophobicContact CD1-CB 4.16Å; F225-N227 HydrophobicContact CE1-CB 4.07Å; F225-L268 HydrophobicContact CD1-CD2 4.3Å; F225-W273 HydrophobicContact CB-CD2 4.34Å; F225-W273 HydrophobicContact CB-CE3 4.26Å; F225-W273 HydrophobicContact CB-CH2 3.51Å; F225-W273 HydrophobicContact CB-CZ2 3.55Å; F225-W273 HydrophobicContact CB-CZ3 3.86Å; F225-W273 HydrophobicContact CD2-CH2 4.12Å; F225-W273 AromaticContact CD2-CZ2 3.64Å; F225-W273 HydrophobicContact CD2-CZ2 3.64Å; F225-W273 HydrophobicContact CG-CH2 4.3Å; F225-W273 AromaticContact CG-CZ2 3.98Å; F225-W273 HydrophobicContact CG-CZ2 3.98Å; F225-W319 CarbonylContact O-C 3.43Å; F225-W319 WeakPolarHBondContact O-CA 3.45Å; F225-A320 PolarHBondContact N-O 3.46Å; F225-A320 PolarHBondContact O-N 3Å
226	I	98.9	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.4	168.3	-64.1	168.6	0	0	0	107.8	V77 L80 I81 L194 L195 I196 A197 M224 L317 W319	V77-I226 HydrophobicContact CG2-CG2 4.29Å; L80-I226 HydrophobicContact CB-CD1 3.46Å; L80-I226 VanDerWaalsContact CB-CD1 3.46Å; L80-I226 HydrophobicContact CB-CG1 4.16Å; L80-I226 HydrophobicContact CD1-CD1 4.16Å; L80-I226 HydrophobicContact CD1-CG1 4.04Å; L80-I226 HydrophobicContact CD1-CG2 4.27Å; L80-I226 HydrophobicContact CG-CD1 4.48Å; I81-I226 HydrophobicContact CG1-CD1 4.19Å; L194-I226 HydrophobicContact CD1-CD1 3.69Å; L194-I226 HydrophobicContact CD1-CG1 3.82Å; L194-I226 HydrophobicContact CD2-CD1 4.15Å; L194-I226 HydrophobicContact CG-CD1 4.47Å; L195-I226 PolarHBondContact O-N 3.33Å; I196-I226 HydrophobicContact CG1-CD1 4.46Å; A197-I226 PolarHBondContact N-O 3.04Å; M224-I226 HydrophobicContact CE-CD1 4.25Å; M224-I226 HydrophobicContact CE-CG1 3.91Å; I226-L317 HydrophobicContact CG2-CD1 3.77Å; I226-W319 HydrophobicContact CG1-CB 4.44Å
227	N	98.9	Very high	98	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.6	172.8	174.1	55	0	0	0	109.4	A197 F225 R267 C318	A197-N227 WeakPolarHBondContact O-CA 3.28Å; F225-N227 HydrophobicContact CD1-CB 4.16Å; F225-N227 HydrophobicContact CE1-CB 4.07Å; N227-R267 PolarHBondContact ND2-NH2 2.88Å; N227-C318 HydrophobicContact CB-CB 4.26Å; N227-C318 PolarHBondContact N-O 3.44Å; N227-C318 PolarHBondContact O-N 2.91Å
228	Y	98.9	Very high	97.9	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.5	169	170.7	-84.7	0	0	0	108.2	R73 A197 E198 C199 M281 Y315 C316	R73-Y228 HydrophobicContact CB-CD2 4.32Å; R73-Y228 HydrophobicContact CB-CE1 4.34Å; R73-Y228 HydrophobicContact CB-CE2 3.66Å; R73-Y228 HydrophobicContact CG-CD1 3.89Å; R73-Y228 HydrophobicContact CG-CD2 3.96Å; R73-Y228 HydrophobicContact CG-CE1 3.65Å; R73-Y228 HydrophobicContact CG-CE2 3.65Å; R73-Y228 HydrophobicContact CG-CG 4.07Å; A197-Y228 PolarHBondContact O-N 3.16Å; E198-Y228 HydrophobicContact CG-CD1 4.31Å; E198-Y228 HydrophobicContact CG-CG 4.5Å; C199-Y228 VanDerWaalsContact CA-O 3.3Å; C199-Y228 WeakPolarHBondContact CA-O 3.36Å; C199-Y228 PolarHBondContact N-O 2.79Å; C199-Y228 VanDerWaalsContact SG-CD1 3.55Å; C199-Y228 WeakPolarHBondContact SG-CE1 3.48Å; Y228-M281 HydrophobicContact CD2-CE 4.47Å; Y228-M281 HydrophobicContact CD2-SD 3.89Å; Y228-M281 HydrophobicContact CE2-CE 3.92Å; Y228-M281 HydrophobicContact CE2-CG 3.73Å; Y228-M281 HydrophobicContact CE2-SD 3.55Å; Y228-M281 VanDerWaalsContact CE2-SD 3.55Å; Y228-Y315 AromaticContact CE1-CD1 3.7Å; Y228-Y315 HydrophobicContact CE1-CD1 3.7Å; Y228-Y315 HydrophobicContact CE1-CE1 4.13Å; Y228-Y315 AromaticContact CZ-CD1 3.6Å; Y228-Y315 VanDerWaalsContact OH-CD1 3.3Å; Y228-Y315 WeakPolarHBondContact OH-CD1 3.29Å; Y228-C316 WeakPolarHBondContact CA-O 3.33Å; Y228-C316 WeakPolarHBondContact CD2-O 3.28Å
229	E	98.6	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-170.1	174	65.8	-177.1	-164.1	0	0	110.8	L201 V202 Q264 R267 Y315 C316	L201-E229 WeakPolarHBondContact CB-OE2 3.28Å; V202-E229 PolarHBondContact N-OE2 2.7Å; E229-Q264 PolarHBondContact OE1-NE2 3.3Å; E229-Q264 PolarHBondContact OE1-OE1 3.49Å; E229-R267 IonicContact OE1-CZ 3.26Å; E229-R267 IonicContact OE1-NH1 3.29Å; E229-R267 PolarHBondContact OE1-NH1 2.94Å; E229-R267 IonicContact OE1-NH2 2.77Å; E229-R267 PolarHBondContact OE1-NH2 3.39Å; E229-R267 IonicContact OE2-NH2 2.88Å; E229-Y315 CarbonylContact O-C 3.12Å; E229-Y315 WeakPolarHBondContact O-CA 3.48Å; E229-C316 PolarHBondContact N-O 3.27Å; E229-C316 PolarHBondContact O-N 3.01Å
230	Q	98.6	Very high	97.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	155.1	179.9	-67.3	82.3	-8.7	0	0	113.1	M233 M241 C258 Q264 H314 Y315	Q230-M233 HydrophobicContact CB-CG 3.72Å; Q230-M233 HydrophobicContact CB-SD 3.72Å; Q230-M233 HydrophobicContact CG-CE 4.42Å; Q230-M233 HydrophobicContact CG-SD 3.96Å; Q230-M241 HydrophobicContact CG-CE 3.48Å; Q230-M241 VanDerWaalsContact CG-CE 3.48Å; Q230-M241 HydrophobicContact CG-SD 4.13Å; Q230-M241 VanDerWaalsContact NE2-CE 3.34Å; Q230-C258 HydrophobicContact CB-CB 4.19Å; Q230-C258 WeakPolarHBondContact O-CB 3.5Å; Q230-C258 PolarHBondContact O-SG 2.97Å; Q230-Q264 PolarHBondContact O-NE2 3.2Å; Q230-Q264 VanDerWaalsContact O-NE2 3.12Å; Q230-H314 CarbonylContact C-O 3.49Å; Q230-H314 WeakPolarHBondContact CA-O 3.38Å; Q230-Y315 HydrophobicContact CG-CD1 4.35Å; Q230-Y315 HydrophobicContact CG-CE1 3.95Å
231	V	98.7	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.			trans	-147.2	164.6	172.1	72.7	0	0	0	0	109.4	M233 C258 L261 Q264 R313 H314 C316	V231-M233 PolarHBondContact O-N 3.5Å; V231-C258 CarbonylContact C-O 3.57Å; V231-C258 WeakPolarHBondContact CA-O 3.43Å; V231-L261 HydrophobicContact CG2-CD2 4.01Å; V231-L261 HydrophobicContact CG2-CG 4.22Å; V231-Q264 HydrophobicContact CG2-CG 4.46Å; V231-R313 WeakPolarHBondContact CG1-O 3.3Å; V231-H314 PolarHBondContact N-O 3.47Å; V231-H314 CarbonylContact O-C 3.43Å; V231-H314 VanDerWaalsContact O-CA 3.3Å; V231-H314 WeakPolarHBondContact O-CA 3.49Å; V231-C316 HydrophobicContact CB-CB 3.89Å; V231-C316 HydrophobicContact CG1-CB 3.85Å; V231-C316 HydrophobicContact CG2-CB 4.39Å
232	N	98.2	Very high	97.3	Very high	53 Å²	53	33 Å²	33	28%	0.283	17%	0.172	S	C	.	.			trans	59.5	27.7	177.5	-57	-34.7	0	0	0	113.9	G234 C258 K259 R313 H314	N232-G234 PolarHBondContact O-N 3.32Å; N232-C258 PolarHBondContact N-O 3Å; N232-K259 WeakPolarHBondContact CA-O 3.16Å; N232-R313 PolarHBondContact ND2-O 2.99Å; N232-H314 PolarHBondContact O-CD2 3.16Å; N232-H314 PolarHBondContact O-NE2 3.11Å
233	M	97.9	Very high	97.1	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.03	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	0.2	-172.8	-66.7	-62.1	-70	0	0	115.3	Q230 V231 G238 Q239 M241 I242 L252 V255 C258	Q230-M233 HydrophobicContact CB-CG 3.72Å; Q230-M233 HydrophobicContact CB-SD 3.72Å; Q230-M233 HydrophobicContact CG-CE 4.42Å; Q230-M233 HydrophobicContact CG-SD 3.96Å; V231-M233 PolarHBondContact O-N 3.5Å; M233-G238 WeakPolarHBondContact CE-O 3.27Å; M233-Q239 PolarHBondContact O-NE2 3Å; M233-M241 HydrophobicContact CE-CB 4.15Å; M233-M241 HydrophobicContact CE-CG 4.14Å; M233-M241 HydrophobicContact CE-SD 3.92Å; M233-M241 HydrophobicContact SD-SD 3.94Å; M233-I242 HydrophobicContact CE-CD1 4.04Å; M233-I242 HydrophobicContact CE-CG1 3.58Å; M233-L252 HydrophobicContact CE-CD1 4.31Å; M233-V255 HydrophobicContact CB-CG2 3.8Å; M233-V255 HydrophobicContact CE-CG2 4.06Å; M233-V255 HydrophobicContact CG-CG2 4.01Å; M233-C258 HydrophobicContact CB-CB 4.19Å; M233-C258 HydrophobicContact CG-CB 3.66Å; M233-C258 PolarHBondContact N-O 3.45Å
234	G	96	Very high	96.7	Very high	66 Å²	66	40 Å²	40	68%	0.68	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.1	-178.8	0	0	0	0	0	115	N232	N232-G234 PolarHBondContact O-N 3.32Å
235	D	96.1	Very high	96.2	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	21%	0.211	S	C	.	.	S	Bend	trans	-90.7	-179	-179	85.3	5	0	0	0	113	F237 G238 Q239 H314	D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 2.89Å; D235-F237 WeakPolarHBondContact OD1-CA 3.24Å; D235-F237 WeakPolarHBondContact OD1-CB 3.4Å; D235-F237 PolarHBondContact OD1-N 2.89Å; D235-G238 PolarHBondContact O-N 3.33Å; D235-G238 PolarHBondContact OD1-N 3.25Å; D235-Q239 WeakPolarHBondContact O-CG 3.47Å; D235-Q239 PolarHBondContact O-N 2.9Å; D235-H314 IonicContact OD1-CE1 3.08Å; D235-H314 IonicContact OD1-NE2 3.35Å; D235-H314 PolarHBondContact OD1-NE2 2.94Å; D235-H314 VanDerWaalsContact OD1-NE2 3.08Å; D235-H314 IonicContact OD2-CE1 2.75Å; D235-H314 PolarHBondContact OD2-CE1 2.78Å; D235-H314 IonicContact OD2-NE2 2.95Å; D235-H314 PolarHBondContact OD2-NE2 3.3Å
236	R	96.4	Very high	95.8	Very high	209 Å²	209	48 Å²	48	79%	0.789	24%	0.235	S	C	*	.	H	α-helix	trans	-61.7	-37.2	-179.7	-175.8	176	-179.4	179.5	-0.2	112.9	Q239 I240	R236-Q239 PolarHBondContact O-N 3.36Å; R236-I240 HydrophobicContact CG-CD1 4.19Å; R236-I240 WeakPolarHBondContact O-CG1 3.41Å; R236-I240 PolarHBondContact O-N 2.79Å; R236-I240 VanDerWaalsContact O-N 3.13Å
