A0A077ZBQ5_TRITR Loading...

Phosphoserine phosphatase

AlphaFold DB , UniProt , Accession A0A077ZBQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	33.4	Very low	244 Å²	244	162.2 Å²	162.2	100%	1.202	81%	0.81	S	S	*	*				0	99.9	0	-79	176.5	172.9	0	0	108.1
2	C	34.3	Very low	33.3	Very low	101 Å²	101	162.8 Å²	162.8	68%	0.682	82%	0.817	S	S	*	*			trans	-143.3	92.8	163.3	-138.7	0	0	0	0	105.8	Y4	C2-Y4 HydrophobicContact CB-CE2 4.32Å; C2-Y4 PolarHBondContact O-N 2.84Å
3	R	31.9	Very low	33.5	Very low	243 Å²	243	159.8 Å²	159.8	92%	0.917	81%	0.812	S	S	*	*			trans	-86.3	96.4	177.9	-68.6	-174.8	-171	-134.2	3.8	106.5	R5	R3-R5 PolarHBondContact O-N 3.04Å
4	Y	35.5	Very low	33.4	Very low	213 Å²	213	157.2 Å²	157.2	84%	0.835	81%	0.811	S	S	*	*			trans	-71.4	100.4	166	-76.5	-84	0	0	0	107.7	C2	C2-Y4 HydrophobicContact CB-CE2 4.32Å; C2-Y4 PolarHBondContact O-N 2.84Å
5	R	31.8	Very low	33.8	Very low	228 Å²	228	152.7 Å²	152.7	86%	0.86	81%	0.807	S	S	*	*			trans	-81.9	112.9	175.3	-156.9	176.6	-169.5	-145.4	2.5	106.3	R3 T7	R3-R5 PolarHBondContact O-N 3.04Å; R5-T7 PolarHBondContact O-N 3.13Å
6	W	28	Very low	34	Very low	216 Å²	216	149.8 Å²	149.8	82%	0.818	80%	0.802	S	S	*	*			trans	-59	115.7	170.2	-172.6	77.5	0	0	0	108.9	P8	W6-P8 HydrophobicContact CE3-CB 4.2Å; W6-P8 HydrophobicContact CE3-CG 3.88Å; W6-P8 HydrophobicContact CH2-CB 3.56Å; W6-P8 HydrophobicContact CH2-CG 3.95Å; W6-P8 HydrophobicContact CZ2-CB 4.04Å; W6-P8 HydrophobicContact CZ3-CB 3.64Å; W6-P8 HydrophobicContact CZ3-CG 3.47Å; W6-P8 VanDerWaalsContact CZ3-CG 3.47Å
7	T	31.7	Very low	34.2	Very low	124 Å²	124	146.9 Å²	146.9	76%	0.761	80%	0.804	S	S	*	*			trans	-101.7	109.1	165.6	25.2	0	0	0	0	108.1	R5	R5-T7 PolarHBondContact O-N 3.13Å
8	P	34.7	Very low	34.2	Very low	62 Å²	62	141.4 Å²	141.4	40%	0.403	79%	0.787	S	S	.	*			trans	-67.5	141.2	166.5	24.2	-25.1	0	0	0	109.4	W6 S10	W6-P8 HydrophobicContact CE3-CB 4.2Å; W6-P8 HydrophobicContact CE3-CG 3.88Å; W6-P8 HydrophobicContact CH2-CB 3.56Å; W6-P8 HydrophobicContact CH2-CG 3.95Å; W6-P8 HydrophobicContact CZ2-CB 4.04Å; W6-P8 HydrophobicContact CZ3-CB 3.64Å; W6-P8 HydrophobicContact CZ3-CG 3.47Å; W6-P8 VanDerWaalsContact CZ3-CG 3.47Å; P8-S10 PolarHBondContact O-N 2.57Å; P8-S10 PolarHBondContact O-OG 2.73Å
9	C	33.4	Very low	34.2	Very low	138 Å²	138	140.6 Å²	140.6	93%	0.932	79%	0.787	S	S	*	*			trans	-51.2	101.1	177.2	-157.1	0	0	0	0	109.9
10	S	34.7	Very low	34.6	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	78%	0.784	S	S	*	*			trans	-140.3	75.9	176	51.9	0	0	0	0	109	P8	P8-S10 PolarHBondContact O-N 2.57Å; P8-S10 PolarHBondContact O-OG 2.73Å
11	S	41	Very low	35.1	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	78%	0.781	S	S	*	*			trans	-111.4	106.7	149.9	56.1	0	0	0	0	107.6	V13	S11-V13 PolarHBondContact O-N 2.94Å
12	L	31.5	Very low	36.8	Very low	169 Å²	169	134.4 Å²	134.4	89%	0.885	76%	0.759	S	S	*	*			trans	-54.4	115.1	174.6	-70	140.9	0	0	0	111.9
13	V	37.1	Very low	38.9	Very low	125 Å²	125	132.5 Å²	132.5	76%	0.758	74%	0.74	S	S	*	*			trans	-144.1	128.4	130.6	-174.6	0	0	0	0	105	S11 A15	S11-V13 PolarHBondContact O-N 2.94Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.37Å
14	P	31.1	Very low	41.6	Very low	123 Å²	123	125.9 Å²	125.9	80%	0.799	72%	0.723	S	S	*	*			trans	-65.7	101.9	175.3	27.5	-30.9	0	0	0	107.2	S16	P14-S16 PolarHBondContact O-N 2.73Å
15	A	39.9	Very low	44.4	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	70%	0.702	S	S	*	*			trans	-54.3	118	157.5	0	0	0	0	0	104.5	V13 A17	V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.37Å; A15-A17 PolarHBondContact O-N 2.81Å; A15-A17 VanDerWaalsContact O-N 3.13Å
16	S	36.4	Very low	47.3	Very low	105 Å²	105	112.3 Å²	112.3	73%	0.734	69%	0.691	S	S	*	*			trans	-38.1	128.8	162	51.3	0	0	0	0	106.4	P14 G18	P14-S16 PolarHBondContact O-N 2.73Å; S16-G18 PolarHBondContact O-N 2.98Å
17	A	37.8	Very low	50.5	Low	101 Å²	101	103.7 Å²	103.7	84%	0.835	67%	0.666	S	S	*	*			trans	-60.6	76.1	167.4	0	0	0	0	0	106.6	A15 T19	A15-A17 PolarHBondContact O-N 2.81Å; A15-A17 VanDerWaalsContact O-N 3.13Å; A17-T19 VanDerWaalsContact C-N 3.31Å; A17-T19 PolarHBondContact O-N 3.05Å
18	G	34.4	Very low	53.6	Low	49 Å²	49	97.8 Å²	97.8	51%	0.505	63%	0.63	S	S	.	*			trans	-60.4	109	169.9	0	0	0	0	0	101.6	S16 T20	S16-G18 PolarHBondContact O-N 2.98Å; G18-T20 PolarHBondContact O-N 3.48Å
19	T	34.4	Very low	56.5	Low	126 Å²	126	99 Å²	99	77%	0.773	63%	0.629	S	S	*	*			trans	-51.9	98.7	161.3	-45.6	0	0	0	0	103.7	A17 V21	A17-T19 VanDerWaalsContact C-N 3.31Å; A17-T19 PolarHBondContact O-N 3.05Å; T19-V21 PolarHBondContact O-N 3.27Å
20	T	41.9	Very low	59.5	Low	118 Å²	118	94.9 Å²	94.9	72%	0.724	61%	0.605	S	S	*	*			trans	-59.7	99.3	171.6	-49.5	0	0	0	0	102.7	G18 Q22	G18-T20 PolarHBondContact O-N 3.48Å; T20-Q22 PolarHBondContact O-N 3.27Å
21	V	46.1	Very low	62.4	Low	121 Å²	121	91.7 Å²	91.7	73%	0.733	58%	0.58	S	S	*	*			trans	-59.9	101.5	175.1	175.6	0	0	0	0	103.2	T19 M23	T19-V21 PolarHBondContact O-N 3.27Å; V21-M23 PolarHBondContact O-N 3.14Å
22	Q	66.4	Low	65.1	Low	156 Å²	156	86.5 Å²	86.5	73%	0.729	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.6	116.1	174.5	-82.5	-165.5	-35.7	0	0	105.5	T20 N24	T20-Q22 PolarHBondContact O-N 3.27Å; Q22-N24 PolarHBondContact O-N 3.25Å
23	M	77.9	Confident	68.2	Low	61 Å²	61	79.5 Å²	79.5	30%	0.3	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57.6	129.7	174.5	-70.3	-167.3	67	0	0	107.8	V21 A27 V28 L31	V21-M23 PolarHBondContact O-N 3.14Å; M23-A27 HydrophobicContact CE-CB 3.54Å; M23-V28 HydrophobicContact CB-CG2 3.9Å; M23-V28 HydrophobicContact CE-CG2 4.42Å; M23-L31 HydrophobicContact CE-CD1 3.55Å; M23-L31 HydrophobicContact CE-CG 4.3Å; M23-L31 HydrophobicContact SD-CD1 4.02Å
24	N	88.5	Confident	71.1	Confident	103 Å²	103	78.8 Å²	78.8	55%	0.551	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-66.9	152.7	170	68.8	42.2	0	0	0	109.4	Q22 S26 A27 V28	Q22-N24 PolarHBondContact O-N 3.25Å; N24-S26 PolarHBondContact O-N 2.78Å; N24-S26 VanDerWaalsContact O-N 3.14Å; N24-S26 WeakPolarHBondContact OD1-CB 3.4Å; N24-S26 PolarHBondContact OD1-N 2.82Å; N24-A27 WeakPolarHBondContact O-CB 3.43Å; N24-A27 PolarHBondContact O-N 2.88Å; N24-A27 WeakPolarHBondContact OD1-CB 3.43Å; N24-A27 PolarHBondContact OD1-N 2.84Å; N24-V28 PolarHBondContact O-N 3.27Å
25	V	93.5	Very high	74.3	Confident	65 Å²	65	73.3 Å²	73.3	39%	0.394	46%	0.461	S	S	.	.	H	α-helix	trans	-56.9	-33	-177.7	174.2	0	0	0	0	111.9	A27 V28 K29 W232	V25-A27 PolarHBondContact O-N 3.31Å; V25-V28 PolarHBondContact O-N 3.06Å; V25-K29 HydrophobicContact CG1-CD 4.21Å; V25-K29 HydrophobicContact CG1-CG 4.31Å; V25-K29 WeakPolarHBondContact O-CG 3.5Å; V25-K29 PolarHBondContact O-N 3.08Å; V25-W232 HydrophobicContact CG1-CB 4.39Å; V25-W232 HydrophobicContact CG1-CD2 4.38Å; V25-W232 HydrophobicContact CG1-CG 3.94Å
26	S	93.6	Very high	77.1	Confident	91 Å²	91	70.9 Å²	70.9	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-63	-40.2	177.6	-54.5	0	0	0	0	112.8	N24 K29 A30	N24-S26 PolarHBondContact O-N 2.78Å; N24-S26 VanDerWaalsContact O-N 3.14Å; N24-S26 WeakPolarHBondContact OD1-CB 3.4Å; N24-S26 PolarHBondContact OD1-N 2.82Å; S26-K29 PolarHBondContact O-N 2.81Å; S26-A30 PolarHBondContact O-N 3.25Å
27	A	94.4	Very high	80	Confident	35 Å²	35	65.9 Å²	65.9	29%	0.289	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176.3	0	0	0	0	0	111.3	M23 N24 V25 A30 L31	M23-A27 HydrophobicContact CE-CB 3.54Å; N24-A27 WeakPolarHBondContact O-CB 3.43Å; N24-A27 PolarHBondContact O-N 2.88Å; N24-A27 WeakPolarHBondContact OD1-CB 3.43Å; N24-A27 PolarHBondContact OD1-N 2.84Å; V25-A27 PolarHBondContact O-N 3.31Å; A27-A30 PolarHBondContact O-N 2.7Å; A27-L31 PolarHBondContact O-N 3.44Å
28	V	96.4	Very high	82.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-40.5	174.6	-174.9	0	0	0	0	111.1	M23 N24 V25 A30 L31 W32 A213 I215 H231 W232	M23-V28 HydrophobicContact CB-CG2 3.9Å; M23-V28 HydrophobicContact CE-CG2 4.42Å; N24-V28 PolarHBondContact O-N 3.27Å; V25-V28 PolarHBondContact O-N 3.06Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 2.89Å; V28-L31 WeakPolarHBondContact O-CB 3.46Å; V28-L31 PolarHBondContact O-N 2.74Å; V28-W32 WeakPolarHBondContact O-CB 3.28Å; V28-W32 PolarHBondContact O-N 2.72Å; V28-A213 HydrophobicContact CG1-CB 3.96Å; V28-I215 HydrophobicContact CG1-CG1 4.23Å; V28-H231 HydrophobicContact CG1-CB 4.41Å; V28-H231 HydrophobicContact CG2-CB 3.48Å; V28-H231 VanDerWaalsContact CG2-CB 3.48Å; V28-W232 HydrophobicContact CB-CB 4.2Å; V28-W232 HydrophobicContact CG1-CB 3.79Å; V28-W232 HydrophobicContact CG1-CE3 4.28Å
29	K	96.9	Very high	86	Confident	87 Å²	87	58.8 Å²	58.8	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-38.6	173.6	-76.1	-177.8	175	-171.4	0	112	V25 S26 W32 S33 W232	V25-K29 HydrophobicContact CG1-CD 4.21Å; V25-K29 HydrophobicContact CG1-CG 4.31Å; V25-K29 WeakPolarHBondContact O-CG 3.5Å; V25-K29 PolarHBondContact O-N 3.08Å; S26-K29 PolarHBondContact O-N 2.81Å; K29-W32 WeakPolarHBondContact O-CB 3.25Å; K29-W32 PolarHBondContact O-N 3.26Å; K29-S33 PolarHBondContact O-N 3.45Å; K29-S33 PolarHBondContact O-OG 3.49Å; K29-S33 VanDerWaalsContact O-OG 3.07Å; K29-W232 HydrophobicContact CD-CH2 4.47Å; K29-W232 HydrophobicContact CD-CZ2 4.49Å; K29-W232 VanDerWaalsContact CE-CZ2 3.44Å; K29-W232 HydrophobicContact CG-CD2 4.26Å; K29-W232 HydrophobicContact CG-CE3 3.91Å; K29-W232 HydrophobicContact CG-CH2 3.96Å; K29-W232 HydrophobicContact CG-CZ2 4.31Å; K29-W232 HydrophobicContact CG-CZ3 3.75Å
30	A	95.2	Very high	89.1	Confident	52 Å²	52	52.8 Å²	52.8	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-41.9	173.8	0	0	0	0	0	112.2	S26 A27 V28 W32 S33 H34	S26-A30 PolarHBondContact O-N 3.25Å; A27-A30 PolarHBondContact O-N 2.7Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 2.89Å; A30-W32 VanDerWaalsContact C-N 3.32Å; A30-S33 PolarHBondContact O-N 2.75Å; A30-H34 PolarHBondContact O-CD2 2.98Å; A30-H34 VanDerWaalsContact O-CD2 3.26Å; A30-H34 PolarHBondContact O-N 2.82Å
31	L	96.2	Very high	91.8	Very high	37 Å²	37	47.7 Å²	47.7	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-44.8	171.2	-74.2	177.8	0	0	0	111.3	M23 A27 V28 H34 A35 R194 I196 D212 A213	M23-L31 HydrophobicContact CE-CD1 3.55Å; M23-L31 HydrophobicContact CE-CG 4.3Å; M23-L31 HydrophobicContact SD-CD1 4.02Å; A27-L31 PolarHBondContact O-N 3.44Å; V28-L31 WeakPolarHBondContact O-CB 3.46Å; V28-L31 PolarHBondContact O-N 2.74Å; L31-H34 CarbonylContact O-C 3.48Å; L31-H34 VanDerWaalsContact O-C 3.3Å; L31-H34 PolarHBondContact O-N 3.24Å; L31-A35 WeakPolarHBondContact O-CA 3.24Å; L31-A35 PolarHBondContact O-N 3.32Å; L31-R194 HydrophobicContact CD2-CG 4.03Å; L31-I196 HydrophobicContact CB-CD1 4.26Å; L31-D212 HydrophobicContact CD1-CB 4.46Å; L31-A213 HydrophobicContact CD1-CB 4.09Å
32	W	98.1	Very high	94.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-46.4	179	175.6	-108.6	0	0	0	112.8	V28 K29 A30 H34 A35 V38 F40 L115 L119 I196 V198 I215 W232 L240 L244	V28-W32 WeakPolarHBondContact O-CB 3.28Å; V28-W32 PolarHBondContact O-N 2.72Å; K29-W32 WeakPolarHBondContact O-CB 3.25Å; K29-W32 PolarHBondContact O-N 3.26Å; A30-W32 VanDerWaalsContact C-N 3.32Å; W32-H34 PolarHBondContact O-N 3.46Å; W32-H34 VanDerWaalsContact O-N 3.16Å; W32-A35 PolarHBondContact O-N 3.5Å; W32-V38 HydrophobicContact CE3-CG2 4.43Å; W32-V38 HydrophobicContact CH2-CG1 4.43Å; W32-V38 HydrophobicContact CH2-CG2 4.38Å; W32-V38 HydrophobicContact CZ3-CB 4.5Å; W32-V38 HydrophobicContact CZ3-CG1 3.89Å; W32-V38 HydrophobicContact CZ3-CG2 3.74Å; W32-F40 HydrophobicContact CH2-CZ 4.39Å; W32-L115 HydrophobicContact CH2-CD1 3.96Å; W32-L115 HydrophobicContact CH2-CD2 4.41Å; W32-L115 HydrophobicContact CZ2-CD1 3.54Å; W32-L119 HydrophobicContact CH2-CD1 4.18Å; W32-L119 HydrophobicContact CH2-CD2 4.1Å; W32-L119 HydrophobicContact CZ2-CD2 4.26Å; W32-I196 VanDerWaalsContact CA-CD1 3.46Å; W32-I196 HydrophobicContact CB-CD1 4.11Å; W32-I196 HydrophobicContact CE3-CD1 3.85Å; W32-I196 HydrophobicContact CE3-CG2 4.32Å; W32-V198 HydrophobicContact CZ3-CG2 4.29Å; W32-I215 HydrophobicContact CD2-CD1 4.11Å; W32-I215 HydrophobicContact CE3-CD1 3.62Å; W32-I215 HydrophobicContact CZ3-CD1 4.16Å; W32-W232 HydrophobicContact CB-CZ3 4.28Å; W32-W232 AromaticContact CD1-CZ3 3.98Å; W32-W232 HydrophobicContact CG-CZ3 4.04Å; W32-L240 HydrophobicContact CH2-CB 4.42Å; W32-L240 HydrophobicContact CH2-CD1 3.98Å; W32-L240 HydrophobicContact CZ2-CB 3.65Å; W32-L240 HydrophobicContact CZ2-CD1 4.04Å; W32-L240 HydrophobicContact CZ2-CG 4.3Å; W32-L240 PolarHBondContact NE1-O 3.46Å; W32-L244 HydrophobicContact CZ2-CD1 4.16Å; W32-L244 HydrophobicContact CZ2-CD2 4.48Å; W32-L244 HydrophobicContact CZ2-CG 4.32Å
33	S	96.7	Very high	95.7	Very high	22 Å²	22	35.6 Å²	35.6	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-21.6	177.6	-61.8	0	0	0	0	113.8	K29 A30 R122 S247	K29-S33 PolarHBondContact O-N 3.45Å; K29-S33 PolarHBondContact O-OG 3.49Å; K29-S33 VanDerWaalsContact O-OG 3.07Å; A30-S33 PolarHBondContact O-N 2.75Å; S33-R122 PolarHBondContact O-NH1 3.41Å; S33-S247 WeakPolarHBondContact OG-CB 3.48Å
34	H	96.5	Very high	96.6	Very high	111 Å²	111	32.7 Å²	32.7	51%	0.514	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	24.1	-176.8	-58.6	-61.7	0	0	0	113.3	A30 L31 W32 R194	A30-H34 PolarHBondContact O-CD2 2.98Å; A30-H34 VanDerWaalsContact O-CD2 3.26Å; A30-H34 PolarHBondContact O-N 2.82Å; L31-H34 CarbonylContact O-C 3.48Å; L31-H34 VanDerWaalsContact O-C 3.3Å; L31-H34 PolarHBondContact O-N 3.24Å; W32-H34 PolarHBondContact O-N 3.46Å; W32-H34 VanDerWaalsContact O-N 3.16Å; H34-R194 VanDerWaalsContact O-CD 3.24Å; H34-R194 WeakPolarHBondContact O-CD 3.49Å; H34-R194 PolarHBondContact O-NE 3.46Å; H34-R194 PolarHBondContact O-NH1 2.83Å; H34-R194 PolarHBondContact O-NH2 3.35Å
35	A	98.4	Very high	97.1	Very high	8 Å²	8	27.8 Å²	27.8	7%	0.066	17%	0.165	C	C	.	.			trans	-59.2	141.1	-177.6	0	0	0	0	0	111.3	L31 W32 V38 V124 I196	L31-A35 WeakPolarHBondContact O-CA 3.24Å; L31-A35 PolarHBondContact O-N 3.32Å; W32-A35 PolarHBondContact O-N 3.5Å; A35-V38 HydrophobicContact CB-CG2 4.01Å; A35-V124 HydrophobicContact CB-CG1 4.2Å; A35-V124 WeakPolarHBondContact O-CG2 3.47Å; A35-I196 HydrophobicContact CB-CD1 3.94Å; A35-I196 HydrophobicContact CB-CG1 4.46Å
36	D	98.5	Very high	97.4	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	15%	0.146	C	C	.	.	S	Bend	trans	-85.2	-36.1	170.6	-52.9	-37.1	0	0	0	110.1	A125 Y192 K193 R194	D36-A125 PolarHBondContact O-N 2.93Å; D36-A125 VanDerWaalsContact O-N 3.08Å; D36-Y192 HydrophobicContact CB-CD1 3.71Å; D36-Y192 HydrophobicContact CB-CE1 4.48Å; D36-Y192 HydrophobicContact CB-CG 4.37Å; D36-K193 WeakPolarHBondContact OD2-CA 3.45Å; D36-K193 PolarHBondContact OD2-N 3.49Å; D36-R194 PolarHBondContact N-O 3.33Å; D36-R194 IonicContact OD1-CZ 3.31Å; D36-R194 VanDerWaalsContact OD1-CZ 3.31Å; D36-R194 IonicContact OD1-NE 3.08Å; D36-R194 PolarHBondContact OD1-NE 3Å; D36-R194 VanDerWaalsContact OD1-NE 3.08Å; D36-R194 IonicContact OD1-NH2 2.7Å; D36-R194 PolarHBondContact OD1-NH2 3.34Å; D36-R194 PolarHBondContact OD2-N 2.98Å; D36-R194 IonicContact OD2-NE 3.7Å
37	A	98.8	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.7	179	0	0	0	0	0	111.6	A125 Y127 Y192 R194 L195 I196	A37-A125 CarbonylContact C-O 3.37Å; A37-A125 WeakPolarHBondContact CA-O 2.95Å; A37-A125 HydrophobicContact CB-CB 4.09Å; A37-Y127 HydrophobicContact CB-CD2 4.44Å; A37-Y127 HydrophobicContact CB-CE2 4.07Å; A37-Y192 HydrophobicContact CB-CD1 4.06Å; A37-Y192 HydrophobicContact CB-CD2 3.66Å; A37-Y192 HydrophobicContact CB-CE1 4.12Å; A37-Y192 HydrophobicContact CB-CE2 3.72Å; A37-Y192 HydrophobicContact CB-CG 3.84Å; A37-R194 PolarHBondContact N-O 3.11Å; A37-L195 HydrophobicContact CB-CD1 4.33Å; A37-L195 HydrophobicContact CB-CG 4.34Å; A37-L195 WeakPolarHBondContact O-CA 3.32Å; A37-I196 PolarHBondContact O-N 3.49Å
38	V	98.9	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.6	172.8	-174.5	0	0	0	0	109.1	W32 A35 F40 L119 V124 A125 V126 Y127 I196 V198	W32-V38 HydrophobicContact CE3-CG2 4.43Å; W32-V38 HydrophobicContact CH2-CG1 4.43Å; W32-V38 HydrophobicContact CH2-CG2 4.38Å; W32-V38 HydrophobicContact CZ3-CB 4.5Å; W32-V38 HydrophobicContact CZ3-CG1 3.89Å; W32-V38 HydrophobicContact CZ3-CG2 3.74Å; A35-V38 HydrophobicContact CB-CG2 4.01Å; V38-F40 HydrophobicContact CB-CE2 3.89Å; V38-F40 HydrophobicContact CB-CZ 4.44Å; V38-F40 HydrophobicContact CG1-CD2 3.85Å; V38-F40 HydrophobicContact CG1-CE1 4.25Å; V38-F40 HydrophobicContact CG1-CE2 3.31Å; V38-F40 HydrophobicContact CG1-CZ 3.54Å; V38-L119 HydrophobicContact CB-CD1 4.35Å; V38-L119 HydrophobicContact CG2-CD1 4.27Å; V38-L119 HydrophobicContact CG2-CD2 4.25Å; V38-V124 HydrophobicContact CG2-CG1 3.88Å; V38-A125 PolarHBondContact N-O 3.39Å; V38-V126 WeakPolarHBondContact O-CA 3.35Å; V38-Y127 PolarHBondContact O-N 2.93Å; V38-I196 CarbonylContact C-O 3.48Å; V38-I196 WeakPolarHBondContact CA-O 3.46Å; V38-V198 HydrophobicContact CG1-CG2 3.75Å
39	C	98.9	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	170.7	-61.9	0	0	0	0	108.7	L129 I196 M197 V198	C39-L129 HydrophobicContact CB-CD1 3.95Å; C39-L129 HydrophobicContact CB-CD2 3.96Å; C39-I196 PolarHBondContact N-O 3.3Å; C39-M197 HydrophobicContact CB-SD 3.55Å; C39-M197 VanDerWaalsContact CB-SD 3.55Å; C39-M197 CarbonylContact O-C 3.58Å; C39-M197 WeakPolarHBondContact O-CA 3.48Å; C39-V198 PolarHBondContact O-N 3.3Å
40	F	98.9	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.8	176.2	-69.9	-89.9	0	0	0	110.5	W32 V38 V46 I112 L115 L119 V126 Y127 L128 L129 V198 F237	W32-F40 HydrophobicContact CH2-CZ 4.39Å; V38-F40 HydrophobicContact CB-CE2 3.89Å; V38-F40 HydrophobicContact CB-CZ 4.44Å; V38-F40 HydrophobicContact CG1-CD2 3.85Å; V38-F40 HydrophobicContact CG1-CE1 4.25Å; V38-F40 HydrophobicContact CG1-CE2 3.31Å; V38-F40 HydrophobicContact CG1-CZ 3.54Å; F40-V46 HydrophobicContact CB-CG2 3.69Å; F40-V46 HydrophobicContact CD1-CG2 4.32Å; F40-V46 HydrophobicContact CG-CG2 4.18Å; F40-I112 HydrophobicContact CD1-CD1 4.31Å; F40-I112 HydrophobicContact CE1-CD1 4.1Å; F40-I112 HydrophobicContact CZ-CD1 4.49Å; F40-L115 HydrophobicContact CE1-CD2 4Å; F40-L115 HydrophobicContact CZ-CD2 3.96Å; F40-L115 HydrophobicContact CZ-CG 4.42Å; F40-L119 HydrophobicContact CE2-CD1 3.77Å; F40-L119 HydrophobicContact CZ-CD1 3.79Å; F40-V126 HydrophobicContact CD2-CG1 3.96Å; F40-V126 HydrophobicContact CE2-CG1 4.03Å; F40-Y127 PolarHBondContact N-O 2.69Å; F40-L128 HydrophobicContact CB-CD2 4.14Å; F40-L129 PolarHBondContact O-N 2.95Å; F40-V198 CarbonylContact C-O 3.36Å; F40-V198 WeakPolarHBondContact CA-O 3.42Å; F40-V198 HydrophobicContact CD1-CB 3.66Å; F40-V198 HydrophobicContact CD1-CG1 3.97Å; F40-V198 HydrophobicContact CD1-CG2 4.13Å; F40-V198 HydrophobicContact CE1-CB 3.84Å; F40-V198 HydrophobicContact CE1-CG1 3.99Å; F40-V198 HydrophobicContact CE1-CG2 3.86Å; F40-V198 HydrophobicContact CG-CB 4.45Å; F40-V198 HydrophobicContact CZ-CG2 4.38Å; F40-F237 HydrophobicContact CD1-CE1 4.43Å; F40-F237 HydrophobicContact CE1-CE1 4.1Å
41	D	98.5	Very high	97.5	Very high	12 Å²	12	20 Å²	20	6%	0.064	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	155.5	155.6	-164.8	16.4	0	0	0	111.2	T45 V46 L129 K179 M197 V198 D204	D41-T45 HydrophobicContact CB-CG2 4.15Å; D41-T45 WeakPolarHBondContact O-CB 3.39Å; D41-T45 WeakPolarHBondContact O-CG2 3.48Å; D41-V46 WeakPolarHBondContact O-CG2 3.2Å; D41-V46 PolarHBondContact O-N 2.74Å; D41-L129 WeakPolarHBondContact CA-O 3.14Å; D41-K179 IonicContact OD1-NZ 2.98Å; D41-K179 PolarHBondContact OD1-NZ 2.84Å; D41-K179 IonicContact OD2-NZ 2.67Å; D41-K179 PolarHBondContact OD2-NZ 3.15Å; D41-M197 HydrophobicContact CB-CE 4.44Å; D41-V198 PolarHBondContact N-O 3.07Å; D41-D204 WeakPolarHBondContact CB-OD1 3.22Å
42	V	98.5	Very high	97.3	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.036	11%	0.105	C	C	.	.	I	π-helix	trans	-101.9	-64.8	-179.9	-176.1	0	0	0	0	111.5	T45 V46 C47 L128 T130 V137 V140	V42-T45 PolarHBondContact O-N 3.35Å; V42-V46 PolarHBondContact O-N 3.42Å; V42-C47 HydrophobicContact CG1-CB 4.44Å; V42-C47 PolarHBondContact O-N 3.28Å; V42-L128 HydrophobicContact CG2-CB 3.93Å; V42-T130 HydrophobicContact CB-CG2 4.12Å; V42-T130 HydrophobicContact CG2-CG2 3.77Å; V42-V137 HydrophobicContact CG1-CG2 4.44Å; V42-V137 HydrophobicContact CG2-CG2 3.81Å; V42-V140 HydrophobicContact CG1-CG2 4.4Å
43	D	96.8	Very high	97	Very high	17 Å²	17	22.2 Å²	22.2	9%	0.091	12%	0.124	C	C	.	.	I	π-helix	trans	-63.8	138.4	-177.5	-60.9	-69.6	0	0	0	109.7	T45 G49 E50 I51 T130	D43-T45 PolarHBondContact O-N 3.22Å; D43-G49 WeakPolarHBondContact CA-O 3.15Å; D43-E50 WeakPolarHBondContact CB-OE2 3.43Å; D43-I51 WeakPolarHBondContact OD1-CB 3.3Å; D43-I51 WeakPolarHBondContact OD1-CG2 3.49Å; D43-I51 PolarHBondContact OD1-N 3.49Å; D43-T130 PolarHBondContact OD2-OG1 2.79Å
44	S	97.2	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	53.1	11.7	-176	-64.7	0	0	0	0	116.4	C47 G49 E50 D200 N220 Q221	S44-C47 CarbonylContact C-O 3.48Å; S44-C47 VanDerWaalsContact CA-O 3.31Å; S44-C47 WeakPolarHBondContact CA-O 3.37Å; S44-C47 PolarHBondContact N-O 2.86Å; S44-G49 PolarHBondContact N-O 3.47Å; S44-G49 VanDerWaalsContact N-O 3.07Å; S44-E50 WeakPolarHBondContact CB-OE1 3.35Å; S44-E50 PolarHBondContact OG-OE1 3.35Å; S44-D200 WeakPolarHBondContact CB-OD1 3.37Å; S44-N220 WeakPolarHBondContact O-CB 3.32Å; S44-N220 PolarHBondContact O-ND2 2.93Å; S44-Q221 PolarHBondContact OG-NE2 3.43Å
45	T	98.7	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-130.4	-77.3	-179.6	-65.7	0	0	0	0	111.9	D41 V42 D43 C47 T109 D200 F217 N220 F237	D41-T45 HydrophobicContact CB-CG2 4.15Å; D41-T45 WeakPolarHBondContact O-CB 3.39Å; D41-T45 WeakPolarHBondContact O-CG2 3.48Å; V42-T45 PolarHBondContact O-N 3.35Å; D43-T45 PolarHBondContact O-N 3.22Å; T45-C47 PolarHBondContact N-O 3.38Å; T45-C47 VanDerWaalsContact N-O 3.08Å; T45-T109 VanDerWaalsContact O-CB 3.29Å; T45-T109 WeakPolarHBondContact O-CB 3.42Å; T45-T109 PolarHBondContact O-OG1 3.47Å; T45-T109 VanDerWaalsContact O-OG1 3.09Å; T45-D200 PolarHBondContact OG1-N 2.85Å; T45-D200 PolarHBondContact OG1-OD1 2.86Å; T45-D200 VanDerWaalsContact OG1-OD1 3.06Å; T45-F217 HydrophobicContact CG2-CB 4.4Å; T45-F217 HydrophobicContact CG2-CD1 4.27Å; T45-F217 HydrophobicContact CG2-CG 4.39Å; T45-N220 PolarHBondContact O-ND2 3.16Å; T45-F237 HydrophobicContact CG2-CZ 4.08Å; T45-F237 VanDerWaalsContact O-CE2 3.26Å; T45-F237 WeakPolarHBondContact O-CE2 3.47Å; T45-F237 WeakPolarHBondContact O-CZ 3.48Å
46	V	98.8	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-72.9	-37.8	174.7	165.7	0	0	0	0	110.5	F40 D41 V42 L108 T109 I112 L128 V140 L144	F40-V46 HydrophobicContact CB-CG2 3.69Å; F40-V46 HydrophobicContact CD1-CG2 4.32Å; F40-V46 HydrophobicContact CG-CG2 4.18Å; D41-V46 WeakPolarHBondContact O-CG2 3.2Å; D41-V46 PolarHBondContact O-N 2.74Å; V42-V46 PolarHBondContact O-N 3.42Å; V46-L108 HydrophobicContact CG1-CD2 4.1Å; V46-T109 PolarHBondContact O-N 3.06Å; V46-I112 HydrophobicContact CB-CG1 4.33Å; V46-I112 HydrophobicContact CG1-CG1 4.07Å; V46-I112 HydrophobicContact CG2-CD1 4.11Å; V46-I112 HydrophobicContact CG2-CG1 4.03Å; V46-L128 HydrophobicContact CG2-CD2 4.06Å; V46-V140 HydrophobicContact CG1-CG1 3.54Å; V46-L144 HydrophobicContact CG1-CD1 3.46Å; V46-L144 VanDerWaalsContact CG1-CD1 3.46Å
47	C	98.4	Very high	96.4	Very high	16 Å²	16	20.9 Å²	20.9	11%	0.108	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-103.1	150.4	171.8	-65.8	0	0	0	0	109.7	V42 S44 T45 G49 D107 N220	V42-C47 HydrophobicContact CG1-CB 4.44Å; V42-C47 PolarHBondContact O-N 3.28Å; S44-C47 CarbonylContact C-O 3.48Å; S44-C47 VanDerWaalsContact CA-O 3.31Å; S44-C47 WeakPolarHBondContact CA-O 3.37Å; S44-C47 PolarHBondContact N-O 2.86Å; T45-C47 PolarHBondContact N-O 3.38Å; T45-C47 VanDerWaalsContact N-O 3.08Å; C47-G49 VanDerWaalsContact C-N 3.35Å; C47-D107 VanDerWaalsContact CA-O 3.32Å; C47-D107 WeakPolarHBondContact CA-O 3.48Å; C47-N220 PolarHBondContact O-ND2 2.99Å
48	T	97.9	Very high	96.2	Very high	60 Å²	60	24.9 Å²	24.9	37%	0.368	13%	0.133	S	C	.	.	S	Bend	trans	-74.4	-24.8	-178.2	56.4	0	0	0	0	113.8	D107 T109	T48-D107 PolarHBondContact N-O 2.84Å; T48-D107 WeakPolarHBondContact OG1-CB 2.9Å; T48-D107 PolarHBondContact OG1-O 2.8Å; T48-T109 PolarHBondContact N-OG1 3.42Å
49	G	94.1	Very high	96	Very high	18 Å²	18	27.3 Å²	27.3	19%	0.186	15%	0.146	C	C	.	.	S	Bend	trans	-115.6	-175.8	-175	0	0	0	0	0	114.2	D43 S44 C47	D43-G49 WeakPolarHBondContact CA-O 3.15Å; S44-G49 PolarHBondContact N-O 3.47Å; S44-G49 VanDerWaalsContact N-O 3.07Å; C47-G49 VanDerWaalsContact C-N 3.35Å
50	E	93.7	Very high	95.7	Very high	53 Å²	53	30.3 Å²	30.3	25%	0.248	18%	0.177	C	C	.	.			trans	-110.1	120.2	179.2	-64.9	-75	160.6	0	0	110	D43 S44 I52 D53 Q54 R223	D43-E50 WeakPolarHBondContact CB-OE2 3.43Å; S44-E50 WeakPolarHBondContact CB-OE1 3.35Å; S44-E50 PolarHBondContact OG-OE1 3.35Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.4Å; E50-D53 HydrophobicContact CB-CB 4.12Å; E50-D53 PolarHBondContact O-N 2.87Å; E50-Q54 WeakPolarHBondContact O-CG 3.44Å; E50-Q54 PolarHBondContact O-N 3.42Å; E50-Q54 VanDerWaalsContact O-N 3.1Å; E50-R223 IonicContact OE1-NH2 2.62Å
51	I	94.7	Very high	95.3	Very high	18 Å²	18	33.1 Å²	33.1	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-35.9	-172	-169.2	58.2	0	0	0	113.7	D43 D53 Q54 M55 F100 F136	D43-I51 WeakPolarHBondContact OD1-CB 3.3Å; D43-I51 WeakPolarHBondContact OD1-CG2 3.49Å; D43-I51 PolarHBondContact OD1-N 3.49Å; I51-D53 VanDerWaalsContact C-N 3.35Å; I51-Q54 PolarHBondContact O-N 3.02Å; I51-M55 HydrophobicContact CG1-SD 4.35Å; I51-M55 VanDerWaalsContact O-CG 3.31Å; I51-M55 WeakPolarHBondContact O-CG 3.31Å; I51-M55 PolarHBondContact O-N 3.11Å; I51-F100 HydrophobicContact CD1-CE1 3.73Å; I51-F100 HydrophobicContact CD1-CZ 3.88Å; I51-F136 HydrophobicContact CD1-CB 3.92Å; I51-F136 HydrophobicContact CD1-CD1 3.68Å; I51-F136 HydrophobicContact CD1-CD2 4.15Å; I51-F136 HydrophobicContact CD1-CE1 4.32Å; I51-F136 HydrophobicContact CD1-CG 3.62Å; I51-F136 HydrophobicContact CG1-CB 3.91Å; I51-F136 HydrophobicContact CG1-CD1 4.1Å; I51-F136 HydrophobicContact CG1-CD2 3.61Å; I51-F136 HydrophobicContact CG1-CE2 4.2Å; I51-F136 HydrophobicContact CG1-CG 3.58Å
52	I	92.9	Very high	94.9	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-41.3	179.1	-69.1	173.4	0	0	0	110.6	E50 M55 A56 I65 L83 M90 F133	E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.4Å; I52-M55 PolarHBondContact O-N 3.49Å; I52-A56 WeakPolarHBondContact O-CB 3.46Å; I52-A56 PolarHBondContact O-N 3.49Å; I52-I65 HydrophobicContact CG2-CG2 4.47Å; I52-L83 HydrophobicContact CD1-CD1 3.69Å; I52-M90 HydrophobicContact CG2-CE 3.84Å; I52-F133 HydrophobicContact CG1-CE2 3.99Å; I52-F133 HydrophobicContact CG1-CZ 4.39Å
53	D	92.1	Very high	94.4	Very high	75 Å²	75	43 Å²	43	40%	0.401	23%	0.233	S	C	.	.	H	α-helix	trans	-68.6	-38.3	179.1	-69.6	-11	0	0	0	111	E50 I51 A56 D57	E50-D53 HydrophobicContact CB-CB 4.12Å; E50-D53 PolarHBondContact O-N 2.87Å; I51-D53 VanDerWaalsContact C-N 3.35Å; D53-A56 PolarHBondContact O-N 2.92Å; D53-D57 WeakPolarHBondContact O-CB 3.48Å; D53-D57 PolarHBondContact O-N 3.28Å
54	Q	94.4	Very high	94	Very high	57 Å²	57	47 Å²	47	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-43.6	173.7	-66.8	177	6.6	0	0	111.8	E50 I51 A56 D57 F58 F100	E50-Q54 WeakPolarHBondContact O-CG 3.44Å; E50-Q54 PolarHBondContact O-N 3.42Å; E50-Q54 VanDerWaalsContact O-N 3.1Å; I51-Q54 PolarHBondContact O-N 3.02Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.02Å; Q54-D57 PolarHBondContact O-N 2.88Å; Q54-F58 WeakPolarHBondContact O-CB 3.19Å; Q54-F58 PolarHBondContact O-N 2.91Å; Q54-F100 HydrophobicContact CB-CE2 4.08Å; Q54-F100 HydrophobicContact CB-CZ 3.78Å; Q54-F100 WeakPolarHBondContact O-CE2 3.3Å
55	M	95.3	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-42.8	175.4	-72.6	170.6	68.8	0	0	111.5	I51 I52 F58 L59 M90 P92 F96 F100 F133 F136 L156	I51-M55 HydrophobicContact CG1-SD 4.35Å; I51-M55 VanDerWaalsContact O-CG 3.31Å; I51-M55 WeakPolarHBondContact O-CG 3.31Å; I51-M55 PolarHBondContact O-N 3.11Å; I52-M55 PolarHBondContact O-N 3.49Å; M55-F58 PolarHBondContact O-N 3.25Å; M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.02Å; M55-L59 VanDerWaalsContact O-N 3.07Å; M55-M90 HydrophobicContact CB-SD 4Å; M55-P92 HydrophobicContact CE-CB 3.8Å; M55-P92 HydrophobicContact CE-CG 4.08Å; M55-F96 HydrophobicContact CB-CE1 4.39Å; M55-F96 HydrophobicContact CB-CZ 4.12Å; M55-F96 HydrophobicContact CE-CE1 3.82Å; M55-F96 HydrophobicContact CG-CE1 4.3Å; M55-F96 HydrophobicContact CG-CZ 4.34Å; M55-F100 HydrophobicContact CG-CD2 4.44Å; M55-F100 HydrophobicContact CG-CE1 4.46Å; M55-F100 HydrophobicContact CG-CE2 4.19Å; M55-F100 HydrophobicContact CG-CZ 4.16Å; M55-F133 HydrophobicContact CE-CD2 4.39Å; M55-F133 HydrophobicContact CE-CE2 4.18Å; M55-F133 HydrophobicContact SD-CD2 3.82Å; M55-F133 HydrophobicContact SD-CE2 3.75Å; M55-F136 HydrophobicContact CE-CE2 4.18Å; M55-F136 HydrophobicContact CE-CZ 4.08Å; M55-F136 HydrophobicContact CG-CZ 4.1Å; M55-F136 HydrophobicContact SD-CD2 4.43Å; M55-F136 HydrophobicContact SD-CE2 3.51Å; M55-F136 VanDerWaalsContact SD-CE2 3.51Å; M55-F136 HydrophobicContact SD-CZ 3.6Å; M55-L156 HydrophobicContact CE-CD1 4.43Å
56	A	93.8	Very high	92.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-43.1	177.7	0	0	0	0	0	111.8	I52 D53 Q54 L59 G60 K61 K62 I65 M90	I52-A56 WeakPolarHBondContact O-CB 3.46Å; I52-A56 PolarHBondContact O-N 3.49Å; D53-A56 PolarHBondContact O-N 2.92Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.02Å; A56-L59 PolarHBondContact O-N 3.16Å; A56-G60 PolarHBondContact O-N 2.8Å; A56-K61 PolarHBondContact O-N 3.17Å; A56-K62 PolarHBondContact O-N 3.35Å; A56-I65 HydrophobicContact CB-CB 3.94Å; A56-I65 HydrophobicContact CB-CG1 3.75Å; A56-I65 HydrophobicContact CB-CG2 4.15Å; A56-M90 HydrophobicContact CB-SD 4.29Å
57	D	94.2	Very high	92.2	Very high	93 Å²	93	56 Å²	56	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-46.4	175.3	-167	66.8	0	0	0	111.6	D53 Q54 L59 G60 K62	D53-D57 WeakPolarHBondContact O-CB 3.48Å; D53-D57 PolarHBondContact O-N 3.28Å; Q54-D57 PolarHBondContact O-N 2.88Å; D57-L59 PolarHBondContact O-N 3.39Å; D57-G60 PolarHBondContact O-N 3.41Å; D57-K62 HydrophobicContact CB-CB 4.5Å; D57-K62 HydrophobicContact CB-CD 4.2Å; D57-K62 VanDerWaalsContact OD1-CD 3.23Å; D57-K62 WeakPolarHBondContact OD1-CD 3.47Å; D57-K62 IonicContact OD1-NZ 2.99Å
58	F	94.6	Very high	91.4	Very high	85 Å²	85	56.9 Å²	56.9	37%	0.373	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-26.5	177.4	-161.2	-84.9	0	0	0	113.3	Q54 M55 F96 F100 N103	Q54-F58 WeakPolarHBondContact O-CB 3.19Å; Q54-F58 PolarHBondContact O-N 2.91Å; M55-F58 PolarHBondContact O-N 3.25Å; F58-F96 HydrophobicContact CB-CE2 4.34Å; F58-F96 HydrophobicContact CD1-CD2 4.23Å; F58-F96 AromaticContact CD1-CE2 3.6Å; F58-F96 HydrophobicContact CD1-CE2 3.6Å; F58-F96 HydrophobicContact CD1-CZ 4.45Å; F58-F96 HydrophobicContact CE1-CE2 4.37Å; F58-F96 HydrophobicContact CG-CE2 4.38Å; F58-F100 HydrophobicContact CB-CD2 3.6Å; F58-F100 HydrophobicContact CB-CE2 3.9Å; F58-F100 HydrophobicContact CD1-CB 4.48Å; F58-F100 HydrophobicContact CD1-CD2 4.15Å; F58-F100 AromaticContact CD2-CD2 3.87Å; F58-F100 HydrophobicContact CD2-CD2 3.87Å; F58-F100 HydrophobicContact CD2-CE2 4.39Å; F58-F100 HydrophobicContact CE1-CB 4.49Å; F58-F100 AromaticContact CG-CD2 3.61Å; F58-F100 HydrophobicContact CG-CD2 3.61Å; F58-F100 HydrophobicContact CG-CE2 4.28Å; F58-N103 HydrophobicContact CE2-CB 3.78Å; F58-N103 HydrophobicContact CZ-CB 4Å
59	L	93.5	Very high	90.4	Very high	50 Å²	50	55.4 Å²	55.4	26%	0.262	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.4	173.2	-73.5	171.5	0	0	0	113.8	M55 A56 D57 K61 M90 F96	M55-L59 WeakPolarHBondContact O-CG 3.41Å; M55-L59 PolarHBondContact O-N 3.02Å; M55-L59 VanDerWaalsContact O-N 3.07Å; A56-L59 PolarHBondContact O-N 3.16Å; D57-L59 PolarHBondContact O-N 3.39Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 HydrophobicContact CB-CB 4.28Å; L59-K61 HydrophobicContact CB-CD 4.15Å; L59-K61 HydrophobicContact CB-CG 4.05Å; L59-K61 HydrophobicContact CD1-CD 4.46Å; L59-M90 HydrophobicContact CD1-CB 3.69Å; L59-M90 HydrophobicContact CD1-CG 3.84Å; L59-M90 HydrophobicContact CD1-SD 4.36Å; L59-F96 HydrophobicContact CD1-CE1 4.41Å; L59-F96 HydrophobicContact CD1-CE2 4.04Å; L59-F96 HydrophobicContact CD1-CZ 3.95Å; L59-F96 HydrophobicContact CD2-CD2 3.33Å; L59-F96 HydrophobicContact CD2-CE2 3.28Å; L59-F96 HydrophobicContact CD2-CG 4.11Å; L59-F96 HydrophobicContact CD2-CZ 4.04Å; L59-F96 HydrophobicContact CG-CD2 3.94Å; L59-F96 HydrophobicContact CG-CE2 3.31Å; L59-F96 HydrophobicContact CG-CZ 3.67Å
60	G	92.1	Very high	89.7	Confident	63 Å²	63	58.1 Å²	58.1	65%	0.649	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	28	-170	0	0	0	0	0	113.4	A56 D57	A56-G60 PolarHBondContact O-N 2.8Å; D57-G60 PolarHBondContact O-N 3.41Å
61	K	92	Very high	89	Confident	59 Å²	59	62.7 Å²	62.7	26%	0.257	33%	0.327	S	S	.	.			trans	-115.4	13.5	-177.2	-66.9	-177.1	177.7	177.4	0	113.3	A56 L59 E63 E64 I65 I89 M90	A56-K61 PolarHBondContact O-N 3.17Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 HydrophobicContact CB-CB 4.28Å; L59-K61 HydrophobicContact CB-CD 4.15Å; L59-K61 HydrophobicContact CB-CG 4.05Å; L59-K61 HydrophobicContact CD1-CD 4.46Å; K61-E63 PolarHBondContact O-N 3.45Å; K61-E64 PolarHBondContact O-N 2.98Å; K61-I65 HydrophobicContact CB-CG1 4.44Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 2.75Å; K61-I89 HydrophobicContact CD-CG2 4.22Å; K61-I89 PolarHBondContact NZ-O 2.89Å; K61-M90 PolarHBondContact NZ-O 3.35Å
62	K	88.7	Confident	88.1	Confident	101 Å²	101	62 Å²	62	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-56.3	-46.6	-173.7	-178.4	172	-179.5	175.2	0	113	A56 D57 I65 S66	A56-K62 PolarHBondContact O-N 3.35Å; D57-K62 HydrophobicContact CB-CB 4.5Å; D57-K62 HydrophobicContact CB-CD 4.2Å; D57-K62 VanDerWaalsContact OD1-CD 3.23Å; D57-K62 WeakPolarHBondContact OD1-CD 3.47Å; D57-K62 IonicContact OD1-NZ 2.99Å; K62-I65 PolarHBondContact O-N 3.29Å; K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 2.71Å
63	E	88.5	Confident	86.8	Confident	125 Å²	125	68.4 Å²	68.4	58%	0.584	36%	0.355	S	S	*	.	H	α-helix	trans	-65.3	-42.3	-178	-67.8	68.5	-152.2	0	0	111.4	K61 S66 Q67	K61-E63 PolarHBondContact O-N 3.45Å; E63-S66 PolarHBondContact O-N 3.26Å; E63-Q67 VanDerWaalsContact O-CG 3.27Å; E63-Q67 WeakPolarHBondContact O-CG 3.39Å; E63-Q67 PolarHBondContact O-N 2.96Å
64	E	88	Confident	85.8	Confident	102 Å²	102	71.6 Å²	71.6	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-45.9	178.9	-168.6	-178.9	178.5	0	0	111.1	K61 L68 I89	K61-E64 PolarHBondContact O-N 2.98Å; E64-L68 PolarHBondContact O-N 3.27Å; E64-L68 VanDerWaalsContact O-N 3.12Å; E64-I89 HydrophobicContact CG-CD1 4.22Å; E64-I89 HydrophobicContact CG-CG2 3.98Å; E64-I89 WeakPolarHBondContact OE1-CG2 3.15Å; E64-I89 WeakPolarHBondContact OE2-CG2 3.46Å
65	I	88.1	Confident	84.8	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-66.6	-43.5	177.9	-66	-63.5	0	0	0	111.4	I52 A56 K61 K62 Q67 L68 T69 R86 I89 M90	I52-I65 HydrophobicContact CG2-CG2 4.47Å; A56-I65 HydrophobicContact CB-CB 3.94Å; A56-I65 HydrophobicContact CB-CG1 3.75Å; A56-I65 HydrophobicContact CB-CG2 4.15Å; K61-I65 HydrophobicContact CB-CG1 4.44Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 2.75Å; K62-I65 PolarHBondContact O-N 3.29Å; I65-Q67 PolarHBondContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 2.75Å; I65-T69 PolarHBondContact O-N 3.17Å; I65-T69 PolarHBondContact O-OG1 2.58Å; I65-R86 HydrophobicContact CD1-CB 4.01Å; I65-R86 HydrophobicContact CD1-CG 4.2Å; I65-R86 WeakPolarHBondContact CD1-O 3.27Å; I65-R86 HydrophobicContact CG2-CG 4.15Å; I65-I89 HydrophobicContact CD1-CB 3.83Å; I65-I89 HydrophobicContact CD1-CD1 4.32Å; I65-I89 HydrophobicContact CD1-CG2 3.69Å; I65-I89 HydrophobicContact CG1-CG2 4.37Å; I65-M90 HydrophobicContact CD1-CG 3.94Å; I65-M90 HydrophobicContact CG1-CG 4.21Å