237	F	95.8	Very high	95.3	Very high	41 Å²	41	55.7 Å²	55.7	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-69.7	-44.1	178.9	-179.8	-92.2	0	0	0	110.6	D235 Q239 I240 M241 Q310 H314	D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 2.89Å; D235-F237 WeakPolarHBondContact OD1-CA 3.24Å; D235-F237 WeakPolarHBondContact OD1-CB 3.4Å; D235-F237 PolarHBondContact OD1-N 2.89Å; F237-Q239 VanDerWaalsContact C-N 3.3Å; F237-Q239 PolarHBondContact O-N 3.27Å; F237-I240 PolarHBondContact O-N 3.5Å; F237-I240 VanDerWaalsContact O-N 3.14Å; F237-M241 WeakPolarHBondContact O-CB 3.27Å; F237-M241 PolarHBondContact O-N 3.32Å; F237-Q310 HydrophobicContact CB-CG 4.27Å; F237-Q310 HydrophobicContact CD1-CG 4.15Å; F237-Q310 HydrophobicContact CD2-CG 3.48Å; F237-Q310 VanDerWaalsContact CD2-CG 3.48Å; F237-Q310 VanDerWaalsContact CD2-OE1 3.29Å; F237-Q310 HydrophobicContact CE1-CG 4.33Å; F237-Q310 HydrophobicContact CE2-CG 3.68Å; F237-Q310 HydrophobicContact CG-CG 3.7Å; F237-Q310 HydrophobicContact CZ-CG 4.1Å; F237-H314 HydrophobicContact CD1-CB 4.13Å; F237-H314 AromaticContact CD1-CD2 3.65Å; F237-H314 AromaticContact CD1-CE1 3.44Å; F237-H314 VanDerWaalsContact CD1-CE1 3.44Å; F237-H314 WeakPolarHBondContact CD1-CE1 3.24Å; F237-H314 AromaticContact CD1-CG 3.42Å; F237-H314 VanDerWaalsContact CD1-CG 3.42Å; F237-H314 AromaticContact CD1-ND1 3.3Å; F237-H314 VanDerWaalsContact CD1-ND1 3.3Å; F237-H314 WeakPolarHBondContact CD1-ND1 3.46Å; F237-H314 AromaticContact CD1-NE2 3.65Å; F237-H314 HydrophobicContact CE1-CB 3.93Å; F237-H314 AromaticContact CE1-CG 3.71Å; F237-H314 AromaticContact CE1-ND1 3.71Å; F237-H314 AromaticContact CG-CE1 3.94Å
238	G	96.4	Very high	94.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-53.8	-44.7	171.9	0	0	0	0	0	112.7	M233 D235 I240 M241 I242	M233-G238 WeakPolarHBondContact CE-O 3.27Å; D235-G238 PolarHBondContact O-N 3.33Å; D235-G238 PolarHBondContact OD1-N 3.25Å; G238-I240 PolarHBondContact O-N 3.07Å; G238-M241 WeakPolarHBondContact O-CB 3.42Å; G238-M241 PolarHBondContact O-N 3.18Å; G238-I242 VanDerWaalsContact O-CG1 3.29Å; G238-I242 WeakPolarHBondContact O-CG1 3.39Å; G238-I242 PolarHBondContact O-N 3.16Å
239	Q	95.3	Very high	94	Very high	104 Å²	104	69 Å²	69	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176	-64.9	-51.1	-60.6	0	0	113	M233 D235 R236 F237 M241 I242 E243	M233-Q239 PolarHBondContact O-NE2 3Å; D235-Q239 WeakPolarHBondContact O-CG 3.47Å; D235-Q239 PolarHBondContact O-N 2.9Å; R236-Q239 PolarHBondContact O-N 3.36Å; F237-Q239 VanDerWaalsContact C-N 3.3Å; F237-Q239 PolarHBondContact O-N 3.27Å; Q239-M241 VanDerWaalsContact C-N 3.3Å; Q239-M241 PolarHBondContact O-N 3.21Å; Q239-I242 PolarHBondContact O-N 3.42Å; Q239-E243 PolarHBondContact O-N 3.13Å
240	I	95.1	Very high	93.5	Very high	76 Å²	76	69.2 Å²	69.2	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-40.9	175.5	-69.2	165.5	0	0	0	110.5	R236 F237 G238 E243 N244	R236-I240 HydrophobicContact CG-CD1 4.19Å; R236-I240 WeakPolarHBondContact O-CG1 3.41Å; R236-I240 PolarHBondContact O-N 2.79Å; R236-I240 VanDerWaalsContact O-N 3.13Å; F237-I240 PolarHBondContact O-N 3.5Å; F237-I240 VanDerWaalsContact O-N 3.14Å; G238-I240 PolarHBondContact O-N 3.07Å; I240-E243 PolarHBondContact O-N 3.37Å; I240-N244 WeakPolarHBondContact O-CB 3.38Å; I240-N244 VanDerWaalsContact O-CG 3.24Å; I240-N244 PolarHBondContact O-N 3.39Å; I240-N244 PolarHBondContact O-ND2 3.04Å
241	M	94.4	Very high	93.1	Very high	23 Å²	23	71.4 Å²	71.4	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-44.5	177.9	-178	177.2	176.6	0	0	111.9	Q230 M233 F237 G238 Q239 N244 L245 Y315	Q230-M241 HydrophobicContact CG-CE 3.48Å; Q230-M241 VanDerWaalsContact CG-CE 3.48Å; Q230-M241 HydrophobicContact CG-SD 4.13Å; Q230-M241 VanDerWaalsContact NE2-CE 3.34Å; M233-M241 HydrophobicContact CE-CB 4.15Å; M233-M241 HydrophobicContact CE-CG 4.14Å; M233-M241 HydrophobicContact CE-SD 3.92Å; M233-M241 HydrophobicContact SD-SD 3.94Å; F237-M241 WeakPolarHBondContact O-CB 3.27Å; F237-M241 PolarHBondContact O-N 3.32Å; G238-M241 WeakPolarHBondContact O-CB 3.42Å; G238-M241 PolarHBondContact O-N 3.18Å; Q239-M241 VanDerWaalsContact C-N 3.3Å; Q239-M241 PolarHBondContact O-N 3.21Å; M241-N244 PolarHBondContact O-N 3.32Å; M241-L245 HydrophobicContact CE-CD1 4.23Å; M241-L245 HydrophobicContact CG-CD1 4.26Å; M241-L245 WeakPolarHBondContact O-CG 3.39Å; M241-L245 PolarHBondContact O-N 2.98Å; M241-L245 VanDerWaalsContact O-N 3.08Å; M241-Y315 HydrophobicContact CE-CE1 4.42Å; M241-Y315 HydrophobicContact CE-CE2 3.9Å; M241-Y315 WeakPolarHBondContact CE-OH 3.47Å
242	I	94	Very high	92.8	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.046	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-47.9	175	-66.2	161.5	0	0	0	110.3	M233 G238 Q239 N244 L245 R246 L252 V255	M233-I242 HydrophobicContact CE-CD1 4.04Å; M233-I242 HydrophobicContact CE-CG1 3.58Å; G238-I242 VanDerWaalsContact O-CG1 3.29Å; G238-I242 WeakPolarHBondContact O-CG1 3.39Å; G238-I242 PolarHBondContact O-N 3.16Å; Q239-I242 PolarHBondContact O-N 3.42Å; I242-N244 VanDerWaalsContact C-N 3.32Å; I242-N244 PolarHBondContact O-N 2.68Å; I242-L245 PolarHBondContact O-N 3.32Å; I242-R246 WeakPolarHBondContact O-CG 3.33Å; I242-R246 PolarHBondContact O-N 3.19Å; I242-L252 HydrophobicContact CG1-CD1 4.47Å; I242-V255 HydrophobicContact CD1-CG1 4.41Å; I242-V255 HydrophobicContact CD1-CG2 3.73Å; I242-V255 HydrophobicContact CG1-CG2 4.03Å
243	E	93.6	Very high	92.6	Very high	95 Å²	95	70.4 Å²	70.4	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-42.1	179.4	-166.2	-171.6	163	0	0	111.8	Q239 I240 L245 R246 R247	Q239-E243 PolarHBondContact O-N 3.13Å; I240-E243 PolarHBondContact O-N 3.37Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 2.76Å; E243-R246 PolarHBondContact O-N 2.94Å; E243-R247 WeakPolarHBondContact O-CG 3.42Å; E243-R247 PolarHBondContact O-N 3.09Å; E243-R247 VanDerWaalsContact O-N 3.07Å; E243-R247 IonicContact OE1-CZ 2.87Å; E243-R247 IonicContact OE1-NE 3.86Å; E243-R247 PolarHBondContact OE1-NE 2.98Å; E243-R247 IonicContact OE1-NH2 3.16Å; E243-R247 PolarHBondContact OE1-NH2 3.31Å
244	N	90.3	Very high	92.5	Very high	72 Å²	72	70.1 Å²	70.1	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-37.7	177.7	-77.8	-23.7	0	0	0	112.9	I240 M241 I242	I240-N244 WeakPolarHBondContact O-CB 3.38Å; I240-N244 VanDerWaalsContact O-CG 3.24Å; I240-N244 PolarHBondContact O-N 3.39Å; I240-N244 PolarHBondContact O-ND2 3.04Å; M241-N244 PolarHBondContact O-N 3.32Å; I242-N244 VanDerWaalsContact C-N 3.32Å; I242-N244 PolarHBondContact O-N 2.68Å
245	L	88.9	Confident	92.5	Very high	30 Å²	30	68.2 Å²	68.2	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-72.6	-41	177.2	-72.4	167	0	0	0	111.8	M241 I242 E243 R247 R248 Q249 C250 L252	M241-L245 HydrophobicContact CE-CD1 4.23Å; M241-L245 HydrophobicContact CG-CD1 4.26Å; M241-L245 WeakPolarHBondContact O-CG 3.39Å; M241-L245 PolarHBondContact O-N 2.98Å; M241-L245 VanDerWaalsContact O-N 3.08Å; I242-L245 PolarHBondContact O-N 3.32Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 2.76Å; L245-R247 VanDerWaalsContact C-N 3.28Å; L245-R247 PolarHBondContact O-N 3.24Å; L245-R248 CarbonylContact O-C 3.59Å; L245-R248 WeakPolarHBondContact O-CA 3.48Å; L245-R248 WeakPolarHBondContact O-CB 3.46Å; L245-R248 PolarHBondContact O-N 3.02Å; L245-Q249 PolarHBondContact O-N 3.26Å; L245-C250 CarbonylContact C-O 3.57Å; L245-C250 WeakPolarHBondContact CB-O 3.3Å; L245-C250 PolarHBondContact O-N 2.94Å; L245-C250 VanDerWaalsContact O-N 3.09Å; L245-L252 HydrophobicContact CD1-CD1 3.61Å; L245-L252 HydrophobicContact CD1-CD2 3.99Å; L245-L252 HydrophobicContact CD1-CG 3.9Å
246	R	89.9	Confident	92.4	Very high	136 Å²	136	72.5 Å²	72.5	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-59.2	-37.1	174.1	-75.4	177.8	173.5	160.2	0.9	112.9	I242 E243 R248 Q249 C250 D251	I242-R246 WeakPolarHBondContact O-CG 3.33Å; I242-R246 PolarHBondContact O-N 3.19Å; E243-R246 PolarHBondContact O-N 2.94Å; R246-R248 PolarHBondContact O-N 3.38Å; R246-Q249 WeakPolarHBondContact O-CA 3.48Å; R246-Q249 PolarHBondContact O-N 3Å; R246-C250 PolarHBondContact N-O 3.3Å; R246-D251 IonicContact CZ-OD1 3.44Å; R246-D251 IonicContact NE-OD1 2.68Å; R246-D251 PolarHBondContact NE-OD1 3.45Å; R246-D251 IonicContact NH2-OD1 3.47Å; R246-D251 PolarHBondContact NH2-OD1 2.91Å; R246-D251 VanDerWaalsContact NH2-OD1 3.16Å
247	R	89.2	Confident	92.3	Very high	163 Å²	163	63.6 Å²	63.6	62%	0.615	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.8	173.9	-71.7	173.2	-175.8	-167.6	2.1	113.2	E243 L245 Q249	E243-R247 WeakPolarHBondContact O-CG 3.42Å; E243-R247 PolarHBondContact O-N 3.09Å; E243-R247 VanDerWaalsContact O-N 3.07Å; E243-R247 IonicContact OE1-CZ 2.87Å; E243-R247 IonicContact OE1-NE 3.86Å; E243-R247 PolarHBondContact OE1-NE 2.98Å; E243-R247 IonicContact OE1-NH2 3.16Å; E243-R247 PolarHBondContact OE1-NH2 3.31Å; L245-R247 VanDerWaalsContact C-N 3.28Å; L245-R247 PolarHBondContact O-N 3.24Å; R247-Q249 VanDerWaalsContact C-N 3.34Å; R247-Q249 PolarHBondContact O-NE2 3Å; R247-Q249 VanDerWaalsContact O-NE2 3.11Å
248	R	82.7	Confident	92.4	Very high	151 Å²	151	61.6 Å²	61.6	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	20.1	173.5	-56.2	176.7	-173.8	-173.5	1.8	112.4	D32 L245 R246 C250	D32-R248 IonicContact OD2-NH1 3.16Å; L245-R248 CarbonylContact O-C 3.59Å; L245-R248 WeakPolarHBondContact O-CA 3.48Å; L245-R248 WeakPolarHBondContact O-CB 3.46Å; L245-R248 PolarHBondContact O-N 3.02Å; R246-R248 PolarHBondContact O-N 3.38Å; R248-C250 PolarHBondContact O-N 3.37Å; R248-C250 VanDerWaalsContact O-N 3.15Å
249	Q	87.7	Confident	92.5	Very high	139 Å²	139	68.9 Å²	68.9	65%	0.65	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	23.7	-179	-59.7	72.1	42.6	0	0	113.5	G25 L245 R246 R247	G25-Q249 VanDerWaalsContact CA-O 3.3Å; G25-Q249 WeakPolarHBondContact CA-O 3.42Å; L245-Q249 PolarHBondContact O-N 3.26Å; R246-Q249 WeakPolarHBondContact O-CA 3.48Å; R246-Q249 PolarHBondContact O-N 3Å; R247-Q249 VanDerWaalsContact C-N 3.34Å; R247-Q249 PolarHBondContact O-NE2 3Å; R247-Q249 VanDerWaalsContact O-NE2 3.11Å