66	S	84.5	Confident	83.9	Confident	65 Å²	65	75.4 Å²	75.4	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-42.1	179	-176.6	0	0	0	0	112.5	K62 E63 T69 T70	K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 2.71Å; E63-S66 PolarHBondContact O-N 3.26Å; S66-T69 PolarHBondContact O-N 2.95Å; S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.41Å
67	Q	85.1	Confident	83.4	Confident	122 Å²	122	78.6 Å²	78.6	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-64.7	-41.3	176.1	-72.3	177.3	23	0	0	112.1	E63 I65 K71	E63-Q67 VanDerWaalsContact O-CG 3.27Å; E63-Q67 WeakPolarHBondContact O-CG 3.39Å; E63-Q67 PolarHBondContact O-N 2.96Å; I65-Q67 PolarHBondContact O-N 3.12Å; Q67-K71 WeakPolarHBondContact O-CG 3.34Å; Q67-K71 PolarHBondContact O-N 2.76Å; Q67-K71 VanDerWaalsContact O-N 3.17Å
68	L	82.2	Confident	83	Confident	36 Å²	36	75.5 Å²	75.5	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-63.7	-47.9	175.9	-177.8	73.4	0	0	0	111.2	E64 I65 T70 K71 A72 L85 R86 I89	E64-L68 PolarHBondContact O-N 3.27Å; E64-L68 VanDerWaalsContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 2.75Å; L68-T70 VanDerWaalsContact C-N 3.3Å; L68-T70 PolarHBondContact O-N 3.35Å; L68-K71 PolarHBondContact O-N 3.27Å; L68-K71 VanDerWaalsContact O-N 3.14Å; L68-A72 WeakPolarHBondContact O-CB 3.49Å; L68-A72 PolarHBondContact O-N 3.12Å; L68-L85 HydrophobicContact CD1-CB 4.33Å; L68-L85 HydrophobicContact CD1-CD1 4.21Å; L68-L85 HydrophobicContact CD2-CB 3.49Å; L68-L85 VanDerWaalsContact CD2-CB 3.49Å; L68-L85 HydrophobicContact CG-CB 4.36Å; L68-R86 HydrophobicContact CD2-CB 4.47Å; L68-R86 HydrophobicContact CD2-CG 3.77Å; L68-I89 HydrophobicContact CB-CD1 4.35Å; L68-I89 HydrophobicContact CD2-CD1 3.53Å; L68-I89 HydrophobicContact CG-CD1 4.34Å
69	T	77	Confident	82.6	Confident	28 Å²	28	73.9 Å²	73.9	17%	0.172	42%	0.421	C	S	.	.	H	α-helix	trans	-56.8	-45.2	178.7	-59.1	0	0	0	0	111.1	I65 S66 K71 A72 M73 R86	I65-T69 PolarHBondContact O-N 3.17Å; I65-T69 PolarHBondContact O-OG1 2.58Å; S66-T69 PolarHBondContact O-N 2.95Å; T69-K71 VanDerWaalsContact C-N 3.34Å; T69-K71 PolarHBondContact O-N 3.3Å; T69-A72 PolarHBondContact O-N 3.41Å; T69-M73 HydrophobicContact CG2-SD 4.23Å; T69-M73 WeakPolarHBondContact O-CG 3.41Å; T69-M73 PolarHBondContact O-N 3.25Å; T69-R86 WeakPolarHBondContact OG1-CD 3.5Å
70	T	78.3	Confident	82.4	Confident	76 Å²	76	74 Å²	74	47%	0.466	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-40.8	178.4	-57.6	0	0	0	0	112	S66 L68 N74	S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.41Å; L68-T70 VanDerWaalsContact C-N 3.3Å; L68-T70 PolarHBondContact O-N 3.35Å; T70-N74 PolarHBondContact O-N 3.24Å; T70-N74 PolarHBondContact O-ND2 3.02Å
71	K	78.7	Confident	82.4	Confident	148 Å²	148	76 Å²	76	64%	0.643	41%	0.411	S	S	*	.	H	α-helix	trans	-68.3	-40.8	176.3	-72.7	174.6	-178.3	173.2	0	112.3	Q67 L68 T69 N74 G75	Q67-K71 WeakPolarHBondContact O-CG 3.34Å; Q67-K71 PolarHBondContact O-N 2.76Å; Q67-K71 VanDerWaalsContact O-N 3.17Å; L68-K71 PolarHBondContact O-N 3.27Å; L68-K71 VanDerWaalsContact O-N 3.14Å; T69-K71 VanDerWaalsContact C-N 3.34Å; T69-K71 PolarHBondContact O-N 3.3Å; K71-N74 PolarHBondContact O-N 3.18Å; K71-G75 PolarHBondContact O-N 3.31Å
72	A	75.7	Confident	82.3	Confident	3 Å²	3	73.8 Å²	73.8	3%	0.025	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-48.1	178.5	0	0	0	0	0	111.5	L68 T69 N74 G75 G76 M77	L68-A72 WeakPolarHBondContact O-CB 3.49Å; L68-A72 PolarHBondContact O-N 3.12Å; T69-A72 PolarHBondContact O-N 3.41Å; A72-N74 PolarHBondContact O-N 3.15Å; A72-G75 PolarHBondContact O-N 2.71Å; A72-G76 PolarHBondContact O-N 3.25Å; A72-M77 HydrophobicContact CB-CB 4Å; A72-M77 HydrophobicContact CB-CE 4.24Å; A72-M77 HydrophobicContact CB-CG 4.29Å; A72-M77 HydrophobicContact CB-SD 3.5Å; A72-M77 VanDerWaalsContact CB-SD 3.5Å; A72-M77 VanDerWaalsContact O-CB 3.31Å; A72-M77 WeakPolarHBondContact O-CB 3.35Å; A72-M77 PolarHBondContact O-N 3.38Å
73	M	65.9	Low	82.4	Confident	148 Å²	148	69 Å²	69	73%	0.729	38%	0.382	S	S	*	.	H	α-helix	trans	-63.7	-40.2	178.7	-68.5	-178.7	72.5	0	0	112.5	T69 G75	T69-M73 HydrophobicContact CG2-SD 4.23Å; T69-M73 WeakPolarHBondContact O-CG 3.41Å; T69-M73 PolarHBondContact O-N 3.25Å; M73-G75 VanDerWaalsContact C-N 3.29Å; M73-G75 PolarHBondContact O-N 2.86Å
74	N	71.2	Confident	82.7	Confident	141 Å²	141	64.8 Å²	64.8	75%	0.754	36%	0.364	S	S	*	.	H	α-helix	trans	-71.1	-24.4	176.6	-71.8	-23.8	0	0	0	113.2	T70 K71 A72	T70-N74 PolarHBondContact O-N 3.24Å; T70-N74 PolarHBondContact O-ND2 3.02Å; K71-N74 PolarHBondContact O-N 3.18Å; A72-N74 PolarHBondContact O-N 3.15Å
75	G	72.4	Confident	82.9	Confident	65 Å²	65	62.6 Å²	62.6	67%	0.67	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.7	-177.4	0	0	0	0	0	115.2	K71 A72 M73 M77	K71-G75 PolarHBondContact O-N 3.31Å; A72-G75 PolarHBondContact O-N 2.71Å; M73-G75 VanDerWaalsContact C-N 3.29Å; M73-G75 PolarHBondContact O-N 2.86Å; G75-M77 VanDerWaalsContact C-N 3.32Å
76	G	77	Confident	83.2	Confident	73 Å²	73	63.7 Å²	63.7	75%	0.753	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	26.7	-173.9	0	0	0	0	0	113.7	A72	A72-G76 PolarHBondContact O-N 3.25Å
77	M	83.7	Confident	83.7	Confident	67 Å²	67	60.6 Å²	60.6	33%	0.33	34%	0.338	S	S	.	.			trans	-68.8	139.6	177.6	-174.2	176.3	-70.8	0	0	111	A72 G75 E81 S82 L85	A72-M77 HydrophobicContact CB-CB 4Å; A72-M77 HydrophobicContact CB-CE 4.24Å; A72-M77 HydrophobicContact CB-CG 4.29Å; A72-M77 HydrophobicContact CB-SD 3.5Å; A72-M77 VanDerWaalsContact CB-SD 3.5Å; A72-M77 VanDerWaalsContact O-CB 3.31Å; A72-M77 WeakPolarHBondContact O-CB 3.35Å; A72-M77 PolarHBondContact O-N 3.38Å; G75-M77 VanDerWaalsContact C-N 3.32Å; M77-E81 HydrophobicContact CG-CB 3.39Å; M77-E81 HydrophobicContact CG-CG 4.45Å; M77-E81 HydrophobicContact SD-CB 3.9Å; M77-S82 VanDerWaalsContact SD-CA 3.57Å; M77-S82 PolarHBondContact SD-N 2.93Å; M77-L85 HydrophobicContact CE-CD1 3.43Å; M77-L85 VanDerWaalsContact CE-CD1 3.43Å; M77-L85 HydrophobicContact SD-CD1 3.61Å
78	S	85.6	Confident	84.1	Confident	28 Å²	28	59.9 Å²	59.9	20%	0.196	34%	0.335	C	S	.	.			trans	-65.7	158.8	174.2	63.6	0	0	0	0	111.9	R80 E81 S82 D176	S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 3.19Å; S78-E81 WeakPolarHBondContact CB-OE2 3.19Å; S78-E81 PolarHBondContact N-OE2 3.43Å; S78-E81 PolarHBondContact O-N 2.88Å; S78-E81 WeakPolarHBondContact OG-CB 3.29Å; S78-E81 VanDerWaalsContact OG-CD 3.24Å; S78-E81 WeakPolarHBondContact OG-CG 3.49Å; S78-E81 PolarHBondContact OG-N 2.95Å; S78-E81 PolarHBondContact OG-OE2 3.31Å; S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 3.12Å; S78-D176 WeakPolarHBondContact CB-OD2 3.49Å
79	F	86.2	Confident	84.6	Confident	51 Å²	51	60 Å²	60	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-42.8	174.5	177.3	-96.1	0	0	0	111.8	S82 L83 T173 D176	F79-S82 PolarHBondContact O-N 2.89Å; F79-L83 HydrophobicContact CE1-CB 4.44Å; F79-L83 HydrophobicContact CE1-CD2 3.93Å; F79-L83 HydrophobicContact CZ-CD2 4.36Å; F79-L83 VanDerWaalsContact O-CB 3.29Å; F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 PolarHBondContact O-N 3.43Å; F79-T173 WeakPolarHBondContact CE1-O 3.44Å; F79-D176 WeakPolarHBondContact CA-OD1 3.45Å; F79-D176 WeakPolarHBondContact CB-OD1 3.42Å; F79-D176 PolarHBondContact N-OD1 3.4Å
80	R	90.6	Very high	85.4	Confident	53 Å²	53	58.7 Å²	58.7	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-51.2	178.8	-174.5	176.4	-78	147.5	-1.5	111.6	S78 S82 L83 T84 F167 E169 S174 E175	S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 3.19Å; R80-S82 VanDerWaalsContact C-N 3.3Å; R80-S82 PolarHBondContact O-N 3.06Å; R80-L83 PolarHBondContact O-N 3.04Å; R80-T84 WeakPolarHBondContact O-CB 3.44Å; R80-T84 PolarHBondContact O-N 3.46Å; R80-T84 PolarHBondContact O-OG1 2.95Å; R80-T84 VanDerWaalsContact O-OG1 3.05Å; R80-F167 HydrophobicContact CG-CE2 4.33Å; R80-F167 HydrophobicContact CG-CZ 3.96Å; R80-E169 PolarHBondContact NH2-O 3.23Å; R80-S174 WeakPolarHBondContact CA-O 3.42Å; R80-S174 VanDerWaalsContact CB-O 3.29Å; R80-S174 WeakPolarHBondContact CB-O 3.42Å; R80-S174 PolarHBondContact NH2-OG 2.91Å; R80-E175 IonicContact CZ-OE1 2.84Å; R80-E175 IonicContact CZ-OE2 3.41Å; R80-E175 VanDerWaalsContact NH1-CD 3.27Å; R80-E175 IonicContact NH1-OE1 2.76Å; R80-E175 PolarHBondContact NH1-OE1 3.1Å; R80-E175 IonicContact NH1-OE2 2.71Å; R80-E175 PolarHBondContact NH1-OE2 3.22Å; R80-E175 VanDerWaalsContact NH2-CG 3.33Å; R80-E175 IonicContact NH2-OE1 3.23Å; R80-E175 PolarHBondContact NH2-OE1 3.31Å; R80-E175 IonicContact NH2-OE2 2.71Å
81	E	90.5	Very high	86.3	Confident	105 Å²	105	59.8 Å²	59.8	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-43.5	179.8	-71.8	166.1	133.4	0	0	111.1	M77 S78 L83 T84 L85	M77-E81 HydrophobicContact CG-CB 3.39Å; M77-E81 HydrophobicContact CG-CG 4.45Å; M77-E81 HydrophobicContact SD-CB 3.9Å; S78-E81 WeakPolarHBondContact CB-OE2 3.19Å; S78-E81 PolarHBondContact N-OE2 3.43Å; S78-E81 PolarHBondContact O-N 2.88Å; S78-E81 WeakPolarHBondContact OG-CB 3.29Å; S78-E81 VanDerWaalsContact OG-CD 3.24Å; S78-E81 WeakPolarHBondContact OG-CG 3.49Å; S78-E81 PolarHBondContact OG-N 2.95Å; S78-E81 PolarHBondContact OG-OE2 3.31Å; E81-L83 PolarHBondContact O-N 2.95Å; E81-T84 PolarHBondContact O-N 3.46Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.28Å
82	S	89.6	Confident	87.1	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.3	177	0	0	0	0	112	M77 S78 F79 R80 R86	M77-S82 VanDerWaalsContact SD-CA 3.57Å; M77-S82 PolarHBondContact SD-N 2.93Å; S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 3.12Å; F79-S82 PolarHBondContact O-N 2.89Å; R80-S82 VanDerWaalsContact C-N 3.3Å; R80-S82 PolarHBondContact O-N 3.06Å; S82-R86 WeakPolarHBondContact O-CB 3.45Å; S82-R86 VanDerWaalsContact O-CG 3.25Å; S82-R86 WeakPolarHBondContact O-CG 3.43Å; S82-R86 PolarHBondContact O-N 3.21Å; S82-R86 VanDerWaalsContact O-N 3.11Å; S82-R86 PolarHBondContact O-NE 3.26Å; S82-R86 PolarHBondContact OG-NE 3.35Å; S82-R86 PolarHBondContact OG-NH2 2.99Å
83	L	92.4	Very high	88.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-46.6	175.6	-177.7	61.3	0	0	0	111.4	I52 F79 R80 E81 L85 R86 L87 F133 F167	I52-L83 HydrophobicContact CD1-CD1 3.69Å; F79-L83 HydrophobicContact CE1-CB 4.44Å; F79-L83 HydrophobicContact CE1-CD2 3.93Å; F79-L83 HydrophobicContact CZ-CD2 4.36Å; F79-L83 VanDerWaalsContact O-CB 3.29Å; F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 PolarHBondContact O-N 3.43Å; R80-L83 PolarHBondContact O-N 3.04Å; E81-L83 PolarHBondContact O-N 2.95Å; L83-L85 PolarHBondContact O-N 2.94Å; L83-R86 PolarHBondContact O-N 3.13Å; L83-L87 HydrophobicContact CD1-CD1 3.83Å; L83-L87 HydrophobicContact CD1-CG 4.16Å; L83-L87 HydrophobicContact CG-CD1 3.83Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.08Å; L83-F133 HydrophobicContact CD1-CE1 4.28Å; L83-F133 HydrophobicContact CD1-CZ 3.88Å; L83-F167 HydrophobicContact CD2-CD2 4.34Å; L83-F167 HydrophobicContact CD2-CE1 4.38Å; L83-F167 HydrophobicContact CD2-CE2 4.12Å; L83-F167 HydrophobicContact CD2-CZ 4.13Å; L83-F167 HydrophobicContact CG-CE1 4.27Å; L83-F167 HydrophobicContact CG-CZ 4.37Å
84	T	94.1	Very high	89.6	Confident	36 Å²	36	49.7 Å²	49.7	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-50.1	177.3	-63.5	0	0	0	0	111.5	R80 E81 R86 L87 Q88 F167	R80-T84 WeakPolarHBondContact O-CB 3.44Å; R80-T84 PolarHBondContact O-N 3.46Å; R80-T84 PolarHBondContact O-OG1 2.95Å; R80-T84 VanDerWaalsContact O-OG1 3.05Å; E81-T84 PolarHBondContact O-N 3.46Å; T84-R86 PolarHBondContact O-N 3.11Å; T84-L87 PolarHBondContact O-N 3.26Å; T84-Q88 HydrophobicContact CG2-CG 4.32Å; T84-Q88 WeakPolarHBondContact O-CB 3.5Å; T84-Q88 VanDerWaalsContact O-CG 3.24Å; T84-Q88 WeakPolarHBondContact O-CG 3.32Å; T84-Q88 PolarHBondContact O-N 2.97Å; T84-F167 WeakPolarHBondContact OG1-CE1 3.42Å; T84-F167 WeakPolarHBondContact OG1-CZ 3.44Å
85	L	92.6	Very high	90.9	Very high	57 Å²	57	49.2 Å²	49.2	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-43	-179.4	-68.5	175	0	0	0	112.1	L68 M77 E81 L83 L87 Q88 I89	L68-L85 HydrophobicContact CD1-CB 4.33Å; L68-L85 HydrophobicContact CD1-CD1 4.21Å; L68-L85 HydrophobicContact CD2-CB 3.49Å; L68-L85 VanDerWaalsContact CD2-CB 3.49Å; L68-L85 HydrophobicContact CG-CB 4.36Å; M77-L85 HydrophobicContact CE-CD1 3.43Å; M77-L85 VanDerWaalsContact CE-CD1 3.43Å; M77-L85 HydrophobicContact SD-CD1 3.61Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.28Å; L83-L85 PolarHBondContact O-N 2.94Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.45Å; L85-Q88 PolarHBondContact O-N 3.43Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 3.34Å
86	R	94	Very high	92	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-42.1	177.8	-72.5	177.4	-69.1	166.9	-0.8	111.6	I65 L68 T69 S82 L83 T84 I89 M90	I65-R86 HydrophobicContact CD1-CB 4.01Å; I65-R86 HydrophobicContact CD1-CG 4.2Å; I65-R86 WeakPolarHBondContact CD1-O 3.27Å; I65-R86 HydrophobicContact CG2-CG 4.15Å; L68-R86 HydrophobicContact CD2-CB 4.47Å; L68-R86 HydrophobicContact CD2-CG 3.77Å; T69-R86 WeakPolarHBondContact OG1-CD 3.5Å; S82-R86 WeakPolarHBondContact O-CB 3.45Å; S82-R86 VanDerWaalsContact O-CG 3.25Å; S82-R86 WeakPolarHBondContact O-CG 3.43Å; S82-R86 PolarHBondContact O-N 3.21Å; S82-R86 VanDerWaalsContact O-N 3.11Å; S82-R86 PolarHBondContact O-NE 3.26Å; S82-R86 PolarHBondContact OG-NE 3.35Å; S82-R86 PolarHBondContact OG-NH2 2.99Å; L83-R86 PolarHBondContact O-N 3.13Å; T84-R86 PolarHBondContact O-N 3.11Å; R86-I89 PolarHBondContact O-N 2.95Å; R86-M90 HydrophobicContact CB-CE 4.2Å; R86-M90 WeakPolarHBondContact O-CE 3.4Å; R86-M90 WeakPolarHBondContact O-CG 2.91Å; R86-M90 PolarHBondContact O-N 3.02Å
87	L	95	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.8	-34.4	177.2	-72.6	170.7	0	0	0	113	L83 T84 L85 I89 M90 Q91 P92 F133 L156 Y164 F167	L83-L87 HydrophobicContact CD1-CD1 3.83Å; L83-L87 HydrophobicContact CD1-CG 4.16Å; L83-L87 HydrophobicContact CG-CD1 3.83Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.08Å; T84-L87 PolarHBondContact O-N 3.26Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.45Å; L87-I89 VanDerWaalsContact C-N 3.26Å; L87-I89 PolarHBondContact O-N 2.84Å; L87-M90 HydrophobicContact CD2-CE 3.84Å; L87-M90 HydrophobicContact CG-CE 4.36Å; L87-M90 PolarHBondContact O-N 3.21Å; L87-Q91 PolarHBondContact O-N 2.94Å; L87-P92 HydrophobicContact CD2-CG 3.86Å; L87-F133 HydrophobicContact CD1-CE1 3.89Å; L87-F133 HydrophobicContact CD1-CZ 3.91Å; L87-F133 HydrophobicContact CD2-CE1 4.25Å; L87-F133 HydrophobicContact CD2-CE2 4.37Å; L87-F133 HydrophobicContact CD2-CZ 3.66Å; L87-F133 HydrophobicContact CG-CZ 4.16Å; L87-L156 HydrophobicContact CD1-CD2 4.16Å; L87-L156 HydrophobicContact CD2-CD2 3.83Å; L87-Y164 HydrophobicContact CB-CE1 4.14Å; L87-Y164 HydrophobicContact CB-CE2 4.3Å; L87-Y164 WeakPolarHBondContact CB-OH 3.48Å; L87-Y164 HydrophobicContact CD1-CE2 4.39Å; L87-Y164 WeakPolarHBondContact CD1-OH 3.45Å; L87-Y164 HydrophobicContact CD2-CE2 4.4Å; L87-F167 HydrophobicContact CD1-CB 4.44Å; L87-F167 HydrophobicContact CD1-CD1 3.49Å; L87-F167 VanDerWaalsContact CD1-CD1 3.49Å; L87-F167 HydrophobicContact CD1-CE1 4.08Å; L87-F167 HydrophobicContact CD1-CG 4.22Å
88	Q	93.2	Very high	93.6	Very high	106 Å²	106	44 Å²	44	50%	0.495	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-36.1	173.1	-80.4	176.9	-13.6	0	0	112.1	T84 L85 Q91	T84-Q88 HydrophobicContact CG2-CG 4.32Å; T84-Q88 WeakPolarHBondContact O-CB 3.5Å; T84-Q88 VanDerWaalsContact O-CG 3.24Å; T84-Q88 WeakPolarHBondContact O-CG 3.32Å; T84-Q88 PolarHBondContact O-N 2.97Å; L85-Q88 PolarHBondContact O-N 3.43Å; Q88-Q91 WeakPolarHBondContact O-CG 3.49Å; Q88-Q91 PolarHBondContact O-NE2 2.82Å
89	I	92.8	Very high	94.2	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.195	23%	0.232	C	C	.	.	H	α-helix	trans	-71.4	-49	172.7	-69.1	172.5	0	0	0	110.4	K61 E64 I65 L68 L85 R86 L87	K61-I89 HydrophobicContact CD-CG2 4.22Å; K61-I89 PolarHBondContact NZ-O 2.89Å; E64-I89 HydrophobicContact CG-CD1 4.22Å; E64-I89 HydrophobicContact CG-CG2 3.98Å; E64-I89 WeakPolarHBondContact OE1-CG2 3.15Å; E64-I89 WeakPolarHBondContact OE2-CG2 3.46Å; I65-I89 HydrophobicContact CD1-CB 3.83Å; I65-I89 HydrophobicContact CD1-CD1 4.32Å; I65-I89 HydrophobicContact CD1-CG2 3.69Å; I65-I89 HydrophobicContact CG1-CG2 4.37Å; L68-I89 HydrophobicContact CB-CD1 4.35Å; L68-I89 HydrophobicContact CD2-CD1 3.53Å; L68-I89 HydrophobicContact CG-CD1 4.34Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 3.34Å; R86-I89 PolarHBondContact O-N 2.95Å; L87-I89 VanDerWaalsContact C-N 3.26Å; L87-I89 PolarHBondContact O-N 2.84Å
90	M	94.9	Very high	94.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-44.8	-175.8	-76.8	-172.4	-78.6	0	0	112.8	I52 M55 A56 L59 K61 I65 R86 L87	I52-M90 HydrophobicContact CG2-CE 3.84Å; M55-M90 HydrophobicContact CB-SD 4Å; A56-M90 HydrophobicContact CB-SD 4.29Å; L59-M90 HydrophobicContact CD1-CB 3.69Å; L59-M90 HydrophobicContact CD1-CG 3.84Å; L59-M90 HydrophobicContact CD1-SD 4.36Å; K61-M90 PolarHBondContact NZ-O 3.35Å; I65-M90 HydrophobicContact CD1-CG 3.94Å; I65-M90 HydrophobicContact CG1-CG 4.21Å; R86-M90 HydrophobicContact CB-CE 4.2Å; R86-M90 WeakPolarHBondContact O-CE 3.4Å; R86-M90 WeakPolarHBondContact O-CG 2.91Å; R86-M90 PolarHBondContact O-N 3.02Å; L87-M90 HydrophobicContact CD2-CE 3.84Å; L87-M90 HydrophobicContact CG-CE 4.36Å; L87-M90 PolarHBondContact O-N 3.21Å
91	Q	95.5	Very high	94.9	Very high	98 Å²	98	45.6 Å²	45.6	46%	0.458	22%	0.221	S	C	.	.			trans	48.3	56.4	-169.8	-64.2	-68.1	-38.8	0	0	112.3	L87 Q88 S93	L87-Q91 PolarHBondContact O-N 2.94Å; Q88-Q91 WeakPolarHBondContact O-CG 3.49Å; Q88-Q91 PolarHBondContact O-NE2 2.82Å; Q91-S93 PolarHBondContact O-N 3.08Å
92	P	95.8	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.			trans	-71.2	105.3	-174.5	30.2	-33.2	0	0	0	110	M55 L87 F96 L156 F158 Y164	M55-P92 HydrophobicContact CE-CB 3.8Å; M55-P92 HydrophobicContact CE-CG 4.08Å; L87-P92 HydrophobicContact CD2-CG 3.86Å; P92-F96 HydrophobicContact CB-CD1 3.53Å; P92-F96 HydrophobicContact CB-CE1 3.77Å; P92-L156 HydrophobicContact CG-CD1 4.27Å; P92-L156 HydrophobicContact CG-CD2 4.33Å; P92-F158 VanDerWaalsContact O-CE1 3.25Å; P92-F158 WeakPolarHBondContact O-CE1 3.46Å; P92-Y164 HydrophobicContact CG-CD2 3.95Å; P92-Y164 HydrophobicContact CG-CE2 4.39Å; P92-Y164 HydrophobicContact CG-CG 4.41Å
93	S	97.3	Very high	95.4	Very high	24 Å²	24	53.9 Å²	53.9	17%	0.168	26%	0.259	C	S	.	.			trans	-70.8	163.1	173.6	67	0	0	0	0	112.1	Q91 Q95 F96 V97 G162	Q91-S93 PolarHBondContact O-N 3.08Å; S93-Q95 VanDerWaalsContact C-N 3.28Å; S93-Q95 PolarHBondContact O-N 3.01Å; S93-F96 WeakPolarHBondContact O-CA 3.37Å; S93-F96 WeakPolarHBondContact O-CB 3.44Å; S93-F96 PolarHBondContact O-N 3.36Å; S93-F96 PolarHBondContact OG-N 3.25Å; S93-F96 VanDerWaalsContact OG-N 3.14Å; S93-V97 PolarHBondContact O-N 3.31Å; S93-G162 CarbonylContact C-O 3.59Å; S93-G162 WeakPolarHBondContact CA-O 3.29Å; S93-G162 WeakPolarHBondContact CB-O 3.38Å
94	L	97.6	Very high	95.4	Very high	63 Å²	63	55.3 Å²	55.3	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-42.5	176.4	-176.7	60.7	0	0	0	111.1	F96 V97 D98 F158 G162	L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.34Å; L94-V97 WeakPolarHBondContact O-CB 3.35Å; L94-V97 PolarHBondContact O-N 2.84Å; L94-V97 VanDerWaalsContact O-N 3.08Å; L94-D98 PolarHBondContact O-N 2.83Å; L94-F158 HydrophobicContact CB-CD1 3.92Å; L94-F158 HydrophobicContact CB-CD2 4.41Å; L94-F158 HydrophobicContact CB-CE1 4.04Å; L94-F158 HydrophobicContact CB-CG 4.11Å; L94-F158 HydrophobicContact CB-CZ 4.36Å; L94-F158 HydrophobicContact CD1-CD2 4.23Å; L94-F158 HydrophobicContact CD1-CE2 3.92Å; L94-F158 HydrophobicContact CD1-CZ 4.15Å; L94-G162 PolarHBondContact N-O 3.17Å
95	Q	97.6	Very high	95.3	Very high	131 Å²	131	57.2 Å²	57.2	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-60.1	-37.5	173.9	-175.5	-174.1	72.5	0	0	112.1	S93 R99	S93-Q95 VanDerWaalsContact C-N 3.28Å; S93-Q95 PolarHBondContact O-N 3.01Å; Q95-R99 WeakPolarHBondContact O-CB 3.44Å; Q95-R99 VanDerWaalsContact O-CG 3.31Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.01Å
96	F	97	Very high	95.3	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-48.1	172.6	161.2	-92.5	0	0	0	111	M55 F58 L59 P92 S93 L94 D98 R99 F100	M55-F96 HydrophobicContact CB-CE1 4.39Å; M55-F96 HydrophobicContact CB-CZ 4.12Å; M55-F96 HydrophobicContact CE-CE1 3.82Å; M55-F96 HydrophobicContact CG-CE1 4.3Å; M55-F96 HydrophobicContact CG-CZ 4.34Å; F58-F96 HydrophobicContact CB-CE2 4.34Å; F58-F96 HydrophobicContact CD1-CD2 4.23Å; F58-F96 AromaticContact CD1-CE2 3.6Å; F58-F96 HydrophobicContact CD1-CE2 3.6Å; F58-F96 HydrophobicContact CD1-CZ 4.45Å; F58-F96 HydrophobicContact CE1-CE2 4.37Å; F58-F96 HydrophobicContact CG-CE2 4.38Å; L59-F96 HydrophobicContact CD1-CE1 4.41Å; L59-F96 HydrophobicContact CD1-CE2 4.04Å; L59-F96 HydrophobicContact CD1-CZ 3.95Å; L59-F96 HydrophobicContact CD2-CD2 3.33Å; L59-F96 HydrophobicContact CD2-CE2 3.28Å; L59-F96 HydrophobicContact CD2-CG 4.11Å; L59-F96 HydrophobicContact CD2-CZ 4.04Å; L59-F96 HydrophobicContact CG-CD2 3.94Å; L59-F96 HydrophobicContact CG-CE2 3.31Å; L59-F96 HydrophobicContact CG-CZ 3.67Å; P92-F96 HydrophobicContact CB-CD1 3.53Å; P92-F96 HydrophobicContact CB-CE1 3.77Å; S93-F96 WeakPolarHBondContact O-CA 3.37Å; S93-F96 WeakPolarHBondContact O-CB 3.44Å; S93-F96 PolarHBondContact O-N 3.36Å; S93-F96 PolarHBondContact OG-N 3.25Å; S93-F96 VanDerWaalsContact OG-N 3.14Å; L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.34Å; F96-D98 VanDerWaalsContact C-N 3.32Å; F96-D98 PolarHBondContact O-N 3.48Å; F96-R99 PolarHBondContact O-N 3.22Å; F96-F100 HydrophobicContact CE1-CB 4.43Å; F96-F100 HydrophobicContact CE2-CB 4.46Å; F96-F100 HydrophobicContact CZ-CB 4.22Å; F96-F100 HydrophobicContact CZ-CD2 4.18Å; F96-F100 HydrophobicContact CZ-CG 4.45Å; F96-F100 WeakPolarHBondContact O-CB 3.23Å; F96-F100 PolarHBondContact O-N 3.04Å
97	V	97	Very high	95.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-46.7	179.1	173.2	0	0	0	0	110.5	S93 L94 R99 F100 L101 H135 F136 L156 F158	S93-V97 PolarHBondContact O-N 3.31Å; L94-V97 WeakPolarHBondContact O-CB 3.35Å; L94-V97 PolarHBondContact O-N 2.84Å; L94-V97 VanDerWaalsContact O-N 3.08Å; V97-R99 PolarHBondContact O-N 3.39Å; V97-F100 PolarHBondContact O-N 3.24Å; V97-L101 HydrophobicContact CG1-CD1 3.84Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.31Å; V97-L101 PolarHBondContact O-N 2.84Å; V97-H135 HydrophobicContact CG1-CB 3.88Å; V97-F136 HydrophobicContact CG1-CE1 4.44Å; V97-F136 HydrophobicContact CG1-CZ 4.17Å; V97-F136 HydrophobicContact CG2-CZ 4.48Å; V97-L156 HydrophobicContact CG2-CD1 3.93Å; V97-F158 HydrophobicContact CG2-CE1 4.48Å; V97-F158 HydrophobicContact CG2-CZ 4.07Å
98	D	96.9	Very high	95.6	Very high	93 Å²	93	60.7 Å²	60.7	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-45.2	177.6	-69.1	-23.4	0	0	0	112.3	L94 F96 L101 K102	L94-D98 PolarHBondContact O-N 2.83Å; F96-D98 VanDerWaalsContact C-N 3.32Å; F96-D98 PolarHBondContact O-N 3.48Å; D98-L101 PolarHBondContact O-N 3.32Å; D98-K102 WeakPolarHBondContact O-CB 3.46Å; D98-K102 PolarHBondContact O-N 3.25Å
99	R	97.5	Very high	95.8	Very high	129 Å²	129	56 Å²	56	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-43.7	176.7	-73.4	-171.9	-53.9	177.5	5.5	111.5	Q95 F96 V97 K102 N103	Q95-R99 WeakPolarHBondContact O-CB 3.44Å; Q95-R99 VanDerWaalsContact O-CG 3.31Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.01Å; F96-R99 PolarHBondContact O-N 3.22Å; V97-R99 PolarHBondContact O-N 3.39Å; R99-K102 PolarHBondContact O-N 2.88Å; R99-N103 PolarHBondContact O-N 3Å; R99-N103 VanDerWaalsContact O-N 3.15Å; R99-N103 PolarHBondContact O-ND2 2.74Å
100	F	96.5	Very high	96.1	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-51.3	177.8	177.9	-83.7	0	0	0	110.2	I51 Q54 M55 F58 F96 V97 K102 N103 T104 F136	I51-F100 HydrophobicContact CD1-CE1 3.73Å; I51-F100 HydrophobicContact CD1-CZ 3.88Å; Q54-F100 HydrophobicContact CB-CE2 4.08Å; Q54-F100 HydrophobicContact CB-CZ 3.78Å; Q54-F100 WeakPolarHBondContact O-CE2 3.3Å; M55-F100 HydrophobicContact CG-CD2 4.44Å; M55-F100 HydrophobicContact CG-CE1 4.46Å; M55-F100 HydrophobicContact CG-CE2 4.19Å; M55-F100 HydrophobicContact CG-CZ 4.16Å; F58-F100 HydrophobicContact CB-CD2 3.6Å; F58-F100 HydrophobicContact CB-CE2 3.9Å; F58-F100 HydrophobicContact CD1-CB 4.48Å; F58-F100 HydrophobicContact CD1-CD2 4.15Å; F58-F100 AromaticContact CD2-CD2 3.87Å; F58-F100 HydrophobicContact CD2-CD2 3.87Å; F58-F100 HydrophobicContact CD2-CE2 4.39Å; F58-F100 HydrophobicContact CE1-CB 4.49Å; F58-F100 AromaticContact CG-CD2 3.61Å; F58-F100 HydrophobicContact CG-CD2 3.61Å; F58-F100 HydrophobicContact CG-CE2 4.28Å; F96-F100 HydrophobicContact CE1-CB 4.43Å; F96-F100 HydrophobicContact CE2-CB 4.46Å; F96-F100 HydrophobicContact CZ-CB 4.22Å; F96-F100 HydrophobicContact CZ-CD2 4.18Å; F96-F100 HydrophobicContact CZ-CG 4.45Å; F96-F100 WeakPolarHBondContact O-CB 3.23Å; F96-F100 PolarHBondContact O-N 3.04Å; V97-F100 PolarHBondContact O-N 3.24Å; F100-K102 VanDerWaalsContact C-N 3.26Å; F100-K102 PolarHBondContact O-N 3.24Å; F100-N103 PolarHBondContact O-N 3.16Å; F100-T104 HydrophobicContact CE1-CG2 4.03Å; F100-T104 HydrophobicContact CE2-CG2 4.41Å; F100-T104 HydrophobicContact CZ-CG2 3.82Å; F100-T104 VanDerWaalsContact O-CB 3.32Å; F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.36Å; F100-T104 PolarHBondContact O-OG1 2.77Å; F100-T104 VanDerWaalsContact O-OG1 3.08Å; F100-F136 AromaticContact CD1-CD1 3.87Å; F100-F136 HydrophobicContact CD1-CD1 3.87Å; F100-F136 AromaticContact CD1-CE1 3.27Å; F100-F136 HydrophobicContact CD1-CE1 3.27Å; F100-F136 HydrophobicContact CD1-CZ 4.21Å; F100-F136 AromaticContact CE1-CD1 3.7Å; F100-F136 HydrophobicContact CE1-CD1 3.7Å; F100-F136 AromaticContact CE1-CE1 3.49Å; F100-F136 HydrophobicContact CE1-CE1 3.49Å; F100-F136 VanDerWaalsContact CE1-CE1 3.49Å; F100-F136 HydrophobicContact CE1-CZ 4.44Å; F100-F136 HydrophobicContact CG-CE1 4.24Å
101	L	95.2	Very high	96.3	Very high	31 Å²	31	60 Å²	60	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-37.9	179.5	-70.4	172.8	0	0	0	112.2	V97 D98 N103 H135 F136 R139	V97-L101 HydrophobicContact CG1-CD1 3.84Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.31Å; V97-L101 PolarHBondContact O-N 2.84Å; D98-L101 PolarHBondContact O-N 3.32Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 2.91Å; L101-H135 HydrophobicContact CD1-CB 4.29Å; L101-F136 HydrophobicContact CD2-CD1 3.32Å; L101-F136 HydrophobicContact CD2-CE1 3.66Å; L101-F136 HydrophobicContact CD2-CG 4.29Å; L101-F136 HydrophobicContact CG-CD1 4.18Å; L101-F136 HydrophobicContact CG-CE1 4.01Å; L101-R139 PolarHBondContact O-NH1 2.84Å
102	K	95.4	Very high	96.4	Very high	182 Å²	182	55.4 Å²	55.4	79%	0.791	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-32	177.6	-175	175.7	178.5	179.9	0	113.3	D98 R99 F100	D98-K102 WeakPolarHBondContact O-CB 3.46Å; D98-K102 PolarHBondContact O-N 3.25Å; R99-K102 PolarHBondContact O-N 2.88Å; F100-K102 VanDerWaalsContact C-N 3.26Å; F100-K102 PolarHBondContact O-N 3.24Å
103	N	94.9	Very high	96.6	Very high	110 Å²	110	61.4 Å²	61.4	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-104.4	-9.1	-172.4	-68.7	-78.6	0	0	0	114.1	F58 R99 F100 L101	F58-N103 HydrophobicContact CE2-CB 3.78Å; F58-N103 HydrophobicContact CZ-CB 4Å; R99-N103 PolarHBondContact O-N 3Å; R99-N103 VanDerWaalsContact O-N 3.15Å; R99-N103 PolarHBondContact O-ND2 2.74Å; F100-N103 PolarHBondContact O-N 3.16Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 2.91Å
104	T	93.2	Very high	96.6	Very high	31 Å²	31	63.9 Å²	63.9	19%	0.19	34%	0.336	C	S	.	.			trans	-111.7	128.8	-178.6	-53.1	0	0	0	0	110.9	F100 R139	F100-T104 HydrophobicContact CE1-CG2 4.03Å; F100-T104 HydrophobicContact CE2-CG2 4.41Å; F100-T104 HydrophobicContact CZ-CG2 3.82Å; F100-T104 VanDerWaalsContact O-CB 3.32Å; F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.36Å; F100-T104 PolarHBondContact O-OG1 2.77Å; F100-T104 VanDerWaalsContact O-OG1 3.08Å; T104-R139 PolarHBondContact O-NH1 3.08Å
105	S	92	Very high	96.7	Very high	76 Å²	76	60.9 Å²	60.9	53%	0.531	32%	0.32	S	S	.	.			trans	-79	154.9	171	52.1	0	0	0	0	111.5	D107	S105-D107 PolarHBondContact OG-OD1 3.27Å
106	V	92.3	Very high	96.7	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.17	29%	0.292	C	S	.	.			trans	-86	114.9	166.9	175	0	0	0	0	107.7	L108 R139 V140	V106-L108 HydrophobicContact CG1-CD2 3.75Å; V106-L108 HydrophobicContact CG1-CG 4.01Å; V106-L108 PolarHBondContact O-N 3.13Å; V106-R139 HydrophobicContact CG2-CB 3.98Å; V106-V140 HydrophobicContact CG1-CB 4.45Å; V106-V140 HydrophobicContact CG1-CG2 3.74Å; V106-V140 HydrophobicContact CG2-CG2 4.32Å
107	D	95.9	Very high	96.8	Very high	81 Å²	81	62.5 Å²	62.5	43%	0.433	32%	0.321	S	S	.	.			trans	-94.9	90.5	178.7	-64.7	-14.2	0	0	0	109.7	C47 T48 S105	C47-D107 VanDerWaalsContact CA-O 3.32Å; C47-D107 WeakPolarHBondContact CA-O 3.48Å; T48-D107 PolarHBondContact N-O 2.84Å; T48-D107 WeakPolarHBondContact OG1-CB 2.9Å; T48-D107 PolarHBondContact OG1-O 2.8Å; S105-D107 PolarHBondContact OG-OD1 3.27Å
108	L	98.5	Very high	96.9	Very high	43 Å²	43	63.4 Å²	63.4	23%	0.225	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-71.3	137.5	178.6	-65.3	176.2	0	0	0	111.4	V46 V106 I112 V140 Q143 L144	V46-L108 HydrophobicContact CG1-CD2 4.1Å; V106-L108 HydrophobicContact CG1-CD2 3.75Å; V106-L108 HydrophobicContact CG1-CG 4.01Å; V106-L108 PolarHBondContact O-N 3.13Å; L108-I112 HydrophobicContact CB-CG2 3.9Å; L108-I112 HydrophobicContact CD2-CG2 4.35Å; L108-V140 HydrophobicContact CD2-CG1 4Å; L108-Q143 HydrophobicContact CD1-CB 4.31Å; L108-L144 HydrophobicContact CD1-CD2 3.78Å; L108-L144 HydrophobicContact CD1-CG 4.38Å; L108-L144 HydrophobicContact CD2-CD1 4Å; L108-L144 HydrophobicContact CD2-CD2 4.22Å; L108-L144 HydrophobicContact CD2-CG 4.25Å
109	T	98.7	Very high	97	Very high	8 Å²	8	59 Å²	59	5%	0.049	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.6	175.8	-66.6	0	0	0	0	111.4	T45 V46 T48 G111 I112 F217 N220 F237	T45-T109 VanDerWaalsContact O-CB 3.29Å; T45-T109 WeakPolarHBondContact O-CB 3.42Å; T45-T109 PolarHBondContact O-OG1 3.47Å; T45-T109 VanDerWaalsContact O-OG1 3.09Å; V46-T109 PolarHBondContact O-N 3.06Å; T48-T109 PolarHBondContact N-OG1 3.42Å; T109-G111 PolarHBondContact O-N 3.24Å; T109-I112 WeakPolarHBondContact O-CB 3.4Å; T109-I112 WeakPolarHBondContact O-CG2 3.29Å; T109-I112 PolarHBondContact O-N 2.88Å; T109-I112 VanDerWaalsContact O-N 3.1Å; T109-F217 HydrophobicContact CG2-CE1 4.09Å; T109-F217 HydrophobicContact CG2-CZ 3.69Å; T109-N220 PolarHBondContact OG1-ND2 3.38Å; T109-N220 PolarHBondContact OG1-OD1 2.99Å; T109-F237 HydrophobicContact CG2-CD2 3.8Å; T109-F237 HydrophobicContact CG2-CE2 3.6Å
110	S	98.5	Very high	97	Very high	104 Å²	104	55.9 Å²	55.9	73%	0.727	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	130.9	-176	-171.6	0	0	0	0	112.3
111	G	98.5	Very high	97	Very high	20 Å²	20	61.8 Å²	61.8	21%	0.206	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-17.7	-179.6	0	0	0	0	0	115.6	T109 K113 T114 L115	T109-G111 PolarHBondContact O-N 3.24Å; G111-K113 VanDerWaalsContact C-N 3.33Å; G111-K113 PolarHBondContact O-N 2.84Å; G111-T114 PolarHBondContact O-N 3.03Å; G111-T114 VanDerWaalsContact O-N 3.17Å; G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 2.95Å
112	I	98.8	Very high	97.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-39.2	-173.9	-168.4	50.5	0	0	0	113.2	F40 V46 L108 T109 T114 L115 I116 L144 F237	F40-I112 HydrophobicContact CD1-CD1 4.31Å; F40-I112 HydrophobicContact CE1-CD1 4.1Å; F40-I112 HydrophobicContact CZ-CD1 4.49Å; V46-I112 HydrophobicContact CB-CG1 4.33Å; V46-I112 HydrophobicContact CG1-CG1 4.07Å; V46-I112 HydrophobicContact CG2-CD1 4.11Å; V46-I112 HydrophobicContact CG2-CG1 4.03Å; L108-I112 HydrophobicContact CB-CG2 3.9Å; L108-I112 HydrophobicContact CD2-CG2 4.35Å; T109-I112 WeakPolarHBondContact O-CB 3.4Å; T109-I112 WeakPolarHBondContact O-CG2 3.29Å; T109-I112 PolarHBondContact O-N 2.88Å; T109-I112 VanDerWaalsContact O-N 3.1Å; I112-T114 PolarHBondContact O-N 3.13Å; I112-L115 HydrophobicContact CD1-CD2 4.19Å; I112-L115 PolarHBondContact O-N 3.38Å; I112-I116 HydrophobicContact CD1-CD1 3.96Å; I112-I116 HydrophobicContact CD1-CG1 4.01Å; I112-I116 HydrophobicContact CG1-CD1 3.96Å; I112-I116 HydrophobicContact CG1-CG1 4.39Å; I112-I116 PolarHBondContact O-N 3.48Å; I112-L144 HydrophobicContact CG2-CD2 4.15Å; I112-F237 HydrophobicContact CB-CD2 3.75Å; I112-F237 HydrophobicContact CB-CE2 3.71Å; I112-F237 HydrophobicContact CD1-CD1 4.36Å; I112-F237 HydrophobicContact CD1-CD2 4.15Å; I112-F237 HydrophobicContact CD1-CE1 4.02Å; I112-F237 HydrophobicContact CD1-CE2 3.78Å; I112-F237 HydrophobicContact CD1-CG 4.43Å; I112-F237 HydrophobicContact CD1-CZ 3.72Å; I112-F237 HydrophobicContact CG1-CD2 4.41Å; I112-F237 HydrophobicContact CG1-CE2 4.01Å; I112-F237 HydrophobicContact CG1-CZ 4.37Å
113	K	98.6	Very high	97.2	Very high	127 Å²	127	59.8 Å²	59.8	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-42.4	178.6	-170.7	170.6	-172	166.1	0	112	G111 R117 L144	G111-K113 VanDerWaalsContact C-N 3.33Å; G111-K113 PolarHBondContact O-N 2.84Å; K113-R117 WeakPolarHBondContact O-CB 3.09Å; K113-R117 PolarHBondContact O-N 2.67Å; K113-R117 VanDerWaalsContact O-N 3.12Å; K113-L144 HydrophobicContact CB-CD2 4.12Å; K113-L144 HydrophobicContact CG-CD2 4.38Å
114	T	98.6	Very high	97.4	Very high	76 Å²	76	55.2 Å²	55.2	47%	0.466	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-45.1	175.5	-58.6	0	0	0	0	110.5	G111 I112 R117 M118 I241	G111-T114 PolarHBondContact O-N 3.03Å; G111-T114 VanDerWaalsContact O-N 3.17Å; I112-T114 PolarHBondContact O-N 3.13Å; T114-R117 PolarHBondContact O-N 2.9Å; T114-M118 HydrophobicContact CG2-SD 4.15Å; T114-M118 WeakPolarHBondContact O-CG 3.43Å; T114-M118 PolarHBondContact O-N 3.49Å; T114-I241 HydrophobicContact CG2-CD1 3.95Å
115	L	98.8	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-51.7	179.3	171.5	56.1	0	0	0	111.9	W32 F40 G111 I112 R117 M118 L119 F237 L240 I241 L244	W32-L115 HydrophobicContact CH2-CD1 3.96Å; W32-L115 HydrophobicContact CH2-CD2 4.41Å; W32-L115 HydrophobicContact CZ2-CD1 3.54Å; F40-L115 HydrophobicContact CE1-CD2 4Å; F40-L115 HydrophobicContact CZ-CD2 3.96Å; F40-L115 HydrophobicContact CZ-CG 4.42Å; G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 2.95Å; I112-L115 HydrophobicContact CD1-CD2 4.19Å; I112-L115 PolarHBondContact O-N 3.38Å; L115-R117 VanDerWaalsContact C-N 3.31Å; L115-R117 PolarHBondContact O-N 3Å; L115-M118 WeakPolarHBondContact O-CB 3.34Å; L115-M118 PolarHBondContact O-N 3.03Å; L115-M118 VanDerWaalsContact O-N 3.09Å; L115-L119 HydrophobicContact CD1-CD1 4.15Å; L115-L119 HydrophobicContact CD1-CG 4.12Å; L115-L119 HydrophobicContact CG-CD1 4.26Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.08Å; L115-F237 HydrophobicContact CD2-CB 4.22Å; L115-F237 HydrophobicContact CD2-CD1 3.47Å; L115-F237 VanDerWaalsContact CD2-CD1 3.47Å; L115-F237 HydrophobicContact CD2-CE1 4.1Å; L115-F237 HydrophobicContact CD2-CG 4.04Å; L115-L240 HydrophobicContact CD1-CB 4.31Å; L115-L240 HydrophobicContact CD2-CB 4.19Å; L115-L240 HydrophobicContact CD2-CD1 3.94Å; L115-I241 HydrophobicContact CB-CD1 4.2Å; L115-I241 HydrophobicContact CB-CG1 3.98Å; L115-I241 HydrophobicContact CD1-CG1 4.36Å; L115-L244 HydrophobicContact CD1-CD1 3.9Å