250	C	87.6	Confident	92.7	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.027	30%	0.304	C	S	.	.			trans	-113.2	100	178.9	177.3	0	0	0	0	108.9	T29 Y203 L245 R246 R248	T29-C250 HydrophobicContact CG2-CB 4.43Å; T29-C250 WeakPolarHBondContact CG2-SG 3.39Å; Y203-C250 WeakPolarHBondContact CE1-SG 3.38Å; L245-C250 CarbonylContact C-O 3.57Å; L245-C250 WeakPolarHBondContact CB-O 3.3Å; L245-C250 PolarHBondContact O-N 2.94Å; L245-C250 VanDerWaalsContact O-N 3.09Å; R246-C250 PolarHBondContact N-O 3.3Å; R248-C250 PolarHBondContact O-N 3.37Å; R248-C250 VanDerWaalsContact O-N 3.15Å
251	D	90.3	Very high	92.8	Very high	50 Å²	50	63.7 Å²	63.7	27%	0.267	30%	0.295	S	S	.	.			trans	-81	149.4	171.2	-162.5	47.8	0	0	0	110.6	R246	R246-D251 IonicContact CZ-OD1 3.44Å; R246-D251 IonicContact NE-OD1 2.68Å; R246-D251 PolarHBondContact NE-OD1 3.45Å; R246-D251 IonicContact NH2-OD1 3.47Å; R246-D251 PolarHBondContact NH2-OD1 2.91Å; R246-D251 VanDerWaalsContact NH2-OD1 3.16Å
252	L	92.7	Very high	93	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	32%	0.316	C	S	.	.			trans	-102.9	75.8	176	-65.2	-171.4	0	0	0	108.7	V202 Y203 M233 I242 L245 G254 V255	V202-L252 HydrophobicContact CG1-CD2 4.13Å; V202-L252 HydrophobicContact CG2-CB 4.07Å; V202-L252 HydrophobicContact CG2-CD1 4.16Å; V202-L252 HydrophobicContact CG2-CD2 3.99Å; V202-L252 HydrophobicContact CG2-CG 4.3Å; V202-L252 CarbonylContact O-C 3.56Å; Y203-L252 HydrophobicContact CD1-CD2 3.85Å; Y203-L252 HydrophobicContact CE1-CD2 3.57Å; M233-L252 HydrophobicContact CE-CD1 4.31Å; I242-L252 HydrophobicContact CG1-CD1 4.47Å; L245-L252 HydrophobicContact CD1-CD1 3.61Å; L245-L252 HydrophobicContact CD1-CD2 3.99Å; L245-L252 HydrophobicContact CD1-CG 3.9Å; L252-G254 PolarHBondContact O-N 3.29Å; L252-V255 HydrophobicContact CB-CB 3.87Å; L252-V255 HydrophobicContact CB-CG2 4.47Å; L252-V255 HydrophobicContact CD1-CG2 4.36Å; L252-V255 WeakPolarHBondContact O-CB 3.32Å; L252-V255 WeakPolarHBondContact O-CG1 3.47Å; L252-V255 PolarHBondContact O-N 3.38Å
253	A	94.4	Very high	93.2	Very high	28 Å²	28	69.4 Å²	69.4	23%	0.231	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.6	-176.1	0	0	0	0	0	113.4	V202 M204	V202-A253 PolarHBondContact O-N 3.38Å; M204-A253 CarbonylContact O-C 3.59Å
254	G	95.8	Very high	93.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.1	-179.1	0	0	0	0	0	115.4	V202 M204 L252 E256 T257	V202-G254 PolarHBondContact O-N 2.9Å; M204-G254 WeakPolarHBondContact O-CA 3.3Å; M204-G254 PolarHBondContact O-N 2.61Å; L252-G254 PolarHBondContact O-N 3.29Å; G254-E256 PolarHBondContact O-N 3.08Å; G254-T257 WeakPolarHBondContact O-CB 3.08Å; G254-T257 PolarHBondContact O-N 3.35Å; G254-T257 PolarHBondContact O-OG1 3.27Å
255	V	95.6	Very high	93.9	Very high	27 Å²	27	63.6 Å²	63.6	16%	0.164	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59	-25.6	-169.7	72.5	0	0	0	0	114.3	M233 I242 L252 T257 C258	M233-V255 HydrophobicContact CB-CG2 3.8Å; M233-V255 HydrophobicContact CE-CG2 4.06Å; M233-V255 HydrophobicContact CG-CG2 4.01Å; I242-V255 HydrophobicContact CD1-CG1 4.41Å; I242-V255 HydrophobicContact CD1-CG2 3.73Å; I242-V255 HydrophobicContact CG1-CG2 4.03Å; L252-V255 HydrophobicContact CB-CB 3.87Å; L252-V255 HydrophobicContact CB-CG2 4.47Å; L252-V255 HydrophobicContact CD1-CG2 4.36Å; L252-V255 WeakPolarHBondContact O-CB 3.32Å; L252-V255 WeakPolarHBondContact O-CG1 3.47Å; L252-V255 PolarHBondContact O-N 3.38Å; V255-T257 PolarHBondContact O-N 3.44Å; V255-T257 VanDerWaalsContact O-N 3.17Å; V255-C258 WeakPolarHBondContact O-CB 3.32Å; V255-C258 PolarHBondContact O-N 3.04Å
256	E	94.1	Very high	94.4	Very high	162 Å²	162	67.6 Å²	67.6	76%	0.757	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.8	175.8	-59.3	-174.9	174.8	0	0	112.8	P206 G254 C258	P206-E256 HydrophobicContact CG-CB 4.43Å; G254-E256 PolarHBondContact O-N 3.08Å; E256-C258 VanDerWaalsContact C-N 3.33Å
257	T	95.6	Very high	94.8	Very high	21 Å²	21	61.9 Å²	61.9	13%	0.129	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-78.4	-18.3	177.4	62.9	0	0	0	0	112.9	P206 G254 V255 K259 S263 R267	P206-T257 HydrophobicContact CB-CG2 3.72Å; P206-T257 HydrophobicContact CG-CG2 4.03Å; G254-T257 WeakPolarHBondContact O-CB 3.08Å; G254-T257 PolarHBondContact O-N 3.35Å; G254-T257 PolarHBondContact O-OG1 3.27Å; V255-T257 PolarHBondContact O-N 3.44Å; V255-T257 VanDerWaalsContact O-N 3.17Å; T257-K259 PolarHBondContact O-N 3.39Å; T257-K259 VanDerWaalsContact O-N 3.14Å; T257-S263 PolarHBondContact O-OG 2.82Å; T257-R267 PolarHBondContact OG1-NH1 3.01Å
258	C	97.6	Very high	95.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.			trans	-85.8	32.2	-178.5	-59.7	0	0	0	0	112.8	Q230 V231 N232 M233 V255 E256	Q230-C258 HydrophobicContact CB-CB 4.19Å; Q230-C258 WeakPolarHBondContact O-CB 3.5Å; Q230-C258 PolarHBondContact O-SG 2.97Å; V231-C258 CarbonylContact C-O 3.57Å; V231-C258 WeakPolarHBondContact CA-O 3.43Å; N232-C258 PolarHBondContact N-O 3Å; M233-C258 HydrophobicContact CB-CB 4.19Å; M233-C258 HydrophobicContact CG-CB 3.66Å; M233-C258 PolarHBondContact N-O 3.45Å; V255-C258 WeakPolarHBondContact O-CB 3.32Å; V255-C258 PolarHBondContact O-N 3.04Å; E256-C258 VanDerWaalsContact C-N 3.33Å
259	K	97.8	Very high	96	Very high	152 Å²	152	50.2 Å²	50.2	66%	0.661	25%	0.251	S	S	*	.	S	Bend	trans	-72.9	-46.3	-174.4	-178.3	-179.1	177.4	-178.4	0	113	N232 T257 S263	N232-K259 WeakPolarHBondContact CA-O 3.16Å; T257-K259 PolarHBondContact O-N 3.39Å; T257-K259 VanDerWaalsContact O-N 3.14Å; K259-S263 PolarHBondContact N-OG 3.24Å
260	S	98.6	Very high	96.5	Very high	36 Å²	36	47.2 Å²	47.2	25%	0.252	25%	0.245	S	C	.	.			trans	-160.5	170.2	-179.1	66.1	0	0	0	0	111.3	E262 S263 Q264	S260-E262 PolarHBondContact O-N 3.31Å; S260-E262 PolarHBondContact OG-N 2.78Å; S260-S263 PolarHBondContact N-OG 2.7Å; S260-S263 PolarHBondContact O-N 2.9Å; S260-S263 PolarHBondContact O-OG 2.85Å; S260-S263 PolarHBondContact OG-N 2.9Å; S260-Q264 WeakPolarHBondContact O-CG 3.31Å; S260-Q264 PolarHBondContact O-N 2.85Å; S260-Q264 VanDerWaalsContact O-N 3.08Å
261	L	98.8	Very high	97.1	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.183	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-34.2	172.4	-64.2	174.4	0	0	0	111.8	V231 Q264 K265 A278 D280 C316	V231-L261 HydrophobicContact CG2-CD2 4.01Å; V231-L261 HydrophobicContact CG2-CG 4.22Å; L261-Q264 PolarHBondContact O-N 3.19Å; L261-K265 WeakPolarHBondContact O-CG 3.5Å; L261-K265 PolarHBondContact O-N 2.72Å; L261-A278 HydrophobicContact CB-CB 4.28Å; L261-A278 HydrophobicContact CD2-CB 3.98Å; L261-D280 HydrophobicContact CD1-CB 4.44Å; L261-D280 HydrophobicContact CD2-CB 4.48Å; L261-C316 HydrophobicContact CD2-CB 3.49Å; L261-C316 VanDerWaalsContact CD2-CB 3.49Å
262	E	98.8	Very high	97.5	Very high	121 Å²	121	47.7 Å²	47.7	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-66.8	-42.2	176.1	-59.7	-51.4	130.7	0	0	112.1	S260 Q264 K265 E266	S260-E262 PolarHBondContact O-N 3.31Å; S260-E262 PolarHBondContact OG-N 2.78Å; E262-Q264 VanDerWaalsContact C-N 3.28Å; E262-Q264 PolarHBondContact O-N 3.29Å; E262-K265 VanDerWaalsContact CD-CE 3.45Å; E262-K265 PolarHBondContact O-N 3.22Å; E262-K265 VanDerWaalsContact OE1-CE 3.28Å; E262-K265 WeakPolarHBondContact OE1-CE 3.34Å; E262-K265 IonicContact OE1-NZ 2.74Å; E262-K265 PolarHBondContact OE1-NZ 3.35Å; E262-K265 WeakPolarHBondContact OE2-CE 3.39Å; E262-K265 IonicContact OE2-NZ 3.11Å; E262-K265 PolarHBondContact OE2-NZ 3.18Å; E262-E266 WeakPolarHBondContact O-CB 3.36Å; E262-E266 PolarHBondContact O-N 3.07Å
263	S	98.4	Very high	97.7	Very high	31 Å²	31	47.9 Å²	47.9	22%	0.217	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-34.7	176	69.4	0	0	0	0	111.8	T257 K259 S260 R267	T257-S263 PolarHBondContact O-OG 2.82Å; K259-S263 PolarHBondContact N-OG 3.24Å; S260-S263 PolarHBondContact N-OG 2.7Å; S260-S263 PolarHBondContact O-N 2.9Å; S260-S263 PolarHBondContact O-OG 2.85Å; S260-S263 PolarHBondContact OG-N 2.9Å; S263-R267 WeakPolarHBondContact O-CB 3.43Å; S263-R267 PolarHBondContact O-N 3.27Å
264	Q	98.8	Very high	97.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-44.2	175.9	-70.5	-70.3	14.2	0	0	112.3	E229 Q230 V231 S260 L261 E262 R267 L268	E229-Q264 PolarHBondContact OE1-NE2 3.3Å; E229-Q264 PolarHBondContact OE1-OE1 3.49Å; Q230-Q264 PolarHBondContact O-NE2 3.2Å; Q230-Q264 VanDerWaalsContact O-NE2 3.12Å; V231-Q264 HydrophobicContact CG2-CG 4.46Å; S260-Q264 WeakPolarHBondContact O-CG 3.31Å; S260-Q264 PolarHBondContact O-N 2.85Å; S260-Q264 VanDerWaalsContact O-N 3.08Å; L261-Q264 PolarHBondContact O-N 3.19Å; E262-Q264 VanDerWaalsContact C-N 3.28Å; E262-Q264 PolarHBondContact O-N 3.29Å; Q264-R267 PolarHBondContact O-N 3.38Å; Q264-L268 PolarHBondContact O-N 3.09Å
265	K	98.8	Very high	98.1	Very high	46 Å²	46	53.9 Å²	53.9	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-46.6	174.2	-72	-178.9	-64.2	175.6	0	111.9	L261 E262 R267 L268 L269 A276 A278	L261-K265 WeakPolarHBondContact O-CG 3.5Å; L261-K265 PolarHBondContact O-N 2.72Å; E262-K265 VanDerWaalsContact CD-CE 3.45Å; E262-K265 PolarHBondContact O-N 3.22Å; E262-K265 VanDerWaalsContact OE1-CE 3.28Å; E262-K265 WeakPolarHBondContact OE1-CE 3.34Å; E262-K265 IonicContact OE1-NZ 2.74Å; E262-K265 PolarHBondContact OE1-NZ 3.35Å; E262-K265 WeakPolarHBondContact OE2-CE 3.39Å; E262-K265 IonicContact OE2-NZ 3.11Å; E262-K265 PolarHBondContact OE2-NZ 3.18Å; K265-R267 VanDerWaalsContact C-N 3.29Å; K265-R267 PolarHBondContact O-N 2.96Å; K265-L268 WeakPolarHBondContact O-CB 3.3Å; K265-L268 PolarHBondContact O-N 2.92Å; K265-L269 WeakPolarHBondContact O-CG 3.4Å; K265-L269 PolarHBondContact O-N 3.47Å; K265-A276 HydrophobicContact CB-CB 4.03Å; K265-A276 HydrophobicContact CG-CB 4.18Å; K265-A278 HydrophobicContact CD-CB 4.2Å; K265-A278 HydrophobicContact CG-CB 3.73Å