116	I	98.7	Very high	98	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-40.3	179.8	-71.3	176.2	0	0	0	111.1	I112 M118 L119 H120 V126 L144 V146	I112-I116 HydrophobicContact CD1-CD1 3.96Å; I112-I116 HydrophobicContact CD1-CG1 4.01Å; I112-I116 HydrophobicContact CG1-CD1 3.96Å; I112-I116 HydrophobicContact CG1-CG1 4.39Å; I112-I116 PolarHBondContact O-N 3.48Å; I116-M118 VanDerWaalsContact C-N 3.32Å; I116-M118 PolarHBondContact O-N 2.71Å; I116-L119 PolarHBondContact O-N 3.15Å; I116-H120 VanDerWaalsContact CG2-CE1 3.42Å; I116-H120 WeakPolarHBondContact CG2-CE1 3.38Å; I116-H120 PolarHBondContact O-N 2.84Å; I116-V126 HydrophobicContact CD1-CG1 4.31Å; I116-V126 HydrophobicContact CG1-CG1 4.27Å; I116-V126 HydrophobicContact CG2-CG1 4.45Å; I116-V126 HydrophobicContact CG2-CG2 4.49Å; I116-L144 HydrophobicContact CD1-CB 3.86Å; I116-L144 HydrophobicContact CD1-CD1 3.62Å; I116-L144 HydrophobicContact CD1-CD2 4.13Å; I116-L144 HydrophobicContact CD1-CG 4.06Å; I116-L144 HydrophobicContact CG2-CB 4.49Å; I116-L144 VanDerWaalsContact CG2-O 3.29Å; I116-L144 WeakPolarHBondContact CG2-O 3.48Å; I116-V146 HydrophobicContact CD1-CG2 4.3Å; I116-V146 HydrophobicContact CG2-CG2 4.19Å
117	R	98.5	Very high	98.3	Very high	167 Å²	167	50 Å²	50	63%	0.63	27%	0.266	S	S	*	.	H	α-helix	trans	-57.5	-44	173.2	178.9	-179.9	172.4	172	1.2	112.1	K113 T114 L115 H120 Q121	K113-R117 WeakPolarHBondContact O-CB 3.09Å; K113-R117 PolarHBondContact O-N 2.67Å; K113-R117 VanDerWaalsContact O-N 3.12Å; T114-R117 PolarHBondContact O-N 2.9Å; L115-R117 VanDerWaalsContact C-N 3.31Å; L115-R117 PolarHBondContact O-N 3Å; R117-H120 PolarHBondContact O-N 2.84Å; R117-Q121 VanDerWaalsContact O-CG 3.29Å; R117-Q121 WeakPolarHBondContact O-CG 3.42Å; R117-Q121 PolarHBondContact O-N 2.89Å
118	M	98.4	Very high	98.4	Very high	19 Å²	19	46.2 Å²	46.2	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-38.2	177.7	-70.9	174.2	69.5	0	0	112.2	T114 L115 I116 Q121 R122 I241 L244 N245	T114-M118 HydrophobicContact CG2-SD 4.15Å; T114-M118 WeakPolarHBondContact O-CG 3.43Å; T114-M118 PolarHBondContact O-N 3.49Å; L115-M118 WeakPolarHBondContact O-CB 3.34Å; L115-M118 PolarHBondContact O-N 3.03Å; L115-M118 VanDerWaalsContact O-N 3.09Å; I116-M118 VanDerWaalsContact C-N 3.32Å; I116-M118 PolarHBondContact O-N 2.71Å; M118-Q121 PolarHBondContact O-N 3.38Å; M118-R122 WeakPolarHBondContact O-CG 3.2Å; M118-R122 PolarHBondContact O-N 2.95Å; M118-R122 VanDerWaalsContact O-N 3.13Å; M118-I241 HydrophobicContact CE-CG2 4.24Å; M118-I241 HydrophobicContact SD-CB 4.33Å; M118-I241 HydrophobicContact SD-CG1 4.13Å; M118-I241 HydrophobicContact SD-CG2 3.74Å; M118-L244 HydrophobicContact CB-CD1 4.07Å; M118-L244 HydrophobicContact CE-CB 3.67Å; M118-L244 HydrophobicContact CE-CD1 4.14Å; M118-N245 WeakPolarHBondContact CE-OD1 3.42Å
119	L	98.5	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-44.4	174	-68.2	174.1	0	0	0	111.4	W32 V38 F40 L115 I116 Q121 R122 S123 V124 V126 L244	W32-L119 HydrophobicContact CH2-CD1 4.18Å; W32-L119 HydrophobicContact CH2-CD2 4.1Å; W32-L119 HydrophobicContact CZ2-CD2 4.26Å; V38-L119 HydrophobicContact CB-CD1 4.35Å; V38-L119 HydrophobicContact CG2-CD1 4.27Å; V38-L119 HydrophobicContact CG2-CD2 4.25Å; F40-L119 HydrophobicContact CE2-CD1 3.77Å; F40-L119 HydrophobicContact CZ-CD1 3.79Å; L115-L119 HydrophobicContact CD1-CD1 4.15Å; L115-L119 HydrophobicContact CD1-CG 4.12Å; L115-L119 HydrophobicContact CG-CD1 4.26Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.08Å; I116-L119 PolarHBondContact O-N 3.15Å; L119-Q121 PolarHBondContact O-N 3.2Å; L119-R122 CarbonylContact O-C 3.58Å; L119-R122 WeakPolarHBondContact O-CA 3.48Å; L119-R122 WeakPolarHBondContact O-CB 3.48Å; L119-R122 PolarHBondContact O-N 3.12Å; L119-R122 VanDerWaalsContact O-N 3.11Å; L119-S123 PolarHBondContact O-N 2.98Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CD2-CB 4.26Å; L119-V124 HydrophobicContact CD2-CG1 4.24Å; L119-V124 HydrophobicContact CD2-CG2 4.3Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 PolarHBondContact O-N 2.84Å; L119-V126 HydrophobicContact CB-CG2 3.86Å; L119-V126 HydrophobicContact CD1-CG2 4.01Å; L119-L244 HydrophobicContact CD2-CD1 4.17Å
120	H	98.1	Very high	98.4	Very high	64 Å²	64	43.9 Å²	43.9	30%	0.296	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-42.5	174.6	-69.4	166.6	0	0	0	112.4	I116 R117 R122 S123 D145	I116-H120 VanDerWaalsContact CG2-CE1 3.42Å; I116-H120 WeakPolarHBondContact CG2-CE1 3.38Å; I116-H120 PolarHBondContact O-N 2.84Å; R117-H120 PolarHBondContact O-N 2.84Å; H120-R122 PolarHBondContact O-N 3.39Å; H120-S123 PolarHBondContact O-N 3.09Å; H120-D145 PolarHBondContact CE1-O 3.45Å; H120-D145 VanDerWaalsContact CE1-O 3.24Å
121	Q	97.6	Very high	98.2	Very high	128 Å²	128	39.7 Å²	39.7	60%	0.598	21%	0.206	S	C	*	.	H	α-helix	trans	-60.5	-27.6	175.4	-74.7	171.9	-26	0	0	112.6	R117 M118 L119 S123	R117-Q121 VanDerWaalsContact O-CG 3.29Å; R117-Q121 WeakPolarHBondContact O-CG 3.42Å; R117-Q121 PolarHBondContact O-N 2.89Å; M118-Q121 PolarHBondContact O-N 3.38Å; L119-Q121 PolarHBondContact O-N 3.2Å; Q121-S123 VanDerWaalsContact C-N 3.32Å
122	R	97.4	Very high	98	Very high	58 Å²	58	38.8 Å²	38.8	22%	0.219	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.1	175.4	-69.2	168.6	175	-109.8	-3	113.7	S33 M118 L119 H120 V124 L244 S247 D248	S33-R122 PolarHBondContact O-NH1 3.41Å; M118-R122 WeakPolarHBondContact O-CG 3.2Å; M118-R122 PolarHBondContact O-N 2.95Å; M118-R122 VanDerWaalsContact O-N 3.13Å; L119-R122 CarbonylContact O-C 3.58Å; L119-R122 WeakPolarHBondContact O-CA 3.48Å; L119-R122 WeakPolarHBondContact O-CB 3.48Å; L119-R122 PolarHBondContact O-N 3.12Å; L119-R122 VanDerWaalsContact O-N 3.11Å; H120-R122 PolarHBondContact O-N 3.39Å; R122-V124 HydrophobicContact CB-CG2 3.83Å; R122-V124 PolarHBondContact O-N 2.89Å; R122-L244 PolarHBondContact NH2-O 2.97Å; R122-S247 PolarHBondContact NH1-OG 3.35Å; R122-S247 PolarHBondContact NH2-OG 3.38Å; R122-D248 IonicContact CZ-OD1 3.4Å; R122-D248 IonicContact CZ-OD2 3.73Å; R122-D248 IonicContact NH1-OD1 3.87Å; R122-D248 IonicContact NH2-OD1 2.72Å; R122-D248 PolarHBondContact NH2-OD1 3.39Å; R122-D248 IonicContact NH2-OD2 3.29Å; R122-D248 PolarHBondContact NH2-OD2 3.38Å
123	S	97.5	Very high	98	Very high	114 Å²	114	38.8 Å²	38.8	80%	0.797	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	27.5	-175.6	-53.5	0	0	0	0	114.1	L119 H120 Q121	L119-S123 PolarHBondContact O-N 2.98Å; H120-S123 PolarHBondContact O-N 3.09Å; Q121-S123 VanDerWaalsContact C-N 3.32Å
124	V	98.6	Very high	97.9	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.079	18%	0.183	C	C	.	.			trans	-82.6	131.1	176.1	-176.7	0	0	0	0	109.2	A35 V38 L119 R122 V126	A35-V124 HydrophobicContact CB-CG1 4.2Å; A35-V124 WeakPolarHBondContact O-CG2 3.47Å; V38-V124 HydrophobicContact CG2-CG1 3.88Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CD2-CB 4.26Å; L119-V124 HydrophobicContact CD2-CG1 4.24Å; L119-V124 HydrophobicContact CD2-CG2 4.3Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 PolarHBondContact O-N 2.84Å; R122-V124 HydrophobicContact CB-CG2 3.83Å; R122-V124 PolarHBondContact O-N 2.89Å; V124-V126 PolarHBondContact O-N 3.27Å
125	A	98.7	Very high	97.7	Very high	22 Å²	22	34 Å²	34	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.3	176.4	0	0	0	0	0	110.8	D36 A37 V38 Y127 Y192	D36-A125 PolarHBondContact O-N 2.93Å; D36-A125 VanDerWaalsContact O-N 3.08Å; A37-A125 CarbonylContact C-O 3.37Å; A37-A125 WeakPolarHBondContact CA-O 2.95Å; A37-A125 HydrophobicContact CB-CB 4.09Å; V38-A125 PolarHBondContact N-O 3.39Å; A125-Y127 HydrophobicContact CB-CE2 3.7Å; A125-Y192 HydrophobicContact CB-CE1 4.34Å; A125-Y192 VanDerWaalsContact CB-OH 3.29Å; A125-Y192 WeakPolarHBondContact CB-OH 3.45Å
126	V	98.9	Very high	97.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.2	179.9	179.4	0	0	0	0	110	V38 F40 I116 L119 V124 V146 N150	V38-V126 WeakPolarHBondContact O-CA 3.35Å; F40-V126 HydrophobicContact CD2-CG1 3.96Å; F40-V126 HydrophobicContact CE2-CG1 4.03Å; I116-V126 HydrophobicContact CD1-CG1 4.31Å; I116-V126 HydrophobicContact CG1-CG1 4.27Å; I116-V126 HydrophobicContact CG2-CG1 4.45Å; I116-V126 HydrophobicContact CG2-CG2 4.49Å; L119-V126 HydrophobicContact CB-CG2 3.86Å; L119-V126 HydrophobicContact CD1-CG2 4.01Å; V124-V126 PolarHBondContact O-N 3.27Å; V126-V146 HydrophobicContact CB-CG2 4.42Å; V126-V146 HydrophobicContact CG1-CG2 3.87Å; V126-N150 VanDerWaalsContact O-CB 3.31Å; V126-N150 WeakPolarHBondContact O-CB 3.32Å; V126-N150 PolarHBondContact O-ND2 2.96Å
127	Y	98.9	Very high	97.5	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.4	178.2	-62.6	-90.9	0	0	0	111.4	A37 V38 F40 A125 N150 Y152 L186 Y190 Y192	A37-Y127 HydrophobicContact CB-CD2 4.44Å; A37-Y127 HydrophobicContact CB-CE2 4.07Å; V38-Y127 PolarHBondContact O-N 2.93Å; F40-Y127 PolarHBondContact N-O 2.69Å; A125-Y127 HydrophobicContact CB-CE2 3.7Å; Y127-N150 VanDerWaalsContact CA-O 3.3Å; Y127-N150 WeakPolarHBondContact CA-O 3.5Å; Y127-N150 HydrophobicContact CD1-CB 3.49Å; Y127-N150 VanDerWaalsContact CD1-CB 3.49Å; Y127-N150 HydrophobicContact CE1-CB 3.78Å; Y127-N150 VanDerWaalsContact CE1-CG 3.44Å; Y127-N150 HydrophobicContact CG-CB 4.22Å; Y127-Y152 HydrophobicContact CD1-CD2 4.43Å; Y127-Y152 AromaticContact CD1-CE2 3.82Å; Y127-Y152 HydrophobicContact CD1-CE2 3.82Å; Y127-Y152 HydrophobicContact CE1-CE2 4.27Å; Y127-L186 HydrophobicContact CD1-CD1 3.79Å; Y127-L186 HydrophobicContact CD1-CD2 4Å; Y127-L186 HydrophobicContact CD2-CD1 3.9Å; Y127-L186 HydrophobicContact CE1-CD1 3.96Å; Y127-L186 HydrophobicContact CE1-CD2 3.39Å; Y127-L186 HydrophobicContact CE1-CG 4.33Å; Y127-L186 HydrophobicContact CE2-CD1 4.06Å; Y127-L186 HydrophobicContact CE2-CD2 4.34Å; Y127-L186 HydrophobicContact CG-CD1 3.77Å; Y127-Y190 WeakPolarHBondContact OH-CE2 3.24Å; Y127-Y192 AromaticContact CE2-CE2 3.91Å; Y127-Y192 HydrophobicContact CE2-CE2 3.91Å; Y127-Y192 WeakPolarHBondContact OH-CE2 3.25Å; Y127-Y192 PolarHBondContact OH-OH 3.03Å
128	L	98.8	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	172.8	-59.3	-177.5	0	0	0	109	F40 V42 V46 V137 V140 A141 V146 N150 V151 Y152	F40-L128 HydrophobicContact CB-CD2 4.14Å; V42-L128 HydrophobicContact CG2-CB 3.93Å; V46-L128 HydrophobicContact CG2-CD2 4.06Å; L128-V137 HydrophobicContact CB-CG2 4.09Å; L128-V137 HydrophobicContact CD1-CG2 3.91Å; L128-V140 HydrophobicContact CD1-CB 4.48Å; L128-V140 HydrophobicContact CD1-CG1 4.12Å; L128-A141 HydrophobicContact CD1-CB 3.96Å; L128-V146 HydrophobicContact CG-CG1 4.31Å; L128-N150 PolarHBondContact N-O 2.98Å; L128-V151 HydrophobicContact CB-CG2 4.43Å; L128-V151 HydrophobicContact CD1-CG2 4.46Å; L128-Y152 PolarHBondContact O-N 2.84Å
129	L	98.6	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116	-176.9	-80.9	60	0	0	0	108.6	C39 F40 D41 Y152 K179 V182 M197	C39-L129 HydrophobicContact CB-CD1 3.95Å; C39-L129 HydrophobicContact CB-CD2 3.96Å; F40-L129 PolarHBondContact O-N 2.95Å; D41-L129 WeakPolarHBondContact CA-O 3.14Å; L129-Y152 WeakPolarHBondContact CA-O 3.44Å; L129-Y152 HydrophobicContact CD1-CD2 4.04Å; L129-K179 HydrophobicContact CB-CG 4.25Å; L129-K179 HydrophobicContact CD2-CB 4.23Å; L129-K179 WeakPolarHBondContact O-CE 3.32Å; L129-V182 HydrophobicContact CD1-CG1 4.09Å; L129-V182 HydrophobicContact CD2-CB 3.87Å; L129-V182 HydrophobicContact CD2-CG1 3.73Å; L129-V182 HydrophobicContact CG-CB 4.28Å; L129-V182 HydrophobicContact CG-CG1 3.85Å; L129-M197 HydrophobicContact CD2-SD 4.37Å
130	T	97.4	Very high	97.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.9	-175.7	172.3	0	0	0	0	112.9	V42 D43 G132 V137 Y152 A153 T173	V42-T130 HydrophobicContact CB-CG2 4.12Å; V42-T130 HydrophobicContact CG2-CG2 3.77Å; D43-T130 PolarHBondContact OD2-OG1 2.79Å; T130-G132 PolarHBondContact OG1-N 3.27Å; T130-V137 HydrophobicContact CG2-CB 4.12Å; T130-V137 HydrophobicContact CG2-CG1 4.29Å; T130-V137 HydrophobicContact CG2-CG2 4.1Å; T130-Y152 PolarHBondContact N-O 3.38Å; T130-A153 HydrophobicContact CG2-CB 3.64Å; T130-A153 WeakPolarHBondContact O-CA 3.44Å; T130-T173 WeakPolarHBondContact O-CB 3.09Å; T130-T173 WeakPolarHBondContact O-CG2 3.29Å
131	G	94.3	Very high	97.4	Very high	16 Å²	16	29 Å²	29	17%	0.165	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-4.2	166.8	0	0	0	0	0	113.9	N154	G131-N154 PolarHBondContact O-ND2 3.05Å
132	G	95.3	Very high	97.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-164.5	170.8	0	0	0	0	0	113	T130 N154	T130-G132 PolarHBondContact OG1-N 3.27Å; G132-N154 WeakPolarHBondContact O-CB 3.42Å; G132-N154 PolarHBondContact O-N 2.89Å
133	F	97.2	Very high	97.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.3	-170.8	-42.8	-82.1	0	0	0	114.6	I52 M55 L83 L87 H135 F136 V137 N154 L156	I52-F133 HydrophobicContact CG1-CE2 3.99Å; I52-F133 HydrophobicContact CG1-CZ 4.39Å; M55-F133 HydrophobicContact CE-CD2 4.39Å; M55-F133 HydrophobicContact CE-CE2 4.18Å; M55-F133 HydrophobicContact SD-CD2 3.82Å; M55-F133 HydrophobicContact SD-CE2 3.75Å; L83-F133 HydrophobicContact CD1-CE1 4.28Å; L83-F133 HydrophobicContact CD1-CZ 3.88Å; L87-F133 HydrophobicContact CD1-CE1 3.89Å; L87-F133 HydrophobicContact CD1-CZ 3.91Å; L87-F133 HydrophobicContact CD2-CE1 4.25Å; L87-F133 HydrophobicContact CD2-CE2 4.37Å; L87-F133 HydrophobicContact CD2-CZ 3.66Å; L87-F133 HydrophobicContact CG-CZ 4.16Å; F133-H135 VanDerWaalsContact C-N 3.27Å; F133-H135 PolarHBondContact O-N 3.41Å; F133-F136 HydrophobicContact CB-CD2 3.68Å; F133-F136 HydrophobicContact CB-CE2 3.81Å; F133-F136 AromaticContact CD2-CD2 3.95Å; F133-F136 HydrophobicContact CD2-CD2 3.95Å; F133-F136 AromaticContact CD2-CE2 3.66Å; F133-F136 HydrophobicContact CD2-CE2 3.66Å; F133-F136 HydrophobicContact CG-CD2 4.31Å; F133-F136 HydrophobicContact CG-CE2 4.14Å; F133-F136 PolarHBondContact O-N 2.9Å; F133-V137 PolarHBondContact O-N 2.72Å; F133-V137 VanDerWaalsContact O-N 3.16Å; F133-N154 CarbonylContact C-O 3.59Å; F133-N154 VanDerWaalsContact CA-O 3.24Å; F133-N154 WeakPolarHBondContact CA-O 3.33Å; F133-N154 HydrophobicContact CD1-CB 3.95Å; F133-N154 HydrophobicContact CE1-CB 4.26Å; F133-L156 HydrophobicContact CB-CG 4.39Å; F133-L156 HydrophobicContact CD1-CD1 4.4Å; F133-L156 HydrophobicContact CD1-CD2 3.64Å; F133-L156 HydrophobicContact CD1-CG 3.68Å; F133-L156 HydrophobicContact CE1-CD2 3.52Å; F133-L156 HydrophobicContact CE1-CG 4.12Å; F133-L156 HydrophobicContact CG-CD1 4.25Å; F133-L156 HydrophobicContact CG-CD2 4.26Å; F133-L156 HydrophobicContact CG-CG 3.99Å; F133-L156 HydrophobicContact CZ-CD2 4.05Å
134	T	97.1	Very high	97.4	Very high	41 Å²	41	24.4 Å²	24.4	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-50.6	-42	-177.6	-56.8	0	0	0	0	112.9	F136 N138 N154	T134-F136 PolarHBondContact O-N 2.62Å; T134-F136 VanDerWaalsContact O-N 3.15Å; T134-N138 WeakPolarHBondContact CG2-ND2 3.24Å; T134-N138 WeakPolarHBondContact O-CB 3.4Å; T134-N138 PolarHBondContact O-N 2.99Å; T134-N138 PolarHBondContact O-OD1 3.18Å; T134-N154 PolarHBondContact N-O 2.96Å; T134-N154 PolarHBondContact OG1-O 2.82Å
135	H	94.8	Very high	97.4	Very high	61 Å²	61	29.7 Å²	29.7	28%	0.282	15%	0.152	S	C	.	.	H	α-helix	trans	-55.6	-32.2	178.2	-69.5	-77.7	0	0	0	113.4	V97 L101 F133 F158	V97-H135 HydrophobicContact CG1-CB 3.88Å; L101-H135 HydrophobicContact CD1-CB 4.29Å; F133-H135 VanDerWaalsContact C-N 3.27Å; F133-H135 PolarHBondContact O-N 3.41Å; H135-F158 AromaticContact NE2-CE2 3.8Å
136	F	95.4	Very high	97.4	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-91.4	-50.4	-178.5	-50.4	-73.7	0	0	0	111.4	I51 M55 V97 F100 L101 F133 T134 N138 R139	I51-F136 HydrophobicContact CD1-CB 3.92Å; I51-F136 HydrophobicContact CD1-CD1 3.68Å; I51-F136 HydrophobicContact CD1-CD2 4.15Å; I51-F136 HydrophobicContact CD1-CE1 4.32Å; I51-F136 HydrophobicContact CD1-CG 3.62Å; I51-F136 HydrophobicContact CG1-CB 3.91Å; I51-F136 HydrophobicContact CG1-CD1 4.1Å; I51-F136 HydrophobicContact CG1-CD2 3.61Å; I51-F136 HydrophobicContact CG1-CE2 4.2Å; I51-F136 HydrophobicContact CG1-CG 3.58Å; M55-F136 HydrophobicContact CE-CE2 4.18Å; M55-F136 HydrophobicContact CE-CZ 4.08Å; M55-F136 HydrophobicContact CG-CZ 4.1Å; M55-F136 HydrophobicContact SD-CD2 4.43Å; M55-F136 HydrophobicContact SD-CE2 3.51Å; M55-F136 VanDerWaalsContact SD-CE2 3.51Å; M55-F136 HydrophobicContact SD-CZ 3.6Å; V97-F136 HydrophobicContact CG1-CE1 4.44Å; V97-F136 HydrophobicContact CG1-CZ 4.17Å; V97-F136 HydrophobicContact CG2-CZ 4.48Å; F100-F136 AromaticContact CD1-CD1 3.87Å; F100-F136 HydrophobicContact CD1-CD1 3.87Å; F100-F136 AromaticContact CD1-CE1 3.27Å; F100-F136 HydrophobicContact CD1-CE1 3.27Å; F100-F136 HydrophobicContact CD1-CZ 4.21Å; F100-F136 AromaticContact CE1-CD1 3.7Å; F100-F136 HydrophobicContact CE1-CD1 3.7Å; F100-F136 AromaticContact CE1-CE1 3.49Å; F100-F136 HydrophobicContact CE1-CE1 3.49Å; F100-F136 VanDerWaalsContact CE1-CE1 3.49Å; F100-F136 HydrophobicContact CE1-CZ 4.44Å; F100-F136 HydrophobicContact CG-CE1 4.24Å; L101-F136 HydrophobicContact CD2-CD1 3.32Å; L101-F136 HydrophobicContact CD2-CE1 3.66Å; L101-F136 HydrophobicContact CD2-CG 4.29Å; L101-F136 HydrophobicContact CG-CD1 4.18Å; L101-F136 HydrophobicContact CG-CE1 4.01Å; F133-F136 HydrophobicContact CB-CD2 3.68Å; F133-F136 HydrophobicContact CB-CE2 3.81Å; F133-F136 AromaticContact CD2-CD2 3.95Å; F133-F136 HydrophobicContact CD2-CD2 3.95Å; F133-F136 AromaticContact CD2-CE2 3.66Å; F133-F136 HydrophobicContact CD2-CE2 3.66Å; F133-F136 HydrophobicContact CG-CD2 4.31Å; F133-F136 HydrophobicContact CG-CE2 4.14Å; F133-F136 PolarHBondContact O-N 2.9Å; T134-F136 PolarHBondContact O-N 2.62Å; T134-F136 VanDerWaalsContact O-N 3.15Å; F136-N138 PolarHBondContact O-N 3.06Å; F136-R139 PolarHBondContact O-N 2.76Å; F136-R139 VanDerWaalsContact O-N 3.08Å