266	E	98.8	Very high	98.2	Very high	114 Å²	114	53.6 Å²	53.6	53%	0.533	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-38.7	179.7	-175.4	56.8	-148.8	0	0	111.6	E262 L268 L269 S270	E262-E266 WeakPolarHBondContact O-CB 3.36Å; E262-E266 PolarHBondContact O-N 3.07Å; E266-L268 VanDerWaalsContact C-N 3.26Å; E266-L268 PolarHBondContact O-N 2.83Å; E266-L269 PolarHBondContact O-N 2.87Å; E266-S270 VanDerWaalsContact O-CB 3.25Å; E266-S270 WeakPolarHBondContact O-CB 3.44Å; E266-S270 PolarHBondContact O-N 2.95Å; E266-S270 PolarHBondContact O-OG 3.08Å
267	R	98.6	Very high	98.4	Very high	16 Å²	16	48 Å²	48	6%	0.06	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-37.5	174.3	-174.4	176.7	66.5	170.5	6	112	L213 N227 E229 T257 S263 Q264 K265 S270 N271	L213-R267 HydrophobicContact CD1-CG 3.89Å; N227-R267 PolarHBondContact ND2-NH2 2.88Å; E229-R267 IonicContact OE1-CZ 3.26Å; E229-R267 IonicContact OE1-NH1 3.29Å; E229-R267 PolarHBondContact OE1-NH1 2.94Å; E229-R267 IonicContact OE1-NH2 2.77Å; E229-R267 PolarHBondContact OE1-NH2 3.39Å; E229-R267 IonicContact OE2-NH2 2.88Å; T257-R267 PolarHBondContact OG1-NH1 3.01Å; S263-R267 WeakPolarHBondContact O-CB 3.43Å; S263-R267 PolarHBondContact O-N 3.27Å; Q264-R267 PolarHBondContact O-N 3.38Å; K265-R267 VanDerWaalsContact C-N 3.29Å; K265-R267 PolarHBondContact O-N 2.96Å; R267-S270 PolarHBondContact O-OG 2.66Å; R267-N271 WeakPolarHBondContact O-CB 3.13Å; R267-N271 PolarHBondContact O-ND2 3.22Å
268	L	98.8	Very high	98.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.3	-52.6	175.5	-66.8	160.4	0	0	0	110.6	L213 F225 Q264 K265 E266 S270 N271 W273 A276 C318 A320	L213-L268 HydrophobicContact CD1-CD2 4.33Å; L213-L268 HydrophobicContact CD2-CD2 3.8Å; F225-L268 HydrophobicContact CD1-CD2 4.3Å; Q264-L268 PolarHBondContact O-N 3.09Å; K265-L268 WeakPolarHBondContact O-CB 3.3Å; K265-L268 PolarHBondContact O-N 2.92Å; E266-L268 VanDerWaalsContact C-N 3.26Å; E266-L268 PolarHBondContact O-N 2.83Å; L268-S270 PolarHBondContact O-N 3.43Å; L268-N271 PolarHBondContact O-N 3.12Å; L268-N271 VanDerWaalsContact O-N 3.13Å; L268-W273 HydrophobicContact CB-CB 4.48Å; L268-W273 WeakPolarHBondContact O-CB 3.23Å; L268-W273 PolarHBondContact O-N 2.86Å; L268-A276 HydrophobicContact CB-CB 4.02Å; L268-A276 HydrophobicContact CD1-CB 4.28Å; L268-C318 HydrophobicContact CD1-CB 3.96Å; L268-A320 HydrophobicContact CB-CB 3.93Å; L268-A320 HydrophobicContact CD1-CB 3.97Å; L268-A320 HydrophobicContact CD2-CB 4Å; L268-A320 HydrophobicContact CG-CB 4.17Å
269	L	98.8	Very high	98.7	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-46.8	-176.8	-64.9	171.4	0	0	0	112.6	K265 E266 N271 G272 A276	K265-L269 WeakPolarHBondContact O-CG 3.4Å; K265-L269 PolarHBondContact O-N 3.47Å; E266-L269 PolarHBondContact O-N 2.87Å; L269-N271 PolarHBondContact O-N 3.38Å; L269-G272 PolarHBondContact O-N 3.49Å; L269-A276 HydrophobicContact CD1-CB 4.31Å; L269-A276 HydrophobicContact CD2-CB 3.84Å; L269-A276 HydrophobicContact CG-CB 3.76Å
270	S	98.6	Very high	98.7	Very high	76 Å²	76	41.8 Å²	41.8	53%	0.531	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-17.8	179.5	59.5	0	0	0	0	113.9	E266 R267 L268	E266-S270 VanDerWaalsContact O-CB 3.25Å; E266-S270 WeakPolarHBondContact O-CB 3.44Å; E266-S270 PolarHBondContact O-N 2.95Å; E266-S270 PolarHBondContact O-OG 3.08Å; R267-S270 PolarHBondContact O-OG 2.66Å; L268-S270 PolarHBondContact O-N 3.43Å
271	N	98.8	Very high	98.7	Very high	23 Å²	23	40 Å²	40	12%	0.123	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	27.8	177.6	-71.4	-69.3	0	0	0	113.1	A210 L213 K214 A217 R267 L268 L269	A210-N271 PolarHBondContact O-OD1 3.45Å; L213-N271 HydrophobicContact CB-CB 3.88Å; K214-N271 WeakPolarHBondContact CA-O 3.41Å; K214-N271 HydrophobicContact CB-CB 4.37Å; A217-N271 WeakPolarHBondContact CB-O 3.45Å; R267-N271 WeakPolarHBondContact O-CB 3.13Å; R267-N271 PolarHBondContact O-ND2 3.22Å; L268-N271 PolarHBondContact O-N 3.12Å; L268-N271 VanDerWaalsContact O-N 3.13Å; L269-N271 PolarHBondContact O-N 3.38Å
272	G	98.6	Very high	98.7	Very high	42 Å²	42	39 Å²	39	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	8.5	165.7	0	0	0	0	0	115.4	L269 K322	L269-G272 PolarHBondContact O-N 3.49Å; G272-K322 WeakPolarHBondContact O-CD 3.44Å
273	W	98.8	Very high	98.7	Very high	8 Å²	8	36 Å²	36	3%	0.03	21%	0.208	C	C	.	.			trans	-86.6	144	174.2	-62.4	80.6	0	0	0	111.3	L195 L213 A216 A217 A223 F225 L268 A320 K322	L195-W273 HydrophobicContact CD1-CH2 4.44Å; L213-W273 PolarHBondContact O-NE1 2.67Å; A216-W273 HydrophobicContact CB-CZ2 4.05Å; A217-W273 HydrophobicContact CB-CZ2 4.37Å; A223-W273 HydrophobicContact CB-CH2 3.89Å; A223-W273 HydrophobicContact CB-CZ3 3.99Å; F225-W273 HydrophobicContact CB-CD2 4.34Å; F225-W273 HydrophobicContact CB-CE3 4.26Å; F225-W273 HydrophobicContact CB-CH2 3.51Å; F225-W273 HydrophobicContact CB-CZ2 3.55Å; F225-W273 HydrophobicContact CB-CZ3 3.86Å; F225-W273 HydrophobicContact CD2-CH2 4.12Å; F225-W273 AromaticContact CD2-CZ2 3.64Å; F225-W273 HydrophobicContact CD2-CZ2 3.64Å; F225-W273 HydrophobicContact CG-CH2 4.3Å; F225-W273 AromaticContact CG-CZ2 3.98Å; F225-W273 HydrophobicContact CG-CZ2 3.98Å; L268-W273 HydrophobicContact CB-CB 4.48Å; L268-W273 WeakPolarHBondContact O-CB 3.23Å; L268-W273 PolarHBondContact O-N 2.86Å; W273-A320 HydrophobicContact CB-CB 3.82Å; W273-A320 HydrophobicContact CD2-CB 3.76Å; W273-A320 HydrophobicContact CE3-CB 3.68Å; W273-A320 HydrophobicContact CG-CB 3.82Å; W273-K322 HydrophobicContact CE3-CB 4.15Å; W273-K322 HydrophobicContact CZ3-CB 4.42Å
274	E	98.6	Very high	98.7	Very high	107 Å²	107	34.6 Å²	34.6	50%	0.5	20%	0.198	S	C	.	.	S	Bend	trans	-88.1	-35.3	-173.5	-67.6	170.1	-170.7	0	0	112.7	T321 K322 G323	E274-T321 PolarHBondContact N-O 3.5Å; E274-K322 HydrophobicContact CG-CB 4.44Å; E274-K322 HydrophobicContact CG-CG 4.22Å; E274-G323 VanDerWaalsContact CD-N 3.27Å; E274-G323 PolarHBondContact OE1-N 2.96Å; E274-G323 PolarHBondContact OE2-N 3.35Å
275	T	98.6	Very high	98.6	Very high	46 Å²	46	34.9 Å²	34.9	28%	0.282	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.2	174.1	82	0	0	0	0	109.9	A320 T321 K330	T275-A320 WeakPolarHBondContact O-CA 3.44Å; T275-A320 WeakPolarHBondContact O-CB 3.43Å; T275-T321 PolarHBondContact N-O 3.14Å; T275-T321 PolarHBondContact O-N 3.25Å; T275-T321 VanDerWaalsContact O-N 3.17Å; T275-T321 PolarHBondContact OG1-N 2.87Å; T275-T321 PolarHBondContact OG1-OG1 2.86Å; T275-K330 HydrophobicContact CG2-CB 4.31Å
276	A	98.6	Very high	98.6	Very high	21 Å²	21	37.5 Å²	37.5	17%	0.174	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.2	172.2	0	0	0	0	0	110	K265 L268 L269 W319 A320	K265-A276 HydrophobicContact CB-CB 4.03Å; K265-A276 HydrophobicContact CG-CB 4.18Å; L268-A276 HydrophobicContact CB-CB 4.02Å; L268-A276 HydrophobicContact CD1-CB 4.28Å; L269-A276 HydrophobicContact CD1-CB 4.31Å; L269-A276 HydrophobicContact CD2-CB 3.84Å; L269-A276 HydrophobicContact CG-CB 3.76Å; A276-W319 WeakPolarHBondContact CA-O 3.45Å; A276-A320 HydrophobicContact CB-CB 4.47Å
277	S	98.8	Very high	98.5	Very high	46 Å²	46	40 Å²	40	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.8	172.7	-65.1	0	0	0	0	109.1	C318 W319	S277-C318 CarbonylContact O-C 3.38Å; S277-C318 VanDerWaalsContact O-CA 3.27Å; S277-C318 WeakPolarHBondContact O-CA 3.37Å; S277-W319 PolarHBondContact N-O 2.83Å; S277-W319 PolarHBondContact O-N 3.39Å
278	A	98.7	Very high	98.4	Very high	17 Å²	17	39.9 Å²	39.9	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141.1	178.2	0	0	0	0	0	109.5	L261 K265 L317 C318	L261-A278 HydrophobicContact CB-CB 4.28Å; L261-A278 HydrophobicContact CD2-CB 3.98Å; K265-A278 HydrophobicContact CD-CB 4.2Å; K265-A278 HydrophobicContact CG-CB 3.73Å; A278-L317 WeakPolarHBondContact CA-O 3.49Å; A278-C318 HydrophobicContact CB-CB 4.22Å; A278-C318 VanDerWaalsContact CB-SG 3.52Å
279	V	98.8	Very high	98.4	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.2	170.3	-64.1	0	0	0	0	109.2	E283 L284 C316 L317 W319 Y334	V279-E283 HydrophobicContact CB-CB 4.46Å; V279-L284 HydrophobicContact CG2-CB 4.26Å; V279-C316 CarbonylContact O-C 3.5Å; V279-C316 WeakPolarHBondContact O-CA 3.34Å; V279-C316 VanDerWaalsContact O-CB 3.29Å; V279-C316 WeakPolarHBondContact O-CB 3.29Å; V279-L317 HydrophobicContact CG2-CB 4.45Å; V279-L317 PolarHBondContact N-O 3.38Å; V279-L317 PolarHBondContact O-N 3.08Å; V279-W319 HydrophobicContact CG2-CZ3 4.5Å; V279-Y334 HydrophobicContact CB-CE1 4.19Å; V279-Y334 HydrophobicContact CG1-CE1 3.66Å; V279-Y334 HydrophobicContact CG2-CD1 4.13Å; V279-Y334 HydrophobicContact CG2-CE1 3.53Å
280	D	98.7	Very high	98.2	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	157	166.9	72.1	59.7	0	0	0	110.2	L261 M282 E283 L284 R313 Y315	L261-D280 HydrophobicContact CD1-CB 4.44Å; L261-D280 HydrophobicContact CD2-CB 4.48Å; D280-M282 PolarHBondContact O-N 2.64Å; D280-M282 WeakPolarHBondContact OD1-CA 3.45Å; D280-M282 VanDerWaalsContact OD1-CB 3.3Å; D280-M282 WeakPolarHBondContact OD1-CB 3.15Å; D280-M282 PolarHBondContact OD1-N 2.99Å; D280-E283 PolarHBondContact O-N 3.15Å; D280-E283 PolarHBondContact OD1-N 3.34Å; D280-L284 PolarHBondContact O-N 2.89Å; D280-L284 VanDerWaalsContact O-N 3.12Å; D280-R313 IonicContact OD1-CZ 2.68Å; D280-R313 IonicContact OD1-NH1 3.81Å; D280-R313 PolarHBondContact OD1-NH1 3.37Å; D280-R313 IonicContact OD2-CZ 3.07Å; D280-R313 IonicContact OD2-NH1 3.84Å; D280-R313 PolarHBondContact OD2-NH1 3.09Å; D280-Y315 WeakPolarHBondContact CA-O 3.19Å
281	M	98.7	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-18	-174	-64.3	-54.4	-61	0	0	113	A72 Y228 L284 Y285 M312 Y315 L317	A72-M281 VanDerWaalsContact C-CE 3.41Å; A72-M281 HydrophobicContact CB-CE 3.79Å; A72-M281 WeakPolarHBondContact O-CE 3.27Å; Y228-M281 HydrophobicContact CD2-CE 4.47Å; Y228-M281 HydrophobicContact CD2-SD 3.89Å; Y228-M281 HydrophobicContact CE2-CE 3.92Å; Y228-M281 HydrophobicContact CE2-CG 3.73Å; Y228-M281 HydrophobicContact CE2-SD 3.55Å; Y228-M281 VanDerWaalsContact CE2-SD 3.55Å; M281-L284 HydrophobicContact CE-CB 4.45Å; M281-L284 HydrophobicContact CE-CD1 4.05Å; M281-L284 HydrophobicContact CE-CD2 4.04Å; M281-L284 HydrophobicContact CE-CG 4.41Å; M281-L284 HydrophobicContact SD-CD1 4.38Å; M281-Y285 VanDerWaalsContact O-CB 3.24Å; M281-Y285 WeakPolarHBondContact O-CB 3.21Å; M281-Y285 PolarHBondContact O-N 3.2Å; M281-M312 HydrophobicContact CB-CB 4.22Å; M281-M312 WeakPolarHBondContact CB-O 3.15Å; M281-M312 HydrophobicContact CB-SD 3.59Å; M281-M312 VanDerWaalsContact CB-SD 3.59Å; M281-M312 PolarHBondContact N-O 3.31Å; M281-Y315 PolarHBondContact N-O 2.85Å; M281-L317 HydrophobicContact SD-CB 3.89Å
282	M	98.4	Very high	98	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-76.5	-39.9	175.9	-167.9	62.4	-171.9	0	0	110.4	D280 L284 Y285 N286 E309 M312 R313	D280-M282 PolarHBondContact O-N 2.64Å; D280-M282 WeakPolarHBondContact OD1-CA 3.45Å; D280-M282 VanDerWaalsContact OD1-CB 3.3Å; D280-M282 WeakPolarHBondContact OD1-CB 3.15Å; D280-M282 PolarHBondContact OD1-N 2.99Å; M282-L284 VanDerWaalsContact C-N 3.34Å; M282-Y285 PolarHBondContact O-N 3.13Å; M282-N286 WeakPolarHBondContact O-CB 3.13Å; M282-N286 PolarHBondContact O-N 3.19Å; M282-N286 PolarHBondContact O-ND2 3.37Å; M282-E309 HydrophobicContact CE-CB 4.2Å; M282-E309 HydrophobicContact CE-CG 4.45Å; M282-E309 HydrophobicContact CG-CG 4.2Å; M282-E309 HydrophobicContact SD-CB 4.24Å; M282-E309 HydrophobicContact SD-CG 4.43Å; M282-M312 HydrophobicContact CB-CB 3.71Å; M282-M312 HydrophobicContact CG-CB 4.41Å; M282-M312 HydrophobicContact SD-CB 3.98Å; M282-M312 HydrophobicContact SD-CG 4.31Å; M282-R313 HydrophobicContact CB-CG 4.08Å
283	E	98.5	Very high	97.9	Very high	58 Å²	58	51.6 Å²	51.6	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-46.4	169.8	-177.9	174.6	178.5	0	0	111.1	V279 D280 Y285 N286 R287	V279-E283 HydrophobicContact CB-CB 4.46Å; D280-E283 PolarHBondContact O-N 3.15Å; D280-E283 PolarHBondContact OD1-N 3.34Å; E283-Y285 PolarHBondContact O-N 3.1Å; E283-N286 PolarHBondContact O-N 3.12Å; E283-R287 WeakPolarHBondContact O-CG 3.5Å; E283-R287 PolarHBondContact O-N 3.21Å; E283-R287 IonicContact OE1-CZ 2.82Å; E283-R287 IonicContact OE1-NE 3.73Å; E283-R287 PolarHBondContact OE1-NE 3.17Å; E283-R287 VanDerWaalsContact OE1-NE 3.08Å; E283-R287 IonicContact OE1-NH2 3.76Å; E283-R287 PolarHBondContact OE1-NH2 3.01Å
284	L	98.6	Very high	97.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-48.3	175.8	-174.2	150.2	0	0	0	111.3	A72 V279 D280 M281 M282 N286 R287 L288 L317 Y334	A72-L284 HydrophobicContact CB-CD2 4.18Å; V279-L284 HydrophobicContact CG2-CB 4.26Å; D280-L284 PolarHBondContact O-N 2.89Å; D280-L284 VanDerWaalsContact O-N 3.12Å; M281-L284 HydrophobicContact CE-CB 4.45Å; M281-L284 HydrophobicContact CE-CD1 4.05Å; M281-L284 HydrophobicContact CE-CD2 4.04Å; M281-L284 HydrophobicContact CE-CG 4.41Å; M281-L284 HydrophobicContact SD-CD1 4.38Å; M282-L284 VanDerWaalsContact C-N 3.34Å; L284-N286 VanDerWaalsContact C-N 3.32Å; L284-N286 PolarHBondContact O-N 3.23Å; L284-R287 PolarHBondContact O-N 3.15Å; L284-R287 VanDerWaalsContact O-N 3.07Å; L284-L288 HydrophobicContact CD2-CD2 4.32Å; L284-L288 PolarHBondContact O-N 3.3Å; L284-L317 HydrophobicContact CD1-CB 4.36Å; L284-L317 HydrophobicContact CD1-CD2 3.59Å; L284-Y334 HydrophobicContact CB-CD2 4.5Å; L284-Y334 HydrophobicContact CB-CE2 4.11Å; L284-Y334 HydrophobicContact CD1-CD2 3.83Å; L284-Y334 HydrophobicContact CD1-CE2 4.25Å; L284-Y334 HydrophobicContact CD1-CG 4.06Å; L284-Y334 HydrophobicContact CG-CD2 3.75Å; L284-Y334 HydrophobicContact CG-CE2 3.84Å; L284-Y334 HydrophobicContact CG-CG 4.48Å
285	Y	97.9	Very high	97.7	Very high	6 Å²	6	53.6 Å²	53.6	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-44.7	179.5	-172.1	-95.2	0	0	0	111.9	R68 A72 M281 M282 E283 R287 L288 I296 E297 L308 M312	R68-Y285 HydrophobicContact CB-CE2 4.42Å; R68-Y285 PolarHBondContact NH1-OH 3.04Å; A72-Y285 HydrophobicContact CB-CD2 4.26Å; M281-Y285 VanDerWaalsContact O-CB 3.24Å; M281-Y285 WeakPolarHBondContact O-CB 3.21Å; M281-Y285 PolarHBondContact O-N 3.2Å; M282-Y285 PolarHBondContact O-N 3.13Å; E283-Y285 PolarHBondContact O-N 3.1Å; Y285-R287 PolarHBondContact O-N 3.32Å; Y285-L288 HydrophobicContact CD2-CD1 3.78Å; Y285-L288 HydrophobicContact CE2-CD1 4.2Å; Y285-L288 HydrophobicContact CG-CD1 4.28Å; Y285-L288 WeakPolarHBondContact O-CB 3.22Å; Y285-L288 WeakPolarHBondContact O-CG 3.41Å; Y285-L288 PolarHBondContact O-N 3.41Å; Y285-I296 HydrophobicContact CE2-CD1 3.74Å; Y285-E297 PolarHBondContact OH-OE1 3.31Å; Y285-L308 HydrophobicContact CE1-CD2 4.23Å; Y285-M312 HydrophobicContact CD2-CE 3.8Å; Y285-M312 HydrophobicContact CE2-CE 4.37Å; Y285-M312 HydrophobicContact CG-CE 4.33Å
286	N	97.3	Very high	97.7	Very high	102 Å²	102	51.4 Å²	51.4	55%	0.545	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-19	179.1	-71.8	-31.6	0	0	0	113.9	M282 E283 L284	M282-N286 WeakPolarHBondContact O-CB 3.13Å; M282-N286 PolarHBondContact O-N 3.19Å; M282-N286 PolarHBondContact O-ND2 3.37Å; E283-N286 PolarHBondContact O-N 3.12Å; L284-N286 VanDerWaalsContact C-N 3.32Å; L284-N286 PolarHBondContact O-N 3.23Å
287	R	97.6	Very high	97.5	Very high	166 Å²	166	53.9 Å²	53.9	63%	0.626	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.9	177.8	-68	-175.8	-166.5	-88.2	4.3	113.7	E283 L284 Y285 Y334	E283-R287 WeakPolarHBondContact O-CG 3.5Å; E283-R287 PolarHBondContact O-N 3.21Å; E283-R287 IonicContact OE1-CZ 2.82Å; E283-R287 IonicContact OE1-NE 3.73Å; E283-R287 PolarHBondContact OE1-NE 3.17Å; E283-R287 VanDerWaalsContact OE1-NE 3.08Å; E283-R287 IonicContact OE1-NH2 3.76Å; E283-R287 PolarHBondContact OE1-NH2 3.01Å; L284-R287 PolarHBondContact O-N 3.15Å; L284-R287 VanDerWaalsContact O-N 3.07Å; Y285-R287 PolarHBondContact O-N 3.32Å; R287-Y334 HydrophobicContact CB-CE2 4.27Å; R287-Y334 VanDerWaalsContact CD-OH 3.24Å; R287-Y334 WeakPolarHBondContact CD-OH 3.37Å
288	L	97	Very high	97.5	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.073	29%	0.291	C	S	.	.	S	Bend	trans	-56.7	148.5	174.4	-72.7	170.1	0	0	0	111.2	F71 H75 L284 Y285 R290 V293 I296	F71-L288 HydrophobicContact CD1-CD1 4.47Å; F71-L288 HydrophobicContact CE1-CD1 3.89Å; F71-L288 HydrophobicContact CE1-CD2 4.44Å; H75-L288 WeakPolarHBondContact CD2-CD2 3.43Å; L284-L288 HydrophobicContact CD2-CD2 4.32Å; L284-L288 PolarHBondContact O-N 3.3Å; Y285-L288 HydrophobicContact CD2-CD1 3.78Å; Y285-L288 HydrophobicContact CE2-CD1 4.2Å; Y285-L288 HydrophobicContact CG-CD1 4.28Å; Y285-L288 WeakPolarHBondContact O-CB 3.22Å; Y285-L288 WeakPolarHBondContact O-CG 3.41Å; Y285-L288 PolarHBondContact O-N 3.41Å; L288-R290 PolarHBondContact O-N 3.42Å; L288-V293 HydrophobicContact CB-CG2 3.6Å; L288-V293 HydrophobicContact CD1-CG2 4.35Å; L288-I296 HydrophobicContact CD1-CD1 4.32Å
289	P	97.1	Very high	97.4	Very high	74 Å²	74	58.1 Å²	58.1	48%	0.481	30%	0.298	S	S	.	.			trans	-54.1	132.6	171.4	-24.9	34.2	0	0	0	110.8	A291 E292 V293	P289-A291 PolarHBondContact O-N 3.36Å; P289-E292 HydrophobicContact CB-CB 4.49Å; P289-E292 WeakPolarHBondContact O-CA 3.34Å; P289-E292 WeakPolarHBondContact O-CB 3.25Å; P289-E292 PolarHBondContact O-N 2.76Å; P289-V293 PolarHBondContact O-N 3.17Å; P289-V293 VanDerWaalsContact O-N 3.09Å
290	R	96.1	Very high	97.3	Very high	222 Å²	222	58.1 Å²	58.1	84%	0.838	30%	0.298	S	S	*	.	H	α-helix	trans	-53.9	-35.7	-176.3	-66.1	-173.9	-172.1	175.1	2.6	113.2	L288 E292 V293 S294	L288-R290 PolarHBondContact O-N 3.42Å; R290-E292 VanDerWaalsContact C-N 3.35Å; R290-V293 PolarHBondContact O-N 3.08Å; R290-S294 PolarHBondContact O-N 3.25Å; R290-S294 PolarHBondContact O-OG 3.26Å; R290-S294 VanDerWaalsContact O-OG 3.11Å
291	A	97.3	Very high	97.1	Very high	76 Å²	76	65.5 Å²	65.5	63%	0.628	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-39.9	176.5	0	0	0	0	0	112.5	P289 R295	P289-A291 PolarHBondContact O-N 3.36Å; A291-R295 WeakPolarHBondContact O-CB 3.04Å; A291-R295 PolarHBondContact O-N 3.27Å
292	E	96.1	Very high	96.9	Very high	53 Å²	53	66.4 Å²	66.4	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-41.4	175.9	-80.2	-63.6	97.4	0	0	111.3	F71 P289 R290 R295 I296	F71-E292 WeakPolarHBondContact CZ-OE2 3.39Å; P289-E292 HydrophobicContact CB-CB 4.49Å; P289-E292 WeakPolarHBondContact O-CA 3.34Å; P289-E292 WeakPolarHBondContact O-CB 3.25Å; P289-E292 PolarHBondContact O-N 2.76Å; R290-E292 VanDerWaalsContact C-N 3.35Å; E292-R295 WeakPolarHBondContact O-CB 3.22Å; E292-R295 PolarHBondContact O-N 3.42Å; E292-R295 IonicContact OE1-CZ 2.78Å; E292-R295 IonicContact OE1-NE 2.59Å; E292-R295 PolarHBondContact OE1-NE 3.5Å; E292-R295 IonicContact OE1-NH2 3.74Å; E292-R295 IonicContact OE2-CZ 2.72Å; E292-R295 IonicContact OE2-NE 2.66Å; E292-R295 PolarHBondContact OE2-NE 2.92Å; E292-R295 IonicContact OE2-NH2 3.71Å; E292-R295 PolarHBondContact OE2-NH2 3.25Å; E292-I296 WeakPolarHBondContact O-CG1 3.21Å; E292-I296 PolarHBondContact O-N 2.9Å
293	V	95.5	Very high	96.5	Very high	29 Å²	29	71.2 Å²	71.2	18%	0.176	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-53.6	174.1	-179.6	0	0	0	0	110.4	L288 P289 R290 R295 I296 E297	L288-V293 HydrophobicContact CB-CG2 3.6Å; L288-V293 HydrophobicContact CD1-CG2 4.35Å; P289-V293 PolarHBondContact O-N 3.17Å; P289-V293 VanDerWaalsContact O-N 3.09Å; R290-V293 PolarHBondContact O-N 3.08Å; V293-R295 PolarHBondContact O-N 2.89Å; V293-I296 WeakPolarHBondContact O-CG1 3.43Å; V293-I296 PolarHBondContact O-N 2.83Å; V293-E297 HydrophobicContact CG1-CG 3.97Å; V293-E297 WeakPolarHBondContact O-CB 3.5Å; V293-E297 VanDerWaalsContact O-CG 3.26Å; V293-E297 WeakPolarHBondContact O-CG 3.19Å; V293-E297 PolarHBondContact O-N 3.43Å