137	V	97.6	Very high	97.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-25.2	-176.8	62.4	0	0	0	0	112.6	V42 L128 T130 F133 R139 V140 A141 V151 A153	V42-V137 HydrophobicContact CG1-CG2 4.44Å; V42-V137 HydrophobicContact CG2-CG2 3.81Å; L128-V137 HydrophobicContact CB-CG2 4.09Å; L128-V137 HydrophobicContact CD1-CG2 3.91Å; T130-V137 HydrophobicContact CG2-CB 4.12Å; T130-V137 HydrophobicContact CG2-CG1 4.29Å; T130-V137 HydrophobicContact CG2-CG2 4.1Å; F133-V137 PolarHBondContact O-N 2.72Å; F133-V137 VanDerWaalsContact O-N 3.16Å; V137-R139 VanDerWaalsContact C-N 3.28Å; V137-R139 PolarHBondContact O-N 3.2Å; V137-V140 WeakPolarHBondContact O-CA 3.38Å; V137-V140 VanDerWaalsContact O-CB 3.31Å; V137-V140 WeakPolarHBondContact O-CB 3.26Å; V137-V140 PolarHBondContact O-N 3.17Å; V137-V140 VanDerWaalsContact O-N 3.08Å; V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 2.99Å; V137-V151 HydrophobicContact CB-CG1 4.17Å; V137-V151 HydrophobicContact CG1-CG1 3.37Å; V137-V151 HydrophobicContact CG2-CG1 3.71Å; V137-A153 HydrophobicContact CG1-CB 3.6Å
138	N	97.4	Very high	97.4	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.214	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-36.4	174.2	-73.7	0.4	0	0	0	112.2	T134 F136 V140 A141 E142 L148	T134-N138 WeakPolarHBondContact CG2-ND2 3.24Å; T134-N138 WeakPolarHBondContact O-CB 3.4Å; T134-N138 PolarHBondContact O-N 2.99Å; T134-N138 PolarHBondContact O-OD1 3.18Å; F136-N138 PolarHBondContact O-N 3.06Å; N138-V140 VanDerWaalsContact C-N 3.32Å; N138-V140 PolarHBondContact O-N 3.46Å; N138-A141 PolarHBondContact O-N 3.42Å; N138-E142 WeakPolarHBondContact O-CB 3.38Å; N138-E142 VanDerWaalsContact O-CG 3.3Å; N138-E142 WeakPolarHBondContact O-CG 3.15Å; N138-E142 PolarHBondContact O-N 3.34Å; N138-L148 HydrophobicContact CB-CD2 3.91Å
139	R	97	Very high	97.3	Very high	81 Å²	81	43.3 Å²	43.3	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-68.1	-33.7	174.2	-65.5	-176.3	69.4	-161.1	5.6	112.2	L101 T104 V106 F136 V137 Q143	L101-R139 PolarHBondContact O-NH1 2.84Å; T104-R139 PolarHBondContact O-NH1 3.08Å; V106-R139 HydrophobicContact CG2-CB 3.98Å; F136-R139 PolarHBondContact O-N 2.76Å; F136-R139 VanDerWaalsContact O-N 3.08Å; V137-R139 VanDerWaalsContact C-N 3.28Å; V137-R139 PolarHBondContact O-N 3.2Å; R139-Q143 WeakPolarHBondContact O-CG 3.06Å; R139-Q143 PolarHBondContact O-N 2.91Å
140	V	98.1	Very high	97.3	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-48.9	173.6	-177.8	0	0	0	0	109.5	V42 V46 V106 L108 L128 V137 N138 E142 Q143 L144	V42-V140 HydrophobicContact CG1-CG2 4.4Å; V46-V140 HydrophobicContact CG1-CG1 3.54Å; V106-V140 HydrophobicContact CG1-CB 4.45Å; V106-V140 HydrophobicContact CG1-CG2 3.74Å; V106-V140 HydrophobicContact CG2-CG2 4.32Å; L108-V140 HydrophobicContact CD2-CG1 4Å; L128-V140 HydrophobicContact CD1-CB 4.48Å; L128-V140 HydrophobicContact CD1-CG1 4.12Å; V137-V140 WeakPolarHBondContact O-CA 3.38Å; V137-V140 VanDerWaalsContact O-CB 3.31Å; V137-V140 WeakPolarHBondContact O-CB 3.26Å; V137-V140 PolarHBondContact O-N 3.17Å; V137-V140 VanDerWaalsContact O-N 3.08Å; N138-V140 VanDerWaalsContact C-N 3.32Å; N138-V140 PolarHBondContact O-N 3.46Å; V140-E142 PolarHBondContact O-N 3.08Å; V140-Q143 PolarHBondContact O-N 3.3Å; V140-L144 HydrophobicContact CG1-CD1 3.67Å; V140-L144 VanDerWaalsContact O-CG 3.31Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 3.15Å
141	A	98.5	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-45.6	179.5	0	0	0	0	0	112	L128 V137 N138 Q143 L144 D145 V146 L148 V151	L128-A141 HydrophobicContact CD1-CB 3.96Å; V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 2.99Å; N138-A141 PolarHBondContact O-N 3.42Å; A141-Q143 PolarHBondContact O-N 2.62Å; A141-L144 CarbonylContact O-C 3.43Å; A141-L144 PolarHBondContact O-N 3.24Å; A141-D145 PolarHBondContact O-N 3.22Å; A141-V146 HydrophobicContact CB-CB 4.19Å; A141-V146 PolarHBondContact O-N 2.89Å; A141-L148 HydrophobicContact CB-CD2 3.98Å; A141-V151 HydrophobicContact CB-CG2 3.62Å
142	E	97.7	Very high	97.6	Very high	125 Å²	125	46.4 Å²	46.4	58%	0.584	22%	0.22	S	C	*	.	H	α-helix	trans	-59	-42.4	175.6	-75.1	170.2	-173.8	0	0	112.7	N138 V140 L144 D145	N138-E142 WeakPolarHBondContact O-CB 3.38Å; N138-E142 VanDerWaalsContact O-CG 3.3Å; N138-E142 WeakPolarHBondContact O-CG 3.15Å; N138-E142 PolarHBondContact O-N 3.34Å; V140-E142 PolarHBondContact O-N 3.08Å; E142-L144 PolarHBondContact O-N 2.81Å; E142-D145 PolarHBondContact O-N 3.28Å
143	Q	97.7	Very high	97.7	Very high	73 Å²	73	47 Å²	47	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-70.1	-21.1	179.1	-73.7	-173.5	40.8	0	0	114.3	L108 R139 V140 A141	L108-Q143 HydrophobicContact CD1-CB 4.31Å; R139-Q143 WeakPolarHBondContact O-CG 3.06Å; R139-Q143 PolarHBondContact O-N 2.91Å; V140-Q143 PolarHBondContact O-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.62Å
144	L	98.5	Very high	97.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	4.5	-177.2	-62	173.2	0	0	0	112.6	V46 L108 I112 K113 I116 V140 A141 E142 V146	V46-L144 HydrophobicContact CG1-CD1 3.46Å; V46-L144 VanDerWaalsContact CG1-CD1 3.46Å; L108-L144 HydrophobicContact CD1-CD2 3.78Å; L108-L144 HydrophobicContact CD1-CG 4.38Å; L108-L144 HydrophobicContact CD2-CD1 4Å; L108-L144 HydrophobicContact CD2-CD2 4.22Å; L108-L144 HydrophobicContact CD2-CG 4.25Å; I112-L144 HydrophobicContact CG2-CD2 4.15Å; K113-L144 HydrophobicContact CB-CD2 4.12Å; K113-L144 HydrophobicContact CG-CD2 4.38Å; I116-L144 HydrophobicContact CD1-CB 3.86Å; I116-L144 HydrophobicContact CD1-CD1 3.62Å; I116-L144 HydrophobicContact CD1-CD2 4.13Å; I116-L144 HydrophobicContact CD1-CG 4.06Å; I116-L144 HydrophobicContact CG2-CB 4.49Å; I116-L144 VanDerWaalsContact CG2-O 3.29Å; I116-L144 WeakPolarHBondContact CG2-O 3.48Å; V140-L144 HydrophobicContact CG1-CD1 3.67Å; V140-L144 VanDerWaalsContact O-CG 3.31Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 3.15Å; A141-L144 CarbonylContact O-C 3.43Å; A141-L144 PolarHBondContact O-N 3.24Å; E142-L144 PolarHBondContact O-N 2.81Å; L144-V146 HydrophobicContact CB-CG2 4Å; L144-V146 PolarHBondContact O-N 3.24Å
145	D	98.3	Very high	97.7	Very high	124 Å²	124	50.2 Å²	50.2	66%	0.663	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.9	-174.7	-59.3	-55.5	0	0	0	113.5	H120 A141 E142	H120-D145 PolarHBondContact CE1-O 3.45Å; H120-D145 VanDerWaalsContact CE1-O 3.24Å; A141-D145 PolarHBondContact O-N 3.22Å; E142-D145 PolarHBondContact O-N 3.28Å
146	V	98.7	Very high	97.8	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.036	22%	0.223	C	C	.	.			trans	-86.3	125.4	175.1	-178.5	0	0	0	0	108.9	I116 V126 L128 A141 L144 L148 N150	I116-V146 HydrophobicContact CD1-CG2 4.3Å; I116-V146 HydrophobicContact CG2-CG2 4.19Å; V126-V146 HydrophobicContact CB-CG2 4.42Å; V126-V146 HydrophobicContact CG1-CG2 3.87Å; L128-V146 HydrophobicContact CG-CG1 4.31Å; A141-V146 HydrophobicContact CB-CB 4.19Å; A141-V146 PolarHBondContact O-N 2.89Å; L144-V146 HydrophobicContact CB-CG2 4Å; L144-V146 PolarHBondContact O-N 3.24Å; V146-L148 PolarHBondContact O-N 3.24Å; V146-N150 HydrophobicContact CG1-CB 4.05Å
147	P	98.2	Very high	97.9	Very high	40 Å²	40	50.1 Å²	50.1	26%	0.26	24%	0.238	S	C	.	.			trans	-59.8	137.7	178.9	-23.9	33.6	0	0	0	112.2	R149 N150	P147-R149 HydrophobicContact CB-CG 4.04Å; P147-R149 PolarHBondContact O-N 3.19Å; P147-R149 VanDerWaalsContact O-N 3.08Å; P147-N150 WeakPolarHBondContact O-CA 3.38Å; P147-N150 WeakPolarHBondContact O-CB 3.34Å; P147-N150 PolarHBondContact O-N 3.01Å
148	L	98	Very high	98	Very high	84 Å²	84	52.2 Å²	52.2	44%	0.44	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59	-27	-179.8	-61	-175.2	0	0	0	113.8	N138 A141 V146 N150 V151	N138-L148 HydrophobicContact CB-CD2 3.91Å; A141-L148 HydrophobicContact CB-CD2 3.98Å; V146-L148 PolarHBondContact O-N 3.24Å; L148-N150 PolarHBondContact O-N 2.71Å; L148-V151 WeakPolarHBondContact O-CB 3.42Å; L148-V151 PolarHBondContact O-N 3.22Å; L148-V151 VanDerWaalsContact O-N 3.15Å
149	R	97.6	Very high	98	Very high	184 Å²	184	53.4 Å²	53.4	69%	0.694	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.1	-14.2	173.2	70.3	176.9	-177.2	-81.6	-5.4	113.9	P147	P147-R149 HydrophobicContact CB-CG 4.04Å; P147-R149 PolarHBondContact O-N 3.19Å; P147-R149 VanDerWaalsContact O-N 3.08Å
150	N	98.5	Very high	98	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.059	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-98.9	11	176.7	-69.8	23.3	0	0	0	111.8	V126 Y127 L128 V146 P147 L148	V126-N150 VanDerWaalsContact O-CB 3.31Å; V126-N150 WeakPolarHBondContact O-CB 3.32Å; V126-N150 PolarHBondContact O-ND2 2.96Å; Y127-N150 VanDerWaalsContact CA-O 3.3Å; Y127-N150 WeakPolarHBondContact CA-O 3.5Å; Y127-N150 HydrophobicContact CD1-CB 3.49Å; Y127-N150 VanDerWaalsContact CD1-CB 3.49Å; Y127-N150 HydrophobicContact CE1-CB 3.78Å; Y127-N150 VanDerWaalsContact CE1-CG 3.44Å; Y127-N150 HydrophobicContact CG-CB 4.22Å; L128-N150 PolarHBondContact N-O 2.98Å; V146-N150 HydrophobicContact CG1-CB 4.05Å; P147-N150 WeakPolarHBondContact O-CA 3.38Å; P147-N150 WeakPolarHBondContact O-CB 3.34Å; P147-N150 PolarHBondContact O-N 3.01Å; L148-N150 PolarHBondContact O-N 2.71Å
151	V	98.5	Very high	98	Very high	21 Å²	21	64.9 Å²	64.9	13%	0.127	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	177.6	178.6	0	0	0	0	109.3	L128 V137 A141 L148	L128-V151 HydrophobicContact CB-CG2 4.43Å; L128-V151 HydrophobicContact CD1-CG2 4.46Å; V137-V151 HydrophobicContact CB-CG1 4.17Å; V137-V151 HydrophobicContact CG1-CG1 3.37Å; V137-V151 HydrophobicContact CG2-CG1 3.71Å; A141-V151 HydrophobicContact CB-CG2 3.62Å; L148-V151 WeakPolarHBondContact O-CB 3.42Å; L148-V151 PolarHBondContact O-N 3.22Å; L148-V151 VanDerWaalsContact O-N 3.15Å
152	Y	98.5	Very high	97.9	Very high	51 Å²	51	65.5 Å²	65.5	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.5	175.9	-66	-95.2	0	0	0	108.4	Y127 L128 L129 T130 V182 L186	Y127-Y152 HydrophobicContact CD1-CD2 4.43Å; Y127-Y152 AromaticContact CD1-CE2 3.82Å; Y127-Y152 HydrophobicContact CD1-CE2 3.82Å; Y127-Y152 HydrophobicContact CE1-CE2 4.27Å; L128-Y152 PolarHBondContact O-N 2.84Å; L129-Y152 WeakPolarHBondContact CA-O 3.44Å; L129-Y152 HydrophobicContact CD1-CD2 4.04Å; T130-Y152 PolarHBondContact N-O 3.38Å; Y152-V182 HydrophobicContact CD1-CB 4.45Å; Y152-V182 HydrophobicContact CD1-CG1 3.76Å; Y152-V182 HydrophobicContact CD1-CG2 3.77Å; Y152-V182 HydrophobicContact CD2-CG1 3.64Å; Y152-V182 HydrophobicContact CE1-CG1 3.94Å; Y152-V182 HydrophobicContact CE1-CG2 4.4Å; Y152-V182 HydrophobicContact CE2-CG1 3.83Å; Y152-V182 HydrophobicContact CG-CG1 3.61Å; Y152-V182 HydrophobicContact CG-CG2 4.02Å; Y152-L186 HydrophobicContact CE2-CD1 4.46Å; Y152-L186 HydrophobicContact CE2-CD2 4.17Å; Y152-L186 WeakPolarHBondContact OH-CD2 3.31Å
153	A	97.9	Very high	98	Very high	13 Å²	13	65.5 Å²	65.5	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168.7	-177.2	0	0	0	0	0	111	T130 V137 T173	T130-A153 HydrophobicContact CG2-CB 3.64Å; T130-A153 WeakPolarHBondContact O-CA 3.44Å; V137-A153 HydrophobicContact CG1-CB 3.6Å; A153-T173 WeakPolarHBondContact CA-OG1 3.31Å
154	N	97.5	Very high	98	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	156.5	174.2	-61.6	-33.3	0	0	0	110.6	G131 G132 F133 T134 T173 S174	G131-N154 PolarHBondContact O-ND2 3.05Å; G132-N154 WeakPolarHBondContact O-CB 3.42Å; G132-N154 PolarHBondContact O-N 2.89Å; F133-N154 CarbonylContact C-O 3.59Å; F133-N154 VanDerWaalsContact CA-O 3.24Å; F133-N154 WeakPolarHBondContact CA-O 3.33Å; F133-N154 HydrophobicContact CD1-CB 3.95Å; F133-N154 HydrophobicContact CE1-CB 4.26Å; T134-N154 PolarHBondContact N-O 2.96Å; T134-N154 PolarHBondContact OG1-O 2.82Å; N154-T173 PolarHBondContact N-OG1 3.07Å; N154-T173 PolarHBondContact ND2-O 3.24Å; N154-T173 VanDerWaalsContact ND2-O 3.09Å; N154-T173 PolarHBondContact OD1-O 2.84Å; N154-T173 PolarHBondContact OD1-OG1 3.2Å; N154-S174 WeakPolarHBondContact OD1-CA 3.42Å; N154-S174 PolarHBondContact OD1-N 2.86Å
155	K	97.1	Very high	97.9	Very high	110 Å²	110	66.8 Å²	66.8	48%	0.478	33%	0.331	S	S	.	.			trans	-123.9	123.8	178.8	-176.7	-179.6	177.2	-174.9	0	109.5	F167 D168	K155-F167 CarbonylContact O-C 3.52Å; K155-F167 WeakPolarHBondContact O-CA 3.35Å; K155-F167 VanDerWaalsContact O-CB 3.25Å; K155-F167 WeakPolarHBondContact O-CB 3.16Å; K155-D168 HydrophobicContact CB-CB 4.03Å; K155-D168 PolarHBondContact O-N 3.34Å
156	L	97.8	Very high	97.8	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.7	172	-63	171.7	0	0	0	109.7	M55 L87 P92 V97 F133 F158 Y164	M55-L156 HydrophobicContact CE-CD1 4.43Å; L87-L156 HydrophobicContact CD1-CD2 4.16Å; L87-L156 HydrophobicContact CD2-CD2 3.83Å; P92-L156 HydrophobicContact CG-CD1 4.27Å; P92-L156 HydrophobicContact CG-CD2 4.33Å; V97-L156 HydrophobicContact CG2-CD1 3.93Å; F133-L156 HydrophobicContact CB-CG 4.39Å; F133-L156 HydrophobicContact CD1-CD1 4.4Å; F133-L156 HydrophobicContact CD1-CD2 3.64Å; F133-L156 HydrophobicContact CD1-CG 3.68Å; F133-L156 HydrophobicContact CE1-CD2 3.52Å; F133-L156 HydrophobicContact CE1-CG 4.12Å; F133-L156 HydrophobicContact CG-CD1 4.25Å; F133-L156 HydrophobicContact CG-CD2 4.26Å; F133-L156 HydrophobicContact CG-CG 3.99Å; F133-L156 HydrophobicContact CZ-CD2 4.05Å; L156-F158 HydrophobicContact CB-CE1 4.36Å; L156-F158 HydrophobicContact CB-CE2 3.78Å; L156-F158 HydrophobicContact CB-CZ 3.58Å; L156-F158 HydrophobicContact CD1-CZ 4.07Å; L156-F158 HydrophobicContact CG-CZ 4.48Å; L156-Y164 HydrophobicContact CD2-CD2 4.29Å; L156-Y164 HydrophobicContact CD2-CE2 3.78Å
157	L	97.8	Very high	97.7	Very high	72 Å²	72	61.7 Å²	61.7	38%	0.377	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.9	176.6	-57.9	179	0	0	0	109.3	C165 G166	L157-C165 PolarHBondContact O-N 3.39Å; L157-G166 PolarHBondContact N-O 3.45Å
158	F	98	Very high	97.7	Very high	48 Å²	48	62.1 Å²	62.1	21%	0.211	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.4	-177.7	-50.4	-85.4	0	0	0	110.6	P92 L94 V97 H135 L156 F163 C165	P92-F158 VanDerWaalsContact O-CE1 3.25Å; P92-F158 WeakPolarHBondContact O-CE1 3.46Å; L94-F158 HydrophobicContact CB-CD1 3.92Å; L94-F158 HydrophobicContact CB-CD2 4.41Å; L94-F158 HydrophobicContact CB-CE1 4.04Å; L94-F158 HydrophobicContact CB-CG 4.11Å; L94-F158 HydrophobicContact CB-CZ 4.36Å; L94-F158 HydrophobicContact CD1-CD2 4.23Å; L94-F158 HydrophobicContact CD1-CE2 3.92Å; L94-F158 HydrophobicContact CD1-CZ 4.15Å; V97-F158 HydrophobicContact CG2-CE1 4.48Å; V97-F158 HydrophobicContact CG2-CZ 4.07Å; H135-F158 AromaticContact NE2-CE2 3.8Å; L156-F158 HydrophobicContact CB-CE1 4.36Å; L156-F158 HydrophobicContact CB-CE2 3.78Å; L156-F158 HydrophobicContact CB-CZ 3.58Å; L156-F158 HydrophobicContact CD1-CZ 4.07Å; L156-F158 HydrophobicContact CG-CZ 4.48Å; F158-F163 CarbonylContact C-O 3.53Å; F158-F163 WeakPolarHBondContact CA-O 3.38Å; F158-C165 VanDerWaalsContact CA-SG 3.54Å
159	D	97.9	Very high	97.5	Very high	65 Å²	65	63.5 Å²	63.5	35%	0.348	31%	0.311	S	S	.	.			trans	-82.9	-178.2	177.4	71.1	4.4	0	0	0	110	N161 G162 F163 C165	D159-N161 PolarHBondContact O-N 3.28Å; D159-N161 VanDerWaalsContact O-N 3.11Å; D159-N161 VanDerWaalsContact OD1-C 3.3Å; D159-N161 WeakPolarHBondContact OD1-CA 3.19Å; D159-N161 WeakPolarHBondContact OD1-CB 3.43Å; D159-N161 PolarHBondContact OD1-N 3.46Å; D159-G162 PolarHBondContact O-N 2.83Å; D159-G162 PolarHBondContact OD1-N 2.88Å; D159-F163 PolarHBondContact N-O 3.09Å; D159-F163 PolarHBondContact OD1-N 3.4Å; D159-C165 VanDerWaalsContact CA-SG 3.59Å; D159-C165 VanDerWaalsContact CB-SG 3.59Å; D159-C165 PolarHBondContact N-SG 2.79Å
160	E	97.5	Very high	97.3	Very high	202 Å²	202	60.4 Å²	60.4	94%	0.944	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.2	178.7	-61.4	179.4	178.2	0	0	113.2
161	N	97.6	Very high	97.1	Very high	126 Å²	126	60.4 Å²	60.4	67%	0.674	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0.5	178.3	-58.2	-61.8	0	0	0	112.8	D159 F163	D159-N161 PolarHBondContact O-N 3.28Å; D159-N161 VanDerWaalsContact O-N 3.11Å; D159-N161 VanDerWaalsContact OD1-C 3.3Å; D159-N161 WeakPolarHBondContact OD1-CA 3.19Å; D159-N161 WeakPolarHBondContact OD1-CB 3.43Å; D159-N161 PolarHBondContact OD1-N 3.46Å; N161-F163 HydrophobicContact CB-CD2 3.59Å; N161-F163 HydrophobicContact CB-CE2 3.62Å
162	G	97.7	Very high	96.9	Very high	13 Å²	13	61.1 Å²	61.1	13%	0.134	32%	0.32	C	S	.	.	S	Bend	trans	79.8	13.3	-178.2	0	0	0	0	0	114.7	S93 L94 D159	S93-G162 CarbonylContact C-O 3.59Å; S93-G162 WeakPolarHBondContact CA-O 3.29Å; S93-G162 WeakPolarHBondContact CB-O 3.38Å; L94-G162 PolarHBondContact N-O 3.17Å; D159-G162 PolarHBondContact O-N 2.83Å; D159-G162 PolarHBondContact OD1-N 2.88Å
163	F	98.1	Very high	96.7	Very high	125 Å²	125	59 Å²	59	55%	0.548	31%	0.312	S	S	.	.			trans	-80.3	146.9	172.5	-62	-66.2	0	0	0	111.1	F158 D159 N161 C165	F158-F163 CarbonylContact C-O 3.53Å; F158-F163 WeakPolarHBondContact CA-O 3.38Å; D159-F163 PolarHBondContact N-O 3.09Å; D159-F163 PolarHBondContact OD1-N 3.4Å; N161-F163 HydrophobicContact CB-CD2 3.59Å; N161-F163 HydrophobicContact CB-CE2 3.62Å; F163-C165 PolarHBondContact O-N 3.36Å; F163-C165 PolarHBondContact O-SG 3.01Å; F163-C165 VanDerWaalsContact O-SG 3.37Å