294	S	96.2	Very high	96	Very high	80 Å²	80	73.4 Å²	73.4	56%	0.559	37%	0.371	S	S	*	.	H	α-helix	trans	-57.7	-37.8	178.3	-61.5	0	0	0	0	112.6	R290 S298	R290-S294 PolarHBondContact O-N 3.25Å; R290-S294 PolarHBondContact O-OG 3.26Å; R290-S294 VanDerWaalsContact O-OG 3.11Å; S294-S298 WeakPolarHBondContact O-CB 3.4Å; S294-S298 PolarHBondContact O-N 3.21Å; S294-S298 PolarHBondContact O-OG 3.42Å
295	R	98.2	Very high	95.7	Very high	77 Å²	77	76.6 Å²	76.6	29%	0.291	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-56.1	176.4	-173.2	-174.2	66.2	73.7	-0	111.2	G44 Y45 F71 A291 E292 V293 E297 S298	G44-R295 PolarHBondContact O-NH1 3.2Å; Y45-R295 PolarHBondContact O-NH1 3.49Å; Y45-R295 PolarHBondContact O-NH2 3.39Å; F71-R295 VanDerWaalsContact CE2-NH2 3.33Å; A291-R295 WeakPolarHBondContact O-CB 3.04Å; A291-R295 PolarHBondContact O-N 3.27Å; E292-R295 WeakPolarHBondContact O-CB 3.22Å; E292-R295 PolarHBondContact O-N 3.42Å; E292-R295 IonicContact OE1-CZ 2.78Å; E292-R295 IonicContact OE1-NE 2.59Å; E292-R295 PolarHBondContact OE1-NE 3.5Å; E292-R295 IonicContact OE1-NH2 3.74Å; E292-R295 IonicContact OE2-CZ 2.72Å; E292-R295 IonicContact OE2-NE 2.66Å; E292-R295 PolarHBondContact OE2-NE 2.92Å; E292-R295 IonicContact OE2-NH2 3.71Å; E292-R295 PolarHBondContact OE2-NH2 3.25Å; V293-R295 PolarHBondContact O-N 2.89Å; R295-E297 PolarHBondContact O-N 3.43Å; R295-S298 PolarHBondContact O-N 2.9Å; R295-S298 PolarHBondContact O-OG 2.95Å
296	I	96.9	Very high	95.5	Very high	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-68.6	-35.6	-175.1	66.6	-174.8	0	0	0	112.7	Y45 F71 Y285 L288 E292 V293 S298 L299	Y45-I296 HydrophobicContact CD1-CB 4.18Å; Y45-I296 HydrophobicContact CD1-CG2 4.22Å; Y45-I296 HydrophobicContact CE1-CB 4.21Å; F71-I296 HydrophobicContact CD1-CD1 3.46Å; F71-I296 VanDerWaalsContact CD1-CD1 3.46Å; F71-I296 HydrophobicContact CD1-CG2 4.02Å; F71-I296 HydrophobicContact CD2-CG2 3.96Å; F71-I296 HydrophobicContact CE1-CD1 3.47Å; F71-I296 VanDerWaalsContact CE1-CD1 3.47Å; F71-I296 HydrophobicContact CE1-CG2 3.86Å; F71-I296 HydrophobicContact CE2-CG2 3.79Å; F71-I296 HydrophobicContact CG-CD1 4.35Å; F71-I296 HydrophobicContact CG-CG2 4.06Å; F71-I296 HydrophobicContact CZ-CD1 4.35Å; F71-I296 HydrophobicContact CZ-CG2 3.73Å; Y285-I296 HydrophobicContact CE2-CD1 3.74Å; L288-I296 HydrophobicContact CD1-CD1 4.32Å; E292-I296 WeakPolarHBondContact O-CG1 3.21Å; E292-I296 PolarHBondContact O-N 2.9Å; V293-I296 WeakPolarHBondContact O-CG1 3.43Å; V293-I296 PolarHBondContact O-N 2.83Å; I296-S298 PolarHBondContact O-N 3.37Å; I296-L299 WeakPolarHBondContact O-CB 3.36Å; I296-L299 PolarHBondContact O-N 2.77Å
297	E	95.9	Very high	95.3	Very high	74 Å²	74	81.3 Å²	81.3	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-70.8	-22.7	179.3	-64.8	-161.7	128	0	0	112.7	R68 Y285 V293 R295 L299	R68-E297 IonicContact CZ-OE1 2.76Å; R68-E297 IonicContact NH1-OE1 2.61Å; R68-E297 PolarHBondContact NH1-OE1 3.33Å; Y285-E297 PolarHBondContact OH-OE1 3.31Å; V293-E297 HydrophobicContact CG1-CG 3.97Å; V293-E297 WeakPolarHBondContact O-CB 3.5Å; V293-E297 VanDerWaalsContact O-CG 3.26Å; V293-E297 WeakPolarHBondContact O-CG 3.19Å; V293-E297 PolarHBondContact O-N 3.43Å; R295-E297 PolarHBondContact O-N 3.43Å; E297-L299 VanDerWaalsContact C-N 3.34Å
298	S	97.3	Very high	95.2	Very high	95 Å²	95	73.4 Å²	73.4	66%	0.664	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.8	174	74.9	0	0	0	0	114.1	S294 R295 I296	S294-S298 WeakPolarHBondContact O-CB 3.4Å; S294-S298 PolarHBondContact O-N 3.21Å; S294-S298 PolarHBondContact O-OG 3.42Å; R295-S298 PolarHBondContact O-N 2.9Å; R295-S298 PolarHBondContact O-OG 2.95Å; I296-S298 PolarHBondContact O-N 3.37Å
299	L	97.3	Very high	95.2	Very high	56 Å²	56	76.8 Å²	76.8	29%	0.293	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.2	-179.4	-62.7	177	0	0	0	112	I43 Y45 I296 E297	I43-L299 HydrophobicContact CG2-CB 4.38Å; Y45-L299 HydrophobicContact CD1-CD1 4.19Å; Y45-L299 HydrophobicContact CD2-CD1 3.98Å; Y45-L299 HydrophobicContact CE1-CD1 4.46Å; Y45-L299 HydrophobicContact CE2-CD1 4.25Å; Y45-L299 HydrophobicContact CG-CD1 3.97Å; I296-L299 WeakPolarHBondContact O-CB 3.36Å; I296-L299 PolarHBondContact O-N 2.77Å; E297-L299 VanDerWaalsContact C-N 3.34Å
300	E	97	Very high	95.1	Very high	11 Å²	11	77.1 Å²	77.1	5%	0.051	39%	0.388	C	S	.	.	S	Bend	trans	-143.7	133.8	-178.3	-65.8	-173.4	108.6	0	0	110.7	I43 Y45 R61 P64 N67 R68	I43-E300 HydrophobicContact CG2-CG 4.11Å; Y45-E300 HydrophobicContact CE2-CG 4.49Å; Y45-E300 VanDerWaalsContact CE2-OE2 3.23Å; Y45-E300 WeakPolarHBondContact CE2-OE2 3.46Å; Y45-E300 PolarHBondContact OH-OE2 3.06Å; R61-E300 IonicContact NH2-OE1 3.43Å; R61-E300 PolarHBondContact NH2-OE1 3.05Å; R61-E300 VanDerWaalsContact NH2-OE1 3.16Å; P64-E300 HydrophobicContact CB-CB 4.06Å; P64-E300 HydrophobicContact CG-CB 4.26Å; N67-E300 PolarHBondContact ND2-OE2 3.19Å; R68-E300 PolarHBondContact NH2-O 3.49Å
301	F	94.8	Very high	95.1	Very high	168 Å²	168	68.3 Å²	68.3	74%	0.737	36%	0.357	S	S	*	.			trans	-69.2	131.9	171.1	179.9	-105.4	0	0	0	110.2	P64 D303	P64-F301 WeakPolarHBondContact CG-O 3.31Å; F301-D303 HydrophobicContact CE1-CB 3.69Å; F301-D303 HydrophobicContact CZ-CB 3.9Å
302	L	94.4	Very high	95.1	Very high	19 Å²	19	64.8 Å²	64.8	10%	0.099	33%	0.328	C	S	.	.			trans	-130	114.7	172.7	175.2	63.1	0	0	0	106.8	P64 E65 M305 L308	P64-L302 HydrophobicContact CB-CB 4.25Å; P64-L302 HydrophobicContact CB-CD1 4.36Å; E65-L302 HydrophobicContact CB-CD1 4.47Å; E65-L302 HydrophobicContact CB-CD2 4.44Å; L302-M305 HydrophobicContact CD2-SD 3.66Å; L302-M305 HydrophobicContact CG-SD 4.12Å; L302-L308 HydrophobicContact CD2-CB 3.87Å; L302-L308 HydrophobicContact CD2-CD2 3.9Å; L302-L308 HydrophobicContact CD2-CG 4.43Å
303	D	88.6	Confident	95.3	Very high	115 Å²	115	66.3 Å²	66.3	62%	0.615	33%	0.331	S	S	*	.	S	Bend	trans	-84	-42.7	177	50.8	-11.8	0	0	0	112.2	F301 M305	F301-D303 HydrophobicContact CE1-CB 3.69Å; F301-D303 HydrophobicContact CZ-CB 3.9Å; D303-M305 PolarHBondContact O-N 2.92Å
304	E	89.7	Confident	95.4	Very high	103 Å²	103	65.3 Å²	65.3	48%	0.481	32%	0.324	S	S	.	.			trans	-94.2	81.6	-176.5	-63.6	-174.9	154.6	0	0	111.8	E306 L307	E304-E306 PolarHBondContact O-N 3Å; E304-L307 HydrophobicContact CB-CD1 4.12Å; E304-L307 HydrophobicContact CB-CG 4.14Å; E304-L307 PolarHBondContact O-N 3.39Å; E304-L307 WeakPolarHBondContact OE2-CD1 3.29Å
305	M	92.1	Very high	95.5	Very high	69 Å²	69	63.5 Å²	63.5	34%	0.34	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-23.5	176.7	-71.5	-62.5	-65.2	0	0	112.8	L302 D303 L307 L308 E309	L302-M305 HydrophobicContact CD2-SD 3.66Å; L302-M305 HydrophobicContact CG-SD 4.12Å; D303-M305 PolarHBondContact O-N 2.92Å; M305-L307 VanDerWaalsContact C-N 3.29Å; M305-L307 PolarHBondContact O-N 2.94Å; M305-L308 HydrophobicContact CE-CD2 3.84Å; M305-L308 PolarHBondContact O-N 2.97Å; M305-L308 HydrophobicContact SD-CD2 4.33Å; M305-E309 PolarHBondContact O-N 2.96Å
306	E	94	Very high	95.6	Very high	137 Å²	137	59.8 Å²	59.8	64%	0.64	29%	0.292	S	S	*	.	H	α-helix	trans	-62.6	-35.4	177.3	-63.5	78.4	-174.3	0	0	112	E304 E309 Q310	E304-E306 PolarHBondContact O-N 3Å; E306-E309 PolarHBondContact O-N 3.2Å; E306-Q310 VanDerWaalsContact O-CB 3.29Å; E306-Q310 WeakPolarHBondContact O-CB 3.3Å; E306-Q310 PolarHBondContact O-N 3.14Å
307	L	91.9	Very high	95.6	Very high	69 Å²	69	59.9 Å²	59.9	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-41.9	176.2	-70	-178.1	0	0	0	111.4	E65 E304 M305 Q310 L311	E65-L307 HydrophobicContact CG-CB 4.46Å; E304-L307 HydrophobicContact CB-CD1 4.12Å; E304-L307 HydrophobicContact CB-CG 4.14Å; E304-L307 PolarHBondContact O-N 3.39Å; E304-L307 WeakPolarHBondContact OE2-CD1 3.29Å; M305-L307 VanDerWaalsContact C-N 3.29Å; M305-L307 PolarHBondContact O-N 2.94Å; L307-Q310 PolarHBondContact O-N 3.03Å; L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.17Å
308	L	95.1	Very high	95.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-47.8	175	177.3	66.9	0	0	0	110.9	E65 R68 Y285 L302 M305 Q310 L311 M312	E65-L308 HydrophobicContact CB-CB 3.97Å; E65-L308 HydrophobicContact CB-CD1 3.97Å; R68-L308 HydrophobicContact CB-CD1 3.92Å; Y285-L308 HydrophobicContact CE1-CD2 4.23Å; L302-L308 HydrophobicContact CD2-CB 3.87Å; L302-L308 HydrophobicContact CD2-CD2 3.9Å; L302-L308 HydrophobicContact CD2-CG 4.43Å; M305-L308 HydrophobicContact CE-CD2 3.84Å; M305-L308 PolarHBondContact O-N 2.97Å; M305-L308 HydrophobicContact SD-CD2 4.33Å; L308-Q310 PolarHBondContact O-N 3.36Å; L308-L311 PolarHBondContact O-N 3.08Å; L308-M312 HydrophobicContact CD1-CE 3.59Å; L308-M312 HydrophobicContact CD1-CG 3.73Å; L308-M312 HydrophobicContact CD1-SD 4.49Å; L308-M312 HydrophobicContact CG-CG 4.11Å; L308-M312 VanDerWaalsContact O-CB 3.23Å; L308-M312 WeakPolarHBondContact O-CB 3.35Å; L308-M312 WeakPolarHBondContact O-CG 3.33Å; L308-M312 PolarHBondContact O-N 2.9Å