164	Y	97.6	Very high	96.4	Very high	26 Å²	26	58.4 Å²	58.4	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.9	179	177.2	-103.2	0	0	0	111.7	L87 P92 L156 G166	L87-Y164 HydrophobicContact CB-CE1 4.14Å; L87-Y164 HydrophobicContact CB-CE2 4.3Å; L87-Y164 WeakPolarHBondContact CB-OH 3.48Å; L87-Y164 HydrophobicContact CD1-CE2 4.39Å; L87-Y164 WeakPolarHBondContact CD1-OH 3.45Å; L87-Y164 HydrophobicContact CD2-CE2 4.4Å; P92-Y164 HydrophobicContact CG-CD2 3.95Å; P92-Y164 HydrophobicContact CG-CE2 4.39Å; P92-Y164 HydrophobicContact CG-CG 4.41Å; L156-Y164 HydrophobicContact CD2-CD2 4.29Å; L156-Y164 HydrophobicContact CD2-CE2 3.78Å; Y164-G166 VanDerWaalsContact CE2-C 3.49Å; Y164-G166 WeakPolarHBondContact CE2-O 3.5Å; Y164-G166 VanDerWaalsContact CZ-CA 3.41Å; Y164-G166 VanDerWaalsContact OH-CA 3.3Å; Y164-G166 WeakPolarHBondContact OH-CA 3.29Å
165	C	97	Very high	96	Very high	78 Å²	78	62.5 Å²	62.5	53%	0.527	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-11.6	175.1	-28.1	0	0	0	0	113.9	L157 F158 D159 F163	L157-C165 PolarHBondContact O-N 3.39Å; F158-C165 VanDerWaalsContact CA-SG 3.54Å; D159-C165 VanDerWaalsContact CA-SG 3.59Å; D159-C165 VanDerWaalsContact CB-SG 3.59Å; D159-C165 PolarHBondContact N-SG 2.79Å; F163-C165 PolarHBondContact O-N 3.36Å; F163-C165 PolarHBondContact O-SG 3.01Å; F163-C165 VanDerWaalsContact O-SG 3.37Å
166	G	97	Very high	95.6	Very high	16 Å²	16	60.9 Å²	60.9	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.1	-166.2	-169.3	0	0	0	0	0	112.2	L157 Y164	L157-G166 PolarHBondContact N-O 3.45Å; Y164-G166 VanDerWaalsContact CE2-C 3.49Å; Y164-G166 WeakPolarHBondContact CE2-O 3.5Å; Y164-G166 VanDerWaalsContact CZ-CA 3.41Å; Y164-G166 VanDerWaalsContact OH-CA 3.3Å; Y164-G166 WeakPolarHBondContact OH-CA 3.29Å
167	F	96.7	Very high	95.2	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.4	170.1	58.4	-87.4	0	0	0	109.3	R80 L83 T84 L87 K155 E169	R80-F167 HydrophobicContact CG-CE2 4.33Å; R80-F167 HydrophobicContact CG-CZ 3.96Å; L83-F167 HydrophobicContact CD2-CD2 4.34Å; L83-F167 HydrophobicContact CD2-CE1 4.38Å; L83-F167 HydrophobicContact CD2-CE2 4.12Å; L83-F167 HydrophobicContact CD2-CZ 4.13Å; L83-F167 HydrophobicContact CG-CE1 4.27Å; L83-F167 HydrophobicContact CG-CZ 4.37Å; T84-F167 WeakPolarHBondContact OG1-CE1 3.42Å; T84-F167 WeakPolarHBondContact OG1-CZ 3.44Å; L87-F167 HydrophobicContact CD1-CB 4.44Å; L87-F167 HydrophobicContact CD1-CD1 3.49Å; L87-F167 VanDerWaalsContact CD1-CD1 3.49Å; L87-F167 HydrophobicContact CD1-CE1 4.08Å; L87-F167 HydrophobicContact CD1-CG 4.22Å; K155-F167 CarbonylContact O-C 3.52Å; K155-F167 WeakPolarHBondContact O-CA 3.35Å; K155-F167 VanDerWaalsContact O-CB 3.25Å; K155-F167 WeakPolarHBondContact O-CB 3.16Å; F167-E169 HydrophobicContact CD2-CG 4.28Å; F167-E169 HydrophobicContact CE2-CG 3.87Å; F167-E169 HydrophobicContact CZ-CG 4.33Å; F167-E169 PolarHBondContact O-N 3.35Å
168	D	96.4	Very high	95.1	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	33%	0.325	S	S	.	.			trans	-68.1	99.7	175.9	-175.4	-3.4	0	0	0	110.4	K155 T170 A171	K155-D168 HydrophobicContact CB-CB 4.03Å; K155-D168 PolarHBondContact O-N 3.34Å; D168-T170 PolarHBondContact O-N 3.48Å; D168-T170 WeakPolarHBondContact OD1-CA 3.43Å; D168-T170 WeakPolarHBondContact OD1-CB 3.29Å; D168-T170 PolarHBondContact OD1-N 2.84Å; D168-T170 PolarHBondContact OD1-OG1 3.08Å; D168-A171 WeakPolarHBondContact O-CB 3.42Å; D168-A171 PolarHBondContact O-N 3.17Å
169	E	94	Very high	95.1	Very high	112 Å²	112	59.6 Å²	59.6	52%	0.523	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	178.4	-64	-176.9	-163.2	0	0	112.9	R80 F167 A171 S174	R80-E169 PolarHBondContact NH2-O 3.23Å; F167-E169 HydrophobicContact CD2-CG 4.28Å; F167-E169 HydrophobicContact CE2-CG 3.87Å; F167-E169 HydrophobicContact CZ-CG 4.33Å; F167-E169 PolarHBondContact O-N 3.35Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-S174 PolarHBondContact O-OG 2.81Å
170	T	94.8	Very high	95.1	Very high	119 Å²	119	60.5 Å²	60.5	73%	0.73	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14	176.7	75.5	0	0	0	0	112.8	D168 P172	D168-T170 PolarHBondContact O-N 3.48Å; D168-T170 WeakPolarHBondContact OD1-CA 3.43Å; D168-T170 WeakPolarHBondContact OD1-CB 3.29Å; D168-T170 PolarHBondContact OD1-N 2.84Å; D168-T170 PolarHBondContact OD1-OG1 3.08Å; T170-P172 WeakPolarHBondContact O-CD 3.31Å
171	A	94.5	Very high	95.2	Very high	12 Å²	12	53.9 Å²	53.9	10%	0.099	29%	0.29	C	S	.	.	S	Bend	trans	-63.9	125	174.6	0	0	0	0	0	109.8	D168 E169 T173 S174	D168-A171 WeakPolarHBondContact O-CB 3.42Å; D168-A171 PolarHBondContact O-N 3.17Å; E169-A171 VanDerWaalsContact C-N 3.32Å; A171-T173 PolarHBondContact O-N 3Å; A171-T173 VanDerWaalsContact O-N 3.15Å; A171-S174 WeakPolarHBondContact O-CB 3.46Å; A171-S174 PolarHBondContact O-N 3.09Å; A171-S174 PolarHBondContact O-OG 3.47Å
172	P	94	Very high	95.2	Very high	36 Å²	36	47.9 Å²	47.9	23%	0.234	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.2	-37.7	-178.5	-28.2	34.9	0	0	0	113	T170 S174 E175 G178 T181 V182	T170-P172 WeakPolarHBondContact O-CD 3.31Å; P172-S174 PolarHBondContact O-N 3.37Å; P172-E175 PolarHBondContact O-N 2.86Å; P172-E175 VanDerWaalsContact O-N 3.08Å; P172-G178 VanDerWaalsContact C-CA 3.5Å; P172-G178 WeakPolarHBondContact O-CA 3.42Å; P172-T181 HydrophobicContact CB-CG2 4.23Å; P172-V182 HydrophobicContact CB-CG2 3.89Å; P172-V182 HydrophobicContact CG-CG2 4.25Å
173	T	93.3	Very high	95.3	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.037	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.7	-0	179.5	50.5	0	0	0	0	114.8	F79 T130 A153 N154 A171 E175	F79-T173 WeakPolarHBondContact CE1-O 3.44Å; T130-T173 WeakPolarHBondContact O-CB 3.09Å; T130-T173 WeakPolarHBondContact O-CG2 3.29Å; A153-T173 WeakPolarHBondContact CA-OG1 3.31Å; N154-T173 PolarHBondContact N-OG1 3.07Å; N154-T173 PolarHBondContact ND2-O 3.24Å; N154-T173 VanDerWaalsContact ND2-O 3.09Å; N154-T173 PolarHBondContact OD1-O 2.84Å; N154-T173 PolarHBondContact OD1-OG1 3.2Å; A171-T173 PolarHBondContact O-N 3Å; A171-T173 VanDerWaalsContact O-N 3.15Å; T173-E175 VanDerWaalsContact C-N 3.33Å
174	S	91.5	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-85.9	-8	171.1	71.8	0	0	0	0	112.8	R80 N154 E169 A171 P172	R80-S174 WeakPolarHBondContact CA-O 3.42Å; R80-S174 VanDerWaalsContact CB-O 3.29Å; R80-S174 WeakPolarHBondContact CB-O 3.42Å; R80-S174 PolarHBondContact NH2-OG 2.91Å; N154-S174 WeakPolarHBondContact OD1-CA 3.42Å; N154-S174 PolarHBondContact OD1-N 2.86Å; E169-S174 PolarHBondContact O-OG 2.81Å; A171-S174 WeakPolarHBondContact O-CB 3.46Å; A171-S174 PolarHBondContact O-N 3.09Å; A171-S174 PolarHBondContact O-OG 3.47Å; P172-S174 PolarHBondContact O-N 3.37Å
175	E	90.8	Very high	95.3	Very high	86 Å²	86	45.1 Å²	45.1	40%	0.402	25%	0.248	S	C	.	.	S	Bend	trans	-108.3	159.7	179.8	-61.7	-78	-161.9	0	0	111.9	R80 P172 T173 D177 G178	R80-E175 IonicContact CZ-OE1 2.84Å; R80-E175 IonicContact CZ-OE2 3.41Å; R80-E175 VanDerWaalsContact NH1-CD 3.27Å; R80-E175 IonicContact NH1-OE1 2.76Å; R80-E175 PolarHBondContact NH1-OE1 3.1Å; R80-E175 IonicContact NH1-OE2 2.71Å; R80-E175 PolarHBondContact NH1-OE2 3.22Å; R80-E175 VanDerWaalsContact NH2-CG 3.33Å; R80-E175 IonicContact NH2-OE1 3.23Å; R80-E175 PolarHBondContact NH2-OE1 3.31Å; R80-E175 IonicContact NH2-OE2 2.71Å; P172-E175 PolarHBondContact O-N 2.86Å; P172-E175 VanDerWaalsContact O-N 3.08Å; T173-E175 VanDerWaalsContact C-N 3.33Å; E175-D177 VanDerWaalsContact C-N 3.31Å; E175-D177 PolarHBondContact O-N 3.38Å; E175-G178 PolarHBondContact O-N 2.6Å; E175-G178 VanDerWaalsContact O-N 3.08Å
176	D	86.9	Confident	95.4	Very high	77 Å²	77	41.4 Å²	41.4	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.9	177.2	-68.9	-43	0	0	0	112.8	S78 F79 G178 T203	S78-D176 WeakPolarHBondContact CB-OD2 3.49Å; F79-D176 WeakPolarHBondContact CA-OD1 3.45Å; F79-D176 WeakPolarHBondContact CB-OD1 3.42Å; F79-D176 PolarHBondContact N-OD1 3.4Å; D176-G178 VanDerWaalsContact C-N 3.33Å; D176-T203 WeakPolarHBondContact O-CG2 3.42Å
177	D	91.3	Very high	95.5	Very high	81 Å²	81	42.6 Å²	42.6	43%	0.433	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	19.9	178.7	-83	-45.6	0	0	0	113	E175 K179 R180 T181	E175-D177 VanDerWaalsContact C-N 3.31Å; E175-D177 PolarHBondContact O-N 3.38Å; D177-K179 PolarHBondContact O-N 3.19Å; D177-R180 HydrophobicContact CB-CB 4.38Å; D177-R180 WeakPolarHBondContact O-CB 3.25Å; D177-R180 PolarHBondContact O-N 3.47Å; D177-R180 IonicContact OD1-NE 2.75Å; D177-R180 PolarHBondContact OD1-NE 2.87Å; D177-T181 PolarHBondContact O-N 3.14Å; D177-T181 PolarHBondContact O-OG1 3.23Å
178	G	95.3	Very high	95.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-47.1	-174.6	0	0	0	0	0	113.9	P172 E175 D176 T181 V182	P172-G178 VanDerWaalsContact C-CA 3.5Å; P172-G178 WeakPolarHBondContact O-CA 3.42Å; E175-G178 PolarHBondContact O-N 2.6Å; E175-G178 VanDerWaalsContact O-N 3.08Å; D176-G178 VanDerWaalsContact C-N 3.33Å; G178-T181 WeakPolarHBondContact O-CB 3.49Å; G178-T181 PolarHBondContact O-N 3.17Å; G178-V182 WeakPolarHBondContact O-CG2 3.11Å; G178-V182 PolarHBondContact O-N 3.28Å
179	K	97.7	Very high	95.6	Very high	14 Å²	14	52.5 Å²	52.5	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-40.4	179.7	-60.6	-176.9	176.4	170.7	0	111.8	D41 L129 D177 T181 V182 C183 M197 D204 A207	D41-K179 IonicContact OD1-NZ 2.98Å; D41-K179 PolarHBondContact OD1-NZ 2.84Å; D41-K179 IonicContact OD2-NZ 2.67Å; D41-K179 PolarHBondContact OD2-NZ 3.15Å; L129-K179 HydrophobicContact CB-CG 4.25Å; L129-K179 HydrophobicContact CD2-CB 4.23Å; L129-K179 WeakPolarHBondContact O-CE 3.32Å; D177-K179 PolarHBondContact O-N 3.19Å; K179-T181 VanDerWaalsContact C-N 3.33Å; K179-T181 PolarHBondContact O-N 3.41Å; K179-V182 PolarHBondContact O-N 2.82Å; K179-C183 PolarHBondContact O-N 2.9Å; K179-C183 PolarHBondContact O-SG 2.85Å; K179-C183 VanDerWaalsContact O-SG 3.34Å; K179-M197 HydrophobicContact CD-CE 3.82Å; K179-D204 WeakPolarHBondContact CD-OD1 3.24Å; K179-D204 WeakPolarHBondContact CE-OD1 3.33Å; K179-D204 IonicContact NZ-OD1 3.68Å; K179-D204 PolarHBondContact NZ-OD1 2.95Å; K179-D204 IonicContact NZ-OD2 3.57Å; K179-D204 PolarHBondContact NZ-OD2 3.1Å; K179-A207 HydrophobicContact CB-CB 4.14Å
180	R	98.2	Very high	95.8	Very high	83 Å²	83	52.5 Å²	52.5	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-56.4	-47.4	171.8	175.6	-166.3	-77.5	-78.3	-6.7	111.2	D177 C183 G184 C206 P209 P210	D177-R180 HydrophobicContact CB-CB 4.38Å; D177-R180 WeakPolarHBondContact O-CB 3.25Å; D177-R180 PolarHBondContact O-N 3.47Å; D177-R180 IonicContact OD1-NE 2.75Å; D177-R180 PolarHBondContact OD1-NE 2.87Å; R180-C183 PolarHBondContact O-N 3.03Å; R180-G184 PolarHBondContact O-N 3.16Å; R180-C206 PolarHBondContact NE-O 3.27Å; R180-C206 VanDerWaalsContact NE-O 3.12Å; R180-C206 PolarHBondContact NH2-O 3.12Å; R180-P209 VanDerWaalsContact CZ-O 3.28Å; R180-P209 PolarHBondContact NH1-O 3.42Å; R180-P210 WeakPolarHBondContact O-CG 3.41Å
181	T	98.1	Very high	95.9	Very high	63 Å²	63	49.3 Å²	49.3	39%	0.387	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-47.6	179.7	-59.6	0	0	0	0	111.2	P172 D177 G178 K179 G184 Q185	P172-T181 HydrophobicContact CB-CG2 4.23Å; D177-T181 PolarHBondContact O-N 3.14Å; D177-T181 PolarHBondContact O-OG1 3.23Å; G178-T181 WeakPolarHBondContact O-CB 3.49Å; G178-T181 PolarHBondContact O-N 3.17Å; K179-T181 VanDerWaalsContact C-N 3.33Å; K179-T181 PolarHBondContact O-N 3.41Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-Q185 WeakPolarHBondContact O-CG 3.31Å; T181-Q185 PolarHBondContact O-N 3.34Å
182	V	98.5	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-48.5	177.8	175.2	0	0	0	0	111.2	L129 Y152 P172 G178 K179 G184 Q185 L186	L129-V182 HydrophobicContact CD1-CG1 4.09Å; L129-V182 HydrophobicContact CD2-CB 3.87Å; L129-V182 HydrophobicContact CD2-CG1 3.73Å; L129-V182 HydrophobicContact CG-CB 4.28Å; L129-V182 HydrophobicContact CG-CG1 3.85Å; Y152-V182 HydrophobicContact CD1-CB 4.45Å; Y152-V182 HydrophobicContact CD1-CG1 3.76Å; Y152-V182 HydrophobicContact CD1-CG2 3.77Å; Y152-V182 HydrophobicContact CD2-CG1 3.64Å; Y152-V182 HydrophobicContact CE1-CG1 3.94Å; Y152-V182 HydrophobicContact CE1-CG2 4.4Å; Y152-V182 HydrophobicContact CE2-CG1 3.83Å; Y152-V182 HydrophobicContact CG-CG1 3.61Å; Y152-V182 HydrophobicContact CG-CG2 4.02Å; P172-V182 HydrophobicContact CB-CG2 3.89Å; P172-V182 HydrophobicContact CG-CG2 4.25Å; G178-V182 WeakPolarHBondContact O-CG2 3.11Å; G178-V182 PolarHBondContact O-N 3.28Å; K179-V182 PolarHBondContact O-N 2.82Å; V182-G184 VanDerWaalsContact C-N 3.25Å; V182-G184 PolarHBondContact O-N 2.95Å; V182-Q185 WeakPolarHBondContact O-CB 3.5Å; V182-Q185 PolarHBondContact O-N 2.85Å; V182-Q185 VanDerWaalsContact O-N 3.12Å; V182-L186 HydrophobicContact CG1-CD1 3.92Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 3.49Å
183	C	98.7	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.9	-41.2	176.7	-72	0	0	0	0	112	K179 R180 L186 K187 L195 P210	K179-C183 PolarHBondContact O-N 2.9Å; K179-C183 PolarHBondContact O-SG 2.85Å; K179-C183 VanDerWaalsContact O-SG 3.34Å; R180-C183 PolarHBondContact O-N 3.03Å; C183-L186 PolarHBondContact O-N 2.83Å; C183-K187 WeakPolarHBondContact O-CG 3.34Å; C183-K187 PolarHBondContact O-N 3.08Å; C183-K187 VanDerWaalsContact O-N 3.11Å; C183-L195 HydrophobicContact CB-CD2 4Å; C183-P210 HydrophobicContact CB-CG 3.91Å
184	G	98.5	Very high	96.6	Very high	15 Å²	15	61.3 Å²	61.3	16%	0.155	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-44.6	176.1	0	0	0	0	0	112.8	R180 T181 V182 L186 K187 N188 P210	R180-G184 PolarHBondContact O-N 3.16Å; T181-G184 PolarHBondContact O-N 3.15Å; V182-G184 VanDerWaalsContact C-N 3.25Å; V182-G184 PolarHBondContact O-N 2.95Å; G184-L186 PolarHBondContact O-N 3.04Å; G184-K187 PolarHBondContact O-N 2.94Å; G184-N188 WeakPolarHBondContact O-CB 3.41Å; G184-N188 VanDerWaalsContact O-CG 3.24Å; G184-N188 PolarHBondContact O-N 3.18Å; G184-N188 PolarHBondContact O-ND2 3.19Å; G184-P210 VanDerWaalsContact CA-CG 3.49Å; G184-P210 VanDerWaalsContact N-CG 3.29Å
185	Q	98.2	Very high	96.9	Very high	91 Å²	91	61.3 Å²	61.3	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-44.2	175.9	-72.5	173.6	-11.7	0	0	111.8	T181 V182 N188 L189	T181-Q185 WeakPolarHBondContact O-CG 3.31Å; T181-Q185 PolarHBondContact O-N 3.34Å; V182-Q185 WeakPolarHBondContact O-CB 3.5Å; V182-Q185 PolarHBondContact O-N 2.85Å; V182-Q185 VanDerWaalsContact O-N 3.12Å; Q185-N188 PolarHBondContact O-N 3.34Å; Q185-L189 VanDerWaalsContact O-CB 3.24Å; Q185-L189 WeakPolarHBondContact O-CB 3.39Å; Q185-L189 PolarHBondContact O-N 3.44Å
186	L	98.7	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178.7	-69.9	175.5	0	0	0	112.1	Y127 Y152 V182 C183 G184 N188 L189 Y190 Y192 L195	Y127-L186 HydrophobicContact CD1-CD1 3.79Å; Y127-L186 HydrophobicContact CD1-CD2 4Å; Y127-L186 HydrophobicContact CD2-CD1 3.9Å; Y127-L186 HydrophobicContact CE1-CD1 3.96Å; Y127-L186 HydrophobicContact CE1-CD2 3.39Å; Y127-L186 HydrophobicContact CE1-CG 4.33Å; Y127-L186 HydrophobicContact CE2-CD1 4.06Å; Y127-L186 HydrophobicContact CE2-CD2 4.34Å; Y127-L186 HydrophobicContact CG-CD1 3.77Å; Y152-L186 HydrophobicContact CE2-CD1 4.46Å; Y152-L186 HydrophobicContact CE2-CD2 4.17Å; Y152-L186 WeakPolarHBondContact OH-CD2 3.31Å; V182-L186 HydrophobicContact CG1-CD1 3.92Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 3.49Å; C183-L186 PolarHBondContact O-N 2.83Å; G184-L186 PolarHBondContact O-N 3.04Å; L186-N188 VanDerWaalsContact C-N 3.34Å; L186-N188 PolarHBondContact O-N 3.19Å; L186-L189 PolarHBondContact O-N 3.22Å; L186-Y190 HydrophobicContact CD2-CD2 4.1Å; L186-Y190 HydrophobicContact CD2-CE2 3.88Å; L186-Y190 PolarHBondContact O-N 3.22Å; L186-Y192 HydrophobicContact CB-CD2 4.29Å; L186-Y192 HydrophobicContact CB-CE2 4.41Å; L186-L195 HydrophobicContact CB-CD1 4Å; L186-L195 HydrophobicContact CD1-CD1 4.38Å
187	K	98.6	Very high	97.8	Very high	42 Å²	42	53.6 Å²	53.6	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-41	175.3	-69.5	-175.6	73.8	152.8	0	111.9	C183 G184 G191 Y192 L195 P210 D212	C183-K187 WeakPolarHBondContact O-CG 3.34Å; C183-K187 PolarHBondContact O-N 3.08Å; C183-K187 VanDerWaalsContact O-N 3.11Å; G184-K187 PolarHBondContact O-N 2.94Å; K187-G191 WeakPolarHBondContact O-CA 3.41Å; K187-G191 PolarHBondContact O-N 2.94Å; K187-Y192 VanDerWaalsContact CE-O 3.28Å; K187-Y192 WeakPolarHBondContact CE-O 3.35Å; K187-L195 HydrophobicContact CD-CB 4.17Å; K187-L195 HydrophobicContact CG-CB 4.11Å; K187-L195 HydrophobicContact CG-CD1 3.99Å; K187-P210 HydrophobicContact CD-CB 4.38Å; K187-P210 VanDerWaalsContact CD-O 3.25Å; K187-P210 WeakPolarHBondContact CD-O 3.49Å; K187-P210 PolarHBondContact NZ-O 3.4Å; K187-D212 IonicContact NZ-OD1 2.72Å; K187-D212 PolarHBondContact NZ-OD1 3.22Å; K187-D212 IonicContact NZ-OD2 2.74Å; K187-D212 PolarHBondContact NZ-OD2 3.35Å
188	N	98.3	Very high	98.2	Very high	145 Å²	145	49.7 Å²	49.7	78%	0.775	25%	0.246	S	C	*	.	H	α-helix	trans	-68.8	-40	178.4	-69.9	-18.1	0	0	0	112.6	G184 Q185 L186	G184-N188 WeakPolarHBondContact O-CB 3.41Å; G184-N188 VanDerWaalsContact O-CG 3.24Å; G184-N188 PolarHBondContact O-N 3.18Å; G184-N188 PolarHBondContact O-ND2 3.19Å; Q185-N188 PolarHBondContact O-N 3.34Å; L186-N188 VanDerWaalsContact C-N 3.34Å; L186-N188 PolarHBondContact O-N 3.19Å
189	L	97.9	Very high	98.4	Very high	119 Å²	119	49.7 Å²	49.7	62%	0.623	25%	0.245	S	C	*	.	H	α-helix	trans	-74.9	-41.7	-175.7	-179.3	58.7	0	0	0	112.5	Q185 L186	Q185-L189 VanDerWaalsContact O-CB 3.24Å; Q185-L189 WeakPolarHBondContact O-CB 3.39Å; Q185-L189 PolarHBondContact O-N 3.44Å; L186-L189 PolarHBondContact O-N 3.22Å
190	Y	98.2	Very high	98.3	Very high	113 Å²	113	49.1 Å²	49.1	44%	0.443	24%	0.243	S	C	.	.	H	α-helix	trans	-110.9	-6	-172.7	-61.1	-69.4	0	0	0	114	Y127 L186 Y192	Y127-Y190 WeakPolarHBondContact OH-CE2 3.24Å; L186-Y190 HydrophobicContact CD2-CD2 4.1Å; L186-Y190 HydrophobicContact CD2-CE2 3.88Å; L186-Y190 PolarHBondContact O-N 3.22Å; Y190-Y192 VanDerWaalsContact C-N 3.29Å; Y190-Y192 HydrophobicContact CD2-CD2 4.47Å; Y190-Y192 AromaticContact CD2-CE2 3.64Å; Y190-Y192 HydrophobicContact CD2-CE2 3.64Å; Y190-Y192 AromaticContact CG-CE2 3.88Å; Y190-Y192 HydrophobicContact CG-CE2 3.88Å; Y190-Y192 AromaticContact CG-CZ 3.86Å; Y190-Y192 PolarHBondContact O-N 3.44Å