309	E	97	Very high	95.9	Very high	86 Å²	86	52.6 Å²	52.6	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-48.1	177.7	176.9	161.5	-157.5	0	0	110.9	M282 M305 E306 L311 M312 R313	M282-E309 HydrophobicContact CE-CB 4.2Å; M282-E309 HydrophobicContact CE-CG 4.45Å; M282-E309 HydrophobicContact CG-CG 4.2Å; M282-E309 HydrophobicContact SD-CB 4.24Å; M282-E309 HydrophobicContact SD-CG 4.43Å; M305-E309 PolarHBondContact O-N 2.96Å; E306-E309 PolarHBondContact O-N 3.2Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 2.97Å; E309-M312 PolarHBondContact O-N 3.07Å; E309-R313 HydrophobicContact CG-CG 4.04Å; E309-R313 WeakPolarHBondContact O-CB 3.13Å; E309-R313 WeakPolarHBondContact O-CG 3.35Å; E309-R313 PolarHBondContact O-N 3.02Å; E309-R313 IonicContact OE1-NE 3.81Å; E309-R313 IonicContact OE1-NH2 3.44Å
310	Q	95.8	Very high	95.9	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-44.6	179.2	-170.3	173.4	44.1	0	0	111.7	F237 E306 L307 L308 H314	F237-Q310 HydrophobicContact CB-CG 4.27Å; F237-Q310 HydrophobicContact CD1-CG 4.15Å; F237-Q310 HydrophobicContact CD2-CG 3.48Å; F237-Q310 VanDerWaalsContact CD2-CG 3.48Å; F237-Q310 VanDerWaalsContact CD2-OE1 3.29Å; F237-Q310 HydrophobicContact CE1-CG 4.33Å; F237-Q310 HydrophobicContact CE2-CG 3.68Å; F237-Q310 HydrophobicContact CG-CG 3.7Å; F237-Q310 HydrophobicContact CZ-CG 4.1Å; E306-Q310 VanDerWaalsContact O-CB 3.29Å; E306-Q310 WeakPolarHBondContact O-CB 3.3Å; E306-Q310 PolarHBondContact O-N 3.14Å; L307-Q310 PolarHBondContact O-N 3.03Å; L308-Q310 PolarHBondContact O-N 3.36Å; Q310-H314 PolarHBondContact O-ND1 3.07Å
311	L	96.4	Very high	96	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.188	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-48.4	177	-172.3	112.8	0	0	0	111.7	I66 L307 L308 E309 R313 H314 Y315	I66-L311 HydrophobicContact CD1-CD1 3.89Å; L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.17Å; L308-L311 PolarHBondContact O-N 3.08Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 2.97Å; L311-R313 VanDerWaalsContact C-N 3.34Å; L311-R313 PolarHBondContact O-N 3.35Å; L311-H314 PolarHBondContact O-N 3.21Å; L311-H314 VanDerWaalsContact O-N 3.09Å; L311-Y315 WeakPolarHBondContact O-CD2 3.49Å
312	M	98.1	Very high	96.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-32.5	-176.5	-71.6	-73.3	-158.4	0	0	112.8	R68 G69 A72 M281 M282 Y285 L308 E309 H314 Y315	R68-M312 WeakPolarHBondContact O-CE 3.3Å; G69-M312 VanDerWaalsContact CA-CE 3.4Å; A72-M312 HydrophobicContact CB-CE 3.75Å; A72-M312 HydrophobicContact CB-SD 4.3Å; M281-M312 HydrophobicContact CB-CB 4.22Å; M281-M312 WeakPolarHBondContact CB-O 3.15Å; M281-M312 HydrophobicContact CB-SD 3.59Å; M281-M312 VanDerWaalsContact CB-SD 3.59Å; M281-M312 PolarHBondContact N-O 3.31Å; M282-M312 HydrophobicContact CB-CB 3.71Å; M282-M312 HydrophobicContact CG-CB 4.41Å; M282-M312 HydrophobicContact SD-CB 3.98Å; M282-M312 HydrophobicContact SD-CG 4.31Å; Y285-M312 HydrophobicContact CD2-CE 3.8Å; Y285-M312 HydrophobicContact CE2-CE 4.37Å; Y285-M312 HydrophobicContact CG-CE 4.33Å; L308-M312 HydrophobicContact CD1-CE 3.59Å; L308-M312 HydrophobicContact CD1-CG 3.73Å; L308-M312 HydrophobicContact CD1-SD 4.49Å; L308-M312 HydrophobicContact CG-CG 4.11Å; L308-M312 VanDerWaalsContact O-CB 3.23Å; L308-M312 WeakPolarHBondContact O-CB 3.35Å; L308-M312 WeakPolarHBondContact O-CG 3.33Å; L308-M312 PolarHBondContact O-N 2.9Å; E309-M312 PolarHBondContact O-N 3.07Å; M312-H314 PolarHBondContact O-N 3.43Å; M312-Y315 PolarHBondContact O-N 3.26Å; M312-Y315 VanDerWaalsContact O-O 3.11Å
313	R	98.4	Very high	96.2	Very high	86 Å²	86	43.5 Å²	43.5	33%	0.325	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.5	173.7	-68.7	-69	-173.5	-172.8	1.3	113.7	V231 N232 D280 M282 E309 L311	V231-R313 WeakPolarHBondContact CG1-O 3.3Å; N232-R313 PolarHBondContact ND2-O 2.99Å; D280-R313 IonicContact OD1-CZ 2.68Å; D280-R313 IonicContact OD1-NH1 3.81Å; D280-R313 PolarHBondContact OD1-NH1 3.37Å; D280-R313 IonicContact OD2-CZ 3.07Å; D280-R313 IonicContact OD2-NH1 3.84Å; D280-R313 PolarHBondContact OD2-NH1 3.09Å; M282-R313 HydrophobicContact CB-CG 4.08Å; E309-R313 HydrophobicContact CG-CG 4.04Å; E309-R313 WeakPolarHBondContact O-CB 3.13Å; E309-R313 WeakPolarHBondContact O-CG 3.35Å; E309-R313 PolarHBondContact O-N 3.02Å; E309-R313 IonicContact OE1-NE 3.81Å; E309-R313 IonicContact OE1-NH2 3.44Å; L311-R313 VanDerWaalsContact C-N 3.34Å; L311-R313 PolarHBondContact O-N 3.35Å
314	H	98.5	Very high	96	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.032	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	8.7	178.9	-75.1	84.2	0	0	0	114	Q230 V231 N232 D235 F237 Q310 L311 M312	Q230-H314 CarbonylContact C-O 3.49Å; Q230-H314 WeakPolarHBondContact CA-O 3.38Å; V231-H314 PolarHBondContact N-O 3.47Å; V231-H314 CarbonylContact O-C 3.43Å; V231-H314 VanDerWaalsContact O-CA 3.3Å; V231-H314 WeakPolarHBondContact O-CA 3.49Å; N232-H314 PolarHBondContact O-CD2 3.16Å; N232-H314 PolarHBondContact O-NE2 3.11Å; D235-H314 IonicContact OD1-CE1 3.08Å; D235-H314 IonicContact OD1-NE2 3.35Å; D235-H314 PolarHBondContact OD1-NE2 2.94Å; D235-H314 VanDerWaalsContact OD1-NE2 3.08Å; D235-H314 IonicContact OD2-CE1 2.75Å; D235-H314 PolarHBondContact OD2-CE1 2.78Å; D235-H314 IonicContact OD2-NE2 2.95Å; D235-H314 PolarHBondContact OD2-NE2 3.3Å; F237-H314 HydrophobicContact CD1-CB 4.13Å; F237-H314 AromaticContact CD1-CD2 3.65Å; F237-H314 AromaticContact CD1-CE1 3.44Å; F237-H314 VanDerWaalsContact CD1-CE1 3.44Å; F237-H314 WeakPolarHBondContact CD1-CE1 3.24Å; F237-H314 AromaticContact CD1-CG 3.42Å; F237-H314 VanDerWaalsContact CD1-CG 3.42Å; F237-H314 AromaticContact CD1-ND1 3.3Å; F237-H314 VanDerWaalsContact CD1-ND1 3.3Å; F237-H314 WeakPolarHBondContact CD1-ND1 3.46Å; F237-H314 AromaticContact CD1-NE2 3.65Å; F237-H314 HydrophobicContact CE1-CB 3.93Å; F237-H314 AromaticContact CE1-CG 3.71Å; F237-H314 AromaticContact CE1-ND1 3.71Å; F237-H314 AromaticContact CG-CE1 3.94Å; Q310-H314 PolarHBondContact O-ND1 3.07Å; L311-H314 PolarHBondContact O-N 3.21Å; L311-H314 VanDerWaalsContact O-N 3.09Å; M312-H314 PolarHBondContact O-N 3.43Å
315	Y	98.8	Very high	96.1	Very high	42 Å²	42	39.2 Å²	39.2	17%	0.165	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	154	166.9	-74.2	-93.5	0	0	0	110.1	Y228 E229 Q230 M241 D280 M281 L311 M312	Y228-Y315 AromaticContact CE1-CD1 3.7Å; Y228-Y315 HydrophobicContact CE1-CD1 3.7Å; Y228-Y315 HydrophobicContact CE1-CE1 4.13Å; Y228-Y315 AromaticContact CZ-CD1 3.6Å; Y228-Y315 VanDerWaalsContact OH-CD1 3.3Å; Y228-Y315 WeakPolarHBondContact OH-CD1 3.29Å; E229-Y315 CarbonylContact O-C 3.12Å; E229-Y315 WeakPolarHBondContact O-CA 3.48Å; Q230-Y315 HydrophobicContact CG-CD1 4.35Å; Q230-Y315 HydrophobicContact CG-CE1 3.95Å; M241-Y315 HydrophobicContact CE-CE1 4.42Å; M241-Y315 HydrophobicContact CE-CE2 3.9Å; M241-Y315 WeakPolarHBondContact CE-OH 3.47Å; D280-Y315 WeakPolarHBondContact CA-O 3.19Å; M281-Y315 PolarHBondContact N-O 2.85Å; L311-Y315 WeakPolarHBondContact O-CD2 3.49Å; M312-Y315 PolarHBondContact O-N 3.26Å; M312-Y315 VanDerWaalsContact O-O 3.11Å
316	C	98.9	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.4	176	65.3	0	0	0	0	111.7	Y228 E229 V231 L261 V279 C318	Y228-C316 WeakPolarHBondContact CA-O 3.33Å; Y228-C316 WeakPolarHBondContact CD2-O 3.28Å; E229-C316 PolarHBondContact N-O 3.27Å; E229-C316 PolarHBondContact O-N 3.01Å; V231-C316 HydrophobicContact CB-CB 3.89Å; V231-C316 HydrophobicContact CG1-CB 3.85Å; V231-C316 HydrophobicContact CG2-CB 4.39Å; L261-C316 HydrophobicContact CD2-CB 3.49Å; L261-C316 VanDerWaalsContact CD2-CB 3.49Å; V279-C316 CarbonylContact O-C 3.5Å; V279-C316 WeakPolarHBondContact O-CA 3.34Å; V279-C316 VanDerWaalsContact O-CB 3.29Å; V279-C316 WeakPolarHBondContact O-CB 3.29Å; C316-C318 PolarHBondContact SG-SG 2.79Å
317	L	98.9	Very high	96	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.7	164.5	-176.3	63.4	0	0	0	107.9	V77 L80 I226 A278 V279 M281 L284	V77-L317 HydrophobicContact CG2-CD1 3.85Å; L80-L317 HydrophobicContact CD1-CD1 4.13Å; L80-L317 HydrophobicContact CD1-CD2 3.69Å; L80-L317 HydrophobicContact CD1-CG 3.9Å; L80-L317 HydrophobicContact CG-CD2 4.42Å; I226-L317 HydrophobicContact CG2-CD1 3.77Å; A278-L317 WeakPolarHBondContact CA-O 3.49Å; V279-L317 HydrophobicContact CG2-CB 4.45Å; V279-L317 PolarHBondContact N-O 3.38Å; V279-L317 PolarHBondContact O-N 3.08Å; M281-L317 HydrophobicContact SD-CB 3.89Å; L284-L317 HydrophobicContact CD1-CB 4.36Å; L284-L317 HydrophobicContact CD1-CD2 3.59Å
318	C	98.9	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.5	177.2	-53.3	0	0	0	0	109.5	N227 L268 S277 A278 C316	N227-C318 HydrophobicContact CB-CB 4.26Å; N227-C318 PolarHBondContact N-O 3.44Å; N227-C318 PolarHBondContact O-N 2.91Å; L268-C318 HydrophobicContact CD1-CB 3.96Å; S277-C318 CarbonylContact O-C 3.38Å; S277-C318 VanDerWaalsContact O-CA 3.27Å; S277-C318 WeakPolarHBondContact O-CA 3.37Å; A278-C318 HydrophobicContact CB-CB 4.22Å; A278-C318 VanDerWaalsContact CB-SG 3.52Å; C316-C318 PolarHBondContact SG-SG 2.79Å
319	W	98.9	Very high	96.3	Very high	16 Å²	16	38.6 Å²	38.6	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.4	167.6	68.7	100.9	0	0	0	111.7	L80 M224 F225 I226 A276 S277 V279 I332 Y334	L80-W319 HydrophobicContact CD1-CB 4.08Å; L80-W319 HydrophobicContact CD1-CD2 4.25Å; L80-W319 HydrophobicContact CD1-CE3 4.1Å; L80-W319 HydrophobicContact CD1-CG 4.27Å; L80-W319 HydrophobicContact CD2-CD2 4.15Å; L80-W319 HydrophobicContact CD2-CE3 4.47Å; L80-W319 HydrophobicContact CD2-CG 4.3Å; M224-W319 HydrophobicContact CE-CB 3.69Å; M224-W319 HydrophobicContact CE-CG 3.92Å; F225-W319 CarbonylContact O-C 3.43Å; F225-W319 WeakPolarHBondContact O-CA 3.45Å; I226-W319 HydrophobicContact CG1-CB 4.44Å; A276-W319 WeakPolarHBondContact CA-O 3.45Å; S277-W319 PolarHBondContact N-O 2.83Å; S277-W319 PolarHBondContact O-N 3.39Å; V279-W319 HydrophobicContact CG2-CZ3 4.5Å; W319-I332 PolarHBondContact NE1-O 3.5Å; W319-Y334 AromaticContact CH2-CD1 3.62Å; W319-Y334 HydrophobicContact CH2-CD1 3.62Å; W319-Y334 AromaticContact CH2-CE1 3.85Å; W319-Y334 HydrophobicContact CH2-CE1 3.85Å; W319-Y334 AromaticContact CZ3-CD1 3.75Å; W319-Y334 HydrophobicContact CZ3-CD1 3.75Å; W319-Y334 HydrophobicContact CZ3-CE1 4.12Å
320	A	98.8	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.6	178.6	0	0	0	0	0	110.6	M224 F225 L268 W273 T275 A276	M224-A320 CarbonylContact C-O 3.38Å; M224-A320 VanDerWaalsContact CA-O 3.25Å; M224-A320 WeakPolarHBondContact CA-O 3.36Å; M224-A320 WeakPolarHBondContact CG-O 3.41Å; F225-A320 PolarHBondContact N-O 3.46Å; F225-A320 PolarHBondContact O-N 3Å; L268-A320 HydrophobicContact CB-CB 3.93Å; L268-A320 HydrophobicContact CD1-CB 3.97Å; L268-A320 HydrophobicContact CD2-CB 4Å; L268-A320 HydrophobicContact CG-CB 4.17Å; W273-A320 HydrophobicContact CB-CB 3.82Å; W273-A320 HydrophobicContact CD2-CB 3.76Å; W273-A320 HydrophobicContact CE3-CB 3.68Å; W273-A320 HydrophobicContact CG-CB 3.82Å; T275-A320 WeakPolarHBondContact O-CA 3.44Å; T275-A320 WeakPolarHBondContact O-CB 3.43Å; A276-A320 HydrophobicContact CB-CB 4.47Å
321	T	98.8	Very high	96.2	Very high	2 Å²	2	43 Å²	43	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.6	175.2	71.5	0	0	0	0	110.7	A223 M224 E274 T275 L329	A223-T321 WeakPolarHBondContact O-CA 3.36Å; M224-T321 HydrophobicContact CB-CG2 4.49Å; M224-T321 HydrophobicContact CG-CG2 4.23Å; E274-T321 PolarHBondContact N-O 3.5Å; T275-T321 PolarHBondContact N-O 3.14Å; T275-T321 PolarHBondContact O-N 3.25Å; T275-T321 VanDerWaalsContact O-N 3.17Å; T275-T321 PolarHBondContact OG1-N 2.87Å; T275-T321 PolarHBondContact OG1-OG1 2.86Å; T321-L329 HydrophobicContact CG2-CB 4.01Å
322	K	97.7	Very high	96.3	Very high	45 Å²	45	41.7 Å²	41.7	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	171.3	173.2	175.6	-179.2	-92.8	0	108.5	A217 F220 A222 A223 G272 W273 E274	A217-K322 HydrophobicContact CB-CD 4.19Å; A217-K322 VanDerWaalsContact O-CD 3.23Å; A217-K322 WeakPolarHBondContact O-CD 3.48Å; A217-K322 WeakPolarHBondContact O-CE 3.39Å; A217-K322 PolarHBondContact O-NZ 3.48Å; F220-K322 PolarHBondContact O-NZ 3.03Å; A222-K322 WeakPolarHBondContact CA-O 3.43Å; A223-K322 PolarHBondContact N-O 3.36Å; A223-K322 PolarHBondContact O-N 3.13Å; G272-K322 WeakPolarHBondContact O-CD 3.44Å; W273-K322 HydrophobicContact CE3-CB 4.15Å; W273-K322 HydrophobicContact CZ3-CB 4.42Å; E274-K322 HydrophobicContact CG-CB 4.44Å; E274-K322 HydrophobicContact CG-CG 4.22Å
323	G	94.5	Very high	96.2	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	23%	0.227	C	C	.	.	S	Bend	trans	59.4	-157	-172.1	0	0	0	0	0	111.8	E274 N325	E274-G323 VanDerWaalsContact CD-N 3.27Å; E274-G323 PolarHBondContact OE1-N 2.96Å; E274-G323 PolarHBondContact OE2-N 3.35Å; G323-N325 VanDerWaalsContact C-N 3.31Å; G323-N325 PolarHBondContact O-N 3.34Å
324	G	85.8	Confident	95.8	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	22%	0.22	C	C	.	.			trans	69.4	25.8	174.5	0	0	0	0	0	114.6	E326 L327 G328 L329	G324-E326 VanDerWaalsContact C-N 3.26Å; G324-E326 PolarHBondContact O-N 2.91Å; G324-L327 CarbonylContact O-C 3.53Å; G324-L327 PolarHBondContact O-N 3.41Å; G324-L327 VanDerWaalsContact O-N 3.15Å; G324-G328 PolarHBondContact O-N 3.37Å; G324-L329 PolarHBondContact O-N 3.25Å; G324-L329 VanDerWaalsContact O-N 3.16Å
325	N	90.8	Very high	95.7	Very high	113 Å²	113	45.7 Å²	45.7	60%	0.604	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-41.6	170.9	-80.5	-36.9	0	0	0	111.5	G323 L327 G328	G323-N325 VanDerWaalsContact C-N 3.31Å; G323-N325 PolarHBondContact O-N 3.34Å; N325-L327 VanDerWaalsContact C-N 3.29Å; N325-L327 PolarHBondContact O-N 3.37Å; N325-G328 PolarHBondContact O-N 3.47Å; N325-G328 VanDerWaalsContact O-N 3.15Å
326	E	91.3	Very high	95.5	Very high	200 Å²	200	45.9 Å²	45.9	94%	0.935	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.4	176.5	-61.1	-176.2	174.3	0	0	112.6	G324 G328	G324-E326 VanDerWaalsContact C-N 3.26Å; G324-E326 PolarHBondContact O-N 2.91Å; E326-G328 VanDerWaalsContact C-N 3.33Å
327	L	93.4	Very high	95.3	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.288	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.8	175.8	-61.7	173.2	0	0	0	112.5	K87 T88 P192 G324 N325 L329	K87-L327 WeakPolarHBondContact CD-O 3.38Å; T88-L327 HydrophobicContact CG2-CD1 4.28Å; P192-L327 HydrophobicContact CB-CD1 4.12Å; P192-L327 HydrophobicContact CG-CD1 3.82Å; G324-L327 CarbonylContact O-C 3.53Å; G324-L327 PolarHBondContact O-N 3.41Å; G324-L327 VanDerWaalsContact O-N 3.15Å; N325-L327 VanDerWaalsContact C-N 3.29Å; N325-L327 PolarHBondContact O-N 3.37Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 HydrophobicContact CB-CD2 3.88Å; L327-L329 HydrophobicContact CB-CG 3.92Å; L327-L329 HydrophobicContact CD1-CD1 4.46Å; L327-L329 HydrophobicContact CD1-CD2 4.44Å; L327-L329 HydrophobicContact CD1-CG 4.48Å; L327-L329 PolarHBondContact O-N 3Å
328	G	96.1	Very high	95.1	Very high	8 Å²	8	51.2 Å²	51.2	8%	0.082	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	35.1	-175.5	0	0	0	0	0	113.9	G324 N325 E326 K330 E331	G324-G328 PolarHBondContact O-N 3.37Å; N325-G328 PolarHBondContact O-N 3.47Å; N325-G328 VanDerWaalsContact O-N 3.15Å; E326-G328 VanDerWaalsContact C-N 3.33Å; G328-K330 PolarHBondContact O-N 3.37Å; G328-E331 WeakPolarHBondContact O-CB 3.29Å; G328-E331 PolarHBondContact O-N 3.31Å; G328-E331 VanDerWaalsContact O-N 3.16Å
329	L	95.8	Very high	94.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.5	-31.1	-176.6	-60.8	-173.7	0	0	0	113	F84 K87 T321 G324 L327 E331 I332	F84-L329 HydrophobicContact CD2-CD2 4.07Å; F84-L329 HydrophobicContact CE2-CD1 4.1Å; F84-L329 HydrophobicContact CE2-CD2 4.14Å; K87-L329 HydrophobicContact CB-CD2 3.98Å; T321-L329 HydrophobicContact CG2-CB 4.01Å; G324-L329 PolarHBondContact O-N 3.25Å; G324-L329 VanDerWaalsContact O-N 3.16Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 HydrophobicContact CB-CD2 3.88Å; L327-L329 HydrophobicContact CB-CG 3.92Å; L327-L329 HydrophobicContact CD1-CD1 4.46Å; L327-L329 HydrophobicContact CD1-CD2 4.44Å; L327-L329 HydrophobicContact CD1-CG 4.48Å; L327-L329 PolarHBondContact O-N 3Å; L329-E331 PolarHBondContact O-N 3.15Å; L329-E331 VanDerWaalsContact O-N 3.09Å; L329-I332 HydrophobicContact CB-CD1 4.38Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.35Å; L329-I332 WeakPolarHBondContact O-CG1 3.32Å; L329-I332 PolarHBondContact O-N 2.68Å
330	K	95.3	Very high	94.6	Very high	132 Å²	132	57 Å²	57	57%	0.574	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-61.4	-15.2	176.8	68.1	-178.4	179.9	-174.7	0	114.6	T275 G328	T275-K330 HydrophobicContact CG2-CB 4.31Å; G328-K330 PolarHBondContact O-N 3.37Å
331	E	96.3	Very high	94.3	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-90	-6.6	179.2	-57.9	171.7	175.7	0	0	112.4	K87 G328 L329 T333	K87-E331 IonicContact NZ-OE2 2.71Å; K87-E331 PolarHBondContact NZ-OE2 3.23Å; G328-E331 WeakPolarHBondContact O-CB 3.29Å; G328-E331 PolarHBondContact O-N 3.31Å; G328-E331 VanDerWaalsContact O-N 3.16Å; L329-E331 PolarHBondContact O-N 3.15Å; L329-E331 VanDerWaalsContact O-N 3.09Å; E331-T333 PolarHBondContact O-N 3.38Å
332	I	98.1	Very high	94	Very high	9 Å²	9	65.6 Å²	65.6	5%	0.046	34%	0.335	C	S	.	.			trans	-65.1	133	-179.5	-68.7	171.6	0	0	0	109.9	L80 A83 F84 K87 M224 W319 L329	L80-I332 HydrophobicContact CD2-CG2 3.75Å; A83-I332 HydrophobicContact CB-CG1 4.26Å; A83-I332 HydrophobicContact CB-CG2 3.71Å; F84-I332 HydrophobicContact CB-CD1 4.29Å; F84-I332 HydrophobicContact CD2-CD1 4.33Å; K87-I332 HydrophobicContact CG-CD1 4.19Å; K87-I332 HydrophobicContact CG-CG1 4.11Å; M224-I332 HydrophobicContact CE-CG2 3.74Å; M224-I332 HydrophobicContact SD-CD1 3.85Å; M224-I332 HydrophobicContact SD-CG2 4.26Å; W319-I332 PolarHBondContact NE1-O 3.5Å; L329-I332 HydrophobicContact CB-CD1 4.38Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.35Å; L329-I332 WeakPolarHBondContact O-CG1 3.32Å; L329-I332 PolarHBondContact O-N 2.68Å
333	T	96.8	Very high	93.7	Very high	86 Å²	86	67.3 Å²	67.3	53%	0.528	35%	0.346	S	S	.	.			trans	-141.6	166.7	174.1	-162.7	0	0	0	0	109.6	E331	E331-T333 PolarHBondContact O-N 3.38Å
334	Y	90.2	Very high	93.6	Very high	48 Å²	48	71.9 Å²	71.9	19%	0.188	36%	0.362	C	S	.	.			trans	-83	0	-176.2	59	-91.2	0	0	0	113.2	Q79 V279 L284 R287 W319	Q79-Y334 WeakPolarHBondContact CB-OXT 3.37Å; Q79-Y334 VanDerWaalsContact CG-OXT 3.29Å; Q79-Y334 WeakPolarHBondContact CG-OXT 3.41Å; Q79-Y334 PolarHBondContact NE2-OXT 3.16Å; V279-Y334 HydrophobicContact CB-CE1 4.19Å; V279-Y334 HydrophobicContact CG1-CE1 3.66Å; V279-Y334 HydrophobicContact CG2-CD1 4.13Å; V279-Y334 HydrophobicContact CG2-CE1 3.53Å; L284-Y334 HydrophobicContact CB-CD2 4.5Å; L284-Y334 HydrophobicContact CB-CE2 4.11Å; L284-Y334 HydrophobicContact CD1-CD2 3.83Å; L284-Y334 HydrophobicContact CD1-CE2 4.25Å; L284-Y334 HydrophobicContact CD1-CG 4.06Å; L284-Y334 HydrophobicContact CG-CD2 3.75Å; L284-Y334 HydrophobicContact CG-CE2 3.84Å; L284-Y334 HydrophobicContact CG-CG 4.48Å; R287-Y334 HydrophobicContact CB-CE2 4.27Å; R287-Y334 VanDerWaalsContact CD-OH 3.24Å; R287-Y334 WeakPolarHBondContact CD-OH 3.37Å; W319-Y334 AromaticContact CH2-CD1 3.62Å; W319-Y334 HydrophobicContact CH2-CD1 3.62Å; W319-Y334 AromaticContact CH2-CE1 3.85Å; W319-Y334 HydrophobicContact CH2-CE1 3.85Å; W319-Y334 AromaticContact CZ3-CD1 3.75Å; W319-Y334 HydrophobicContact CZ3-CD1 3.75Å; W319-Y334 HydrophobicContact CZ3-CE1 4.12Å

Retrieved 334 of 334 residues in 252.7 ms (Link to these results)

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