191	G	97.8	Very high	98.2	Very high	51 Å²	51	45.6 Å²	45.6	53%	0.526	23%	0.232	S	C	.	.			trans	69.9	22.9	179.9	0	0	0	0	0	114.2	K187 K193	K187-G191 WeakPolarHBondContact O-CA 3.41Å; K187-G191 PolarHBondContact O-N 2.94Å; G191-K193 PolarHBondContact O-N 3.45Å
192	Y	98.5	Very high	97.9	Very high	41 Å²	41	46.1 Å²	46.1	16%	0.161	23%	0.232	C	C	.	.			trans	-56.8	124.8	178.3	-63	-46	0	0	0	110.9	D36 A37 A125 Y127 L186 K187 Y190 L195	D36-Y192 HydrophobicContact CB-CD1 3.71Å; D36-Y192 HydrophobicContact CB-CE1 4.48Å; D36-Y192 HydrophobicContact CB-CG 4.37Å; A37-Y192 HydrophobicContact CB-CD1 4.06Å; A37-Y192 HydrophobicContact CB-CD2 3.66Å; A37-Y192 HydrophobicContact CB-CE1 4.12Å; A37-Y192 HydrophobicContact CB-CE2 3.72Å; A37-Y192 HydrophobicContact CB-CG 3.84Å; A125-Y192 HydrophobicContact CB-CE1 4.34Å; A125-Y192 VanDerWaalsContact CB-OH 3.29Å; A125-Y192 WeakPolarHBondContact CB-OH 3.45Å; Y127-Y192 AromaticContact CE2-CE2 3.91Å; Y127-Y192 HydrophobicContact CE2-CE2 3.91Å; Y127-Y192 WeakPolarHBondContact OH-CE2 3.25Å; Y127-Y192 PolarHBondContact OH-OH 3.03Å; L186-Y192 HydrophobicContact CB-CD2 4.29Å; L186-Y192 HydrophobicContact CB-CE2 4.41Å; K187-Y192 VanDerWaalsContact CE-O 3.28Å; K187-Y192 WeakPolarHBondContact CE-O 3.35Å; Y190-Y192 VanDerWaalsContact C-N 3.29Å; Y190-Y192 HydrophobicContact CD2-CD2 4.47Å; Y190-Y192 AromaticContact CD2-CE2 3.64Å; Y190-Y192 HydrophobicContact CD2-CE2 3.64Å; Y190-Y192 AromaticContact CG-CE2 3.88Å; Y190-Y192 HydrophobicContact CG-CE2 3.88Å; Y190-Y192 AromaticContact CG-CZ 3.86Å; Y190-Y192 PolarHBondContact O-N 3.44Å; Y192-L195 HydrophobicContact CD2-CD1 4.21Å
193	K	97.9	Very high	97.7	Very high	168 Å²	168	48.5 Å²	48.5	73%	0.73	25%	0.246	S	C	*	.	S	Bend	trans	-95.7	-23	179.3	-60.4	-175.4	-179.7	177.8	0	112.3	D36 G191 D212	D36-K193 WeakPolarHBondContact OD2-CA 3.45Å; D36-K193 PolarHBondContact OD2-N 3.49Å; G191-K193 PolarHBondContact O-N 3.45Å; K193-D212 VanDerWaalsContact O-CG 3.25Å; K193-D212 VanDerWaalsContact O-OD2 3.08Å
194	R	98.1	Very high	97.6	Very high	97 Å²	97	48.5 Å²	48.5	37%	0.366	25%	0.246	S	C	.	.	S	Bend	trans	-130.7	73.1	-177.7	-61.7	167.8	-70.1	-170.1	11.9	109.1	L31 H34 D36 A37 D212	L31-R194 HydrophobicContact CD2-CG 4.03Å; H34-R194 VanDerWaalsContact O-CD 3.24Å; H34-R194 WeakPolarHBondContact O-CD 3.49Å; H34-R194 PolarHBondContact O-NE 3.46Å; H34-R194 PolarHBondContact O-NH1 2.83Å; H34-R194 PolarHBondContact O-NH2 3.35Å; D36-R194 PolarHBondContact N-O 3.33Å; D36-R194 IonicContact OD1-CZ 3.31Å; D36-R194 VanDerWaalsContact OD1-CZ 3.31Å; D36-R194 IonicContact OD1-NE 3.08Å; D36-R194 PolarHBondContact OD1-NE 3Å; D36-R194 VanDerWaalsContact OD1-NE 3.08Å; D36-R194 IonicContact OD1-NH2 2.7Å; D36-R194 PolarHBondContact OD1-NH2 3.34Å; D36-R194 PolarHBondContact OD2-N 2.98Å; D36-R194 IonicContact OD2-NE 3.7Å; A37-R194 PolarHBondContact N-O 3.11Å; R194-D212 WeakPolarHBondContact CA-OD2 3.43Å
195	L	98.7	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126	174.1	-174.5	150.3	0	0	0	109.6	A37 C183 L186 K187 Y192 A211 D212	A37-L195 HydrophobicContact CB-CD1 4.33Å; A37-L195 HydrophobicContact CB-CG 4.34Å; A37-L195 WeakPolarHBondContact O-CA 3.32Å; C183-L195 HydrophobicContact CB-CD2 4Å; L186-L195 HydrophobicContact CB-CD1 4Å; L186-L195 HydrophobicContact CD1-CD1 4.38Å; K187-L195 HydrophobicContact CD-CB 4.17Å; K187-L195 HydrophobicContact CG-CB 4.11Å; K187-L195 HydrophobicContact CG-CD1 3.99Å; Y192-L195 HydrophobicContact CD2-CD1 4.21Å; L195-A211 HydrophobicContact CD2-CB 3.57Å; L195-A211 CarbonylContact O-C 3.56Å; L195-D212 PolarHBondContact N-OD2 3.29Å; L195-D212 PolarHBondContact O-N 2.93Å
196	I	98.8	Very high	97.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.2	-179.8	-61	177.1	0	0	0	109.8	L31 W32 A35 A37 V38 C39 V198 A213 I215	L31-I196 HydrophobicContact CB-CD1 4.26Å; W32-I196 VanDerWaalsContact CA-CD1 3.46Å; W32-I196 HydrophobicContact CB-CD1 4.11Å; W32-I196 HydrophobicContact CE3-CD1 3.85Å; W32-I196 HydrophobicContact CE3-CG2 4.32Å; A35-I196 HydrophobicContact CB-CD1 3.94Å; A35-I196 HydrophobicContact CB-CG1 4.46Å; A37-I196 PolarHBondContact O-N 3.49Å; V38-I196 CarbonylContact C-O 3.48Å; V38-I196 WeakPolarHBondContact CA-O 3.46Å; C39-I196 PolarHBondContact N-O 3.3Å; I196-V198 HydrophobicContact CG2-CG2 4.24Å; I196-A213 WeakPolarHBondContact CA-O 3.37Å; I196-A213 HydrophobicContact CG1-CB 4.38Å; I196-I215 HydrophobicContact CG2-CD1 3.77Å; I196-I215 HydrophobicContact CG2-CG1 3.88Å
197	M	98.7	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.1	169.6	-173.5	65.4	-165.7	0	0	110.2	C39 D41 L129 K179 D204 A207 A211 A213 F214 I215	C39-M197 HydrophobicContact CB-SD 3.55Å; C39-M197 VanDerWaalsContact CB-SD 3.55Å; C39-M197 CarbonylContact O-C 3.58Å; C39-M197 WeakPolarHBondContact O-CA 3.48Å; D41-M197 HydrophobicContact CB-CE 4.44Å; L129-M197 HydrophobicContact CD2-SD 4.37Å; K179-M197 HydrophobicContact CD-CE 3.82Å; M197-D204 HydrophobicContact CE-CB 3.91Å; M197-D204 WeakPolarHBondContact CE-OD1 3.3Å; M197-D204 HydrophobicContact CG-CB 4.11Å; M197-A207 HydrophobicContact CB-CB 4.38Å; M197-A207 HydrophobicContact CG-CB 3.98Å; M197-A207 HydrophobicContact SD-CB 4.4Å; M197-A211 HydrophobicContact CB-CB 4.04Å; M197-A213 PolarHBondContact N-O 3.46Å; M197-F214 HydrophobicContact CB-CD2 4.24Å; M197-F214 HydrophobicContact CG-CD2 4.2Å; M197-F214 CarbonylContact O-C 3.07Å; M197-F214 WeakPolarHBondContact O-CA 3.41Å; M197-F214 WeakPolarHBondContact O-CD2 3.4Å; M197-I215 PolarHBondContact O-N 2.97Å
198	V	98.9	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.6	174.6	-171.7	0	0	0	0	109.2	W32 V38 C39 F40 D41 I196 I215 F217 F237 L240	W32-V198 HydrophobicContact CZ3-CG2 4.29Å; V38-V198 HydrophobicContact CG1-CG2 3.75Å; C39-V198 PolarHBondContact O-N 3.3Å; F40-V198 CarbonylContact C-O 3.36Å; F40-V198 WeakPolarHBondContact CA-O 3.42Å; F40-V198 HydrophobicContact CD1-CB 3.66Å; F40-V198 HydrophobicContact CD1-CG1 3.97Å; F40-V198 HydrophobicContact CD1-CG2 4.13Å; F40-V198 HydrophobicContact CE1-CB 3.84Å; F40-V198 HydrophobicContact CE1-CG1 3.99Å; F40-V198 HydrophobicContact CE1-CG2 3.86Å; F40-V198 HydrophobicContact CG-CB 4.45Å; F40-V198 HydrophobicContact CZ-CG2 4.38Å; D41-V198 PolarHBondContact N-O 3.07Å; I196-V198 HydrophobicContact CG2-CG2 4.24Å; V198-I215 WeakPolarHBondContact CA-O 3.23Å; V198-I215 HydrophobicContact CG1-CB 4.49Å; V198-I215 HydrophobicContact CG1-CG2 4.44Å; V198-I215 HydrophobicContact CG2-CB 4.21Å; V198-I215 HydrophobicContact CG2-CD1 4.49Å; V198-F217 HydrophobicContact CG1-CB 4.45Å; V198-F237 HydrophobicContact CG1-CE1 4.37Å; V198-L240 HydrophobicContact CG1-CD1 4.41Å
199	G	98.5	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	167.7	179.4	0	0	0	0	0	113.6	F214 I215 G216 F217	G199-F214 WeakPolarHBondContact O-CE2 3.39Å; G199-F214 WeakPolarHBondContact O-CZ 3.28Å; G199-I215 PolarHBondContact N-O 3.36Å; G199-G216 WeakPolarHBondContact O-CA 2.98Å; G199-F217 PolarHBondContact O-N 3.32Å
200	D	97.7	Very high	97.2	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.011	21%	0.207	C	C	.	.	S	Bend	trans	-95.5	-11.8	-177.9	73	-73.1	0	0	0	113.6	S44 T45 F217 R223 V226	S44-D200 WeakPolarHBondContact CB-OD1 3.37Å; T45-D200 PolarHBondContact OG1-N 2.85Å; T45-D200 PolarHBondContact OG1-OD1 2.86Å; T45-D200 VanDerWaalsContact OG1-OD1 3.06Å; D200-F217 VanDerWaalsContact CA-O 3.3Å; D200-F217 WeakPolarHBondContact CA-O 3.3Å; D200-F217 WeakPolarHBondContact CB-O 3.18Å; D200-R223 VanDerWaalsContact O-CD 3.24Å; D200-R223 WeakPolarHBondContact O-CD 3.26Å; D200-R223 IonicContact OD2-CZ 3.71Å; D200-R223 VanDerWaalsContact OD2-CZ 3.23Å; D200-R223 IonicContact OD2-NE 3.49Å; D200-R223 PolarHBondContact OD2-NE 3.35Å; D200-R223 IonicContact OD2-NH2 3.72Å; D200-R223 PolarHBondContact OD2-NH2 3.44Å; D200-V226 WeakPolarHBondContact O-CG2 3.32Å
201	G	94.5	Very high	97.2	Very high	9 Å²	9	33.2 Å²	33.2	9%	0.093	19%	0.187	C	C	.	.	S	Bend	trans	-103.9	170.7	-168.2	0	0	0	0	0	115.8	D204 A205	G201-D204 WeakPolarHBondContact CA-OD2 3.43Å; G201-D204 PolarHBondContact N-OD2 3.24Å; G201-D204 PolarHBondContact O-N 3.42Å; G201-A205 PolarHBondContact O-N 3.44Å
202	M	92.9	Very high	97.2	Very high	75 Å²	75	33.2 Å²	33.2	37%	0.369	18%	0.175	S	C	.	.	H	α-helix	trans	-72.8	-30.6	175.5	-170.4	57.4	57.1	0	0	112.1	D204 A205 C206 A225 V226 K229	M202-D204 PolarHBondContact O-N 2.96Å; M202-A205 PolarHBondContact O-N 3.4Å; M202-A205 HydrophobicContact SD-CB 4.11Å; M202-C206 VanDerWaalsContact O-CB 3.31Å; M202-C206 WeakPolarHBondContact O-CB 3.4Å; M202-C206 PolarHBondContact O-N 2.88Å; M202-C206 PolarHBondContact O-SG 2.93Å; M202-A225 HydrophobicContact CE-CB 3.74Å; M202-V226 HydrophobicContact CE-CG2 4.16Å; M202-K229 HydrophobicContact CE-CG 4.27Å; M202-K229 HydrophobicContact SD-CG 4.32Å
203	T	93.6	Very high	97.2	Very high	50 Å²	50	31.2 Å²	31.2	31%	0.307	17%	0.168	S	C	.	.	H	α-helix	trans	-65.6	-30.4	176.1	54.5	0	0	0	0	111.4	D176 A207	D176-T203 WeakPolarHBondContact O-CG2 3.42Å; T203-A207 PolarHBondContact O-N 3.04Å
204	D	97.1	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.5	-47.1	172.6	-47.5	-69.1	0	0	0	111.7	D41 K179 M197 G201 M202 C206 A207 F214	D41-D204 WeakPolarHBondContact CB-OD1 3.22Å; K179-D204 WeakPolarHBondContact CD-OD1 3.24Å; K179-D204 WeakPolarHBondContact CE-OD1 3.33Å; K179-D204 IonicContact NZ-OD1 3.68Å; K179-D204 PolarHBondContact NZ-OD1 2.95Å; K179-D204 IonicContact NZ-OD2 3.57Å; K179-D204 PolarHBondContact NZ-OD2 3.1Å; M197-D204 HydrophobicContact CE-CB 3.91Å; M197-D204 WeakPolarHBondContact CE-OD1 3.3Å; M197-D204 HydrophobicContact CG-CB 4.11Å; G201-D204 WeakPolarHBondContact CA-OD2 3.43Å; G201-D204 PolarHBondContact N-OD2 3.24Å; G201-D204 PolarHBondContact O-N 3.42Å; M202-D204 PolarHBondContact O-N 2.96Å; D204-C206 VanDerWaalsContact C-N 3.27Å; D204-C206 PolarHBondContact O-N 3.37Å; D204-A207 VanDerWaalsContact O-CB 3.27Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.42Å; D204-F214 HydrophobicContact CB-CD2 4.2Å; D204-F214 HydrophobicContact CB-CE2 3.5Å; D204-F214 HydrophobicContact CB-CZ 4.13Å
205	A	96.3	Very high	97.2	Very high	11 Å²	11	18.7 Å²	18.7	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-43.7	175.8	0	0	0	0	0	111.4	G201 M202 A207 S208 F214 K229	G201-A205 PolarHBondContact O-N 3.44Å; M202-A205 PolarHBondContact O-N 3.4Å; M202-A205 HydrophobicContact SD-CB 4.11Å; A205-A207 PolarHBondContact O-N 2.8Å; A205-S208 PolarHBondContact O-N 2.92Å; A205-F214 HydrophobicContact CB-CD1 3.74Å; A205-F214 HydrophobicContact CB-CE1 3.47Å; A205-F214 VanDerWaalsContact CB-CE1 3.47Å; A205-F214 HydrophobicContact CB-CG 4.45Å; A205-F214 HydrophobicContact CB-CZ 3.96Å; A205-K229 HydrophobicContact CB-CB 3.87Å
206	C	95.6	Very high	97.2	Very high	44 Å²	44	18.7 Å²	18.7	30%	0.297	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.3	176	-73.4	0	0	0	0	113.5	R180 M202 D204 S208	R180-C206 PolarHBondContact NE-O 3.27Å; R180-C206 VanDerWaalsContact NE-O 3.12Å; R180-C206 PolarHBondContact NH2-O 3.12Å; M202-C206 VanDerWaalsContact O-CB 3.31Å; M202-C206 WeakPolarHBondContact O-CB 3.4Å; M202-C206 PolarHBondContact O-N 2.88Å; M202-C206 PolarHBondContact O-SG 2.93Å; D204-C206 VanDerWaalsContact C-N 3.27Å; D204-C206 PolarHBondContact O-N 3.37Å; C206-S208 PolarHBondContact O-N 3.24Å
207	A	97.4	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.7	172.5	0	0	0	0	0	113.1	K179 M197 T203 D204 A205 P209 P210 A211	K179-A207 HydrophobicContact CB-CB 4.14Å; M197-A207 HydrophobicContact CB-CB 4.38Å; M197-A207 HydrophobicContact CG-CB 3.98Å; M197-A207 HydrophobicContact SD-CB 4.4Å; T203-A207 PolarHBondContact O-N 3.04Å; D204-A207 VanDerWaalsContact O-CB 3.27Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.42Å; A205-A207 PolarHBondContact O-N 2.8Å; A207-P209 CarbonylContact C-O 3.3Å; A207-P209 CarbonylContact O-C 3.6Å; A207-P210 WeakPolarHBondContact O-CD 3.43Å; A207-A211 VanDerWaalsContact O-CB 3.3Å; A207-A211 WeakPolarHBondContact O-CB 3.31Å; A207-A211 PolarHBondContact O-N 3.06Å
208	S	97	Very high	97.2	Very high	21 Å²	21	19 Å²	19	15%	0.147	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	113.6	171.8	-173.2	0	0	0	0	110.7	A205 C206 A211 H231	A205-S208 PolarHBondContact O-N 2.92Å; C206-S208 PolarHBondContact O-N 3.24Å; S208-A211 WeakPolarHBondContact CB-O 3.42Å; S208-A211 PolarHBondContact OG-O 3.32Å; S208-H231 PolarHBondContact OG-CE1 3.08Å
209	P	97.4	Very high	97.1	Very high	86 Å²	86	20.7 Å²	20.7	56%	0.558	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	cis	-68.2	160.2	-7.9	30.5	-36	0	0	0	112.1	R180 A207	R180-P209 VanDerWaalsContact CZ-O 3.28Å; R180-P209 PolarHBondContact NH1-O 3.42Å; A207-P209 CarbonylContact C-O 3.3Å; A207-P209 CarbonylContact O-C 3.6Å
210	P	97.5	Very high	97.1	Very high	37 Å²	37	23.2 Å²	23.2	24%	0.24	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.1	-8	14.1	35	-37.8	0	0	0	116.1	R180 C183 G184 K187 A207	R180-P210 WeakPolarHBondContact O-CG 3.41Å; C183-P210 HydrophobicContact CB-CG 3.91Å; G184-P210 VanDerWaalsContact CA-CG 3.49Å; G184-P210 VanDerWaalsContact N-CG 3.29Å; K187-P210 HydrophobicContact CD-CB 4.38Å; K187-P210 VanDerWaalsContact CD-O 3.25Å; K187-P210 WeakPolarHBondContact CD-O 3.49Å; K187-P210 PolarHBondContact NZ-O 3.4Å; A207-P210 WeakPolarHBondContact O-CD 3.43Å
211	A	98.4	Very high	97	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	17%	0.165	C	C	.	.	S	Bend	trans	-58.6	138.7	169.3	0	0	0	0	0	110	L195 M197 A207 S208 A213	L195-A211 HydrophobicContact CD2-CB 3.57Å; L195-A211 CarbonylContact O-C 3.56Å; M197-A211 HydrophobicContact CB-CB 4.04Å; A207-A211 VanDerWaalsContact O-CB 3.3Å; A207-A211 WeakPolarHBondContact O-CB 3.31Å; A207-A211 PolarHBondContact O-N 3.06Å; S208-A211 WeakPolarHBondContact CB-O 3.42Å; S208-A211 PolarHBondContact OG-O 3.32Å; A211-A213 VanDerWaalsContact C-N 3.27Å; A211-A213 PolarHBondContact O-N 2.83Å
212	D	98.2	Very high	97.1	Very high	51 Å²	51	29.7 Å²	29.7	27%	0.273	18%	0.183	S	C	.	.	S	Bend	trans	-74	-22.8	-176.1	-57.2	-71.8	0	0	0	112.2	L31 K187 K193 R194 L195	L31-D212 HydrophobicContact CD1-CB 4.46Å; K187-D212 IonicContact NZ-OD1 2.72Å; K187-D212 PolarHBondContact NZ-OD1 3.22Å; K187-D212 IonicContact NZ-OD2 2.74Å; K187-D212 PolarHBondContact NZ-OD2 3.35Å; K193-D212 VanDerWaalsContact O-CG 3.25Å; K193-D212 VanDerWaalsContact O-OD2 3.08Å; R194-D212 WeakPolarHBondContact CA-OD2 3.43Å; L195-D212 PolarHBondContact N-OD2 3.29Å; L195-D212 PolarHBondContact O-N 2.93Å
213	A	98.2	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.9	166.8	0	0	0	0	0	111	V28 L31 I196 M197 A211	V28-A213 HydrophobicContact CG1-CB 3.96Å; L31-A213 HydrophobicContact CD1-CB 4.09Å; I196-A213 WeakPolarHBondContact CA-O 3.37Å; I196-A213 HydrophobicContact CG1-CB 4.38Å; M197-A213 PolarHBondContact N-O 3.46Å; A211-A213 VanDerWaalsContact C-N 3.27Å; A211-A213 PolarHBondContact O-N 2.83Å
214	F	98.2	Very high	97.2	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.5	167.4	167.9	-120.5	0	0	0	109.3	M197 G199 D204 A205 V226 A230 H231	M197-F214 HydrophobicContact CB-CD2 4.24Å; M197-F214 HydrophobicContact CG-CD2 4.2Å; M197-F214 CarbonylContact O-C 3.07Å; M197-F214 WeakPolarHBondContact O-CA 3.41Å; M197-F214 WeakPolarHBondContact O-CD2 3.4Å; G199-F214 WeakPolarHBondContact O-CE2 3.39Å; G199-F214 WeakPolarHBondContact O-CZ 3.28Å; D204-F214 HydrophobicContact CB-CD2 4.2Å; D204-F214 HydrophobicContact CB-CE2 3.5Å; D204-F214 HydrophobicContact CB-CZ 4.13Å; A205-F214 HydrophobicContact CB-CD1 3.74Å; A205-F214 HydrophobicContact CB-CE1 3.47Å; A205-F214 VanDerWaalsContact CB-CE1 3.47Å; A205-F214 HydrophobicContact CB-CG 4.45Å; A205-F214 HydrophobicContact CB-CZ 3.96Å; F214-V226 HydrophobicContact CE1-CG1 3.7Å; F214-V226 HydrophobicContact CZ-CG1 3.58Å; F214-A230 HydrophobicContact CD1-CB 4.17Å; F214-A230 HydrophobicContact CE1-CB 3.98Å; F214-H231 PolarHBondContact N-ND1 3.04Å; F214-H231 PolarHBondContact O-N 2.94Å; F214-H231 PolarHBondContact O-ND1 2.94Å
215	I	98.6	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113	171.5	-59.9	178.6	0	0	0	107.9	V28 W32 I196 M197 V198 G199 W232 V234 L240	V28-I215 HydrophobicContact CG1-CG1 4.23Å; W32-I215 HydrophobicContact CD2-CD1 4.11Å; W32-I215 HydrophobicContact CE3-CD1 3.62Å; W32-I215 HydrophobicContact CZ3-CD1 4.16Å; I196-I215 HydrophobicContact CG2-CD1 3.77Å; I196-I215 HydrophobicContact CG2-CG1 3.88Å; M197-I215 PolarHBondContact O-N 2.97Å; V198-I215 WeakPolarHBondContact CA-O 3.23Å; V198-I215 HydrophobicContact CG1-CB 4.49Å; V198-I215 HydrophobicContact CG1-CG2 4.44Å; V198-I215 HydrophobicContact CG2-CB 4.21Å; V198-I215 HydrophobicContact CG2-CD1 4.49Å; G199-I215 PolarHBondContact N-O 3.36Å; I215-W232 CarbonylContact C-O 3.51Å; I215-W232 WeakPolarHBondContact CA-O 3.27Å; I215-W232 HydrophobicContact CD1-CE3 3.84Å; I215-W232 HydrophobicContact CD1-CZ3 4.19Å; I215-W232 HydrophobicContact CG1-CE3 4.29Å; I215-V234 HydrophobicContact CG2-CG2 4Å; I215-L240 HydrophobicContact CD1-CD2 4.12Å; I215-L240 HydrophobicContact CG2-CD1 4.49Å; I215-L240 HydrophobicContact CG2-CD2 4.04Å
216	G	98.4	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133	176	0	0	0	0	0	110.9	G199 W232 Y233 V234	G199-G216 WeakPolarHBondContact O-CA 2.98Å; G216-W232 PolarHBondContact N-O 3.02Å; G216-Y233 WeakPolarHBondContact O-CA 3.35Å; G216-V234 PolarHBondContact O-N 2.94Å
217	F	98.6	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.8	179.3	-175.1	-101.6	0	0	0	110.9	T45 T109 V198 G199 D200 N220 V234 F237	T45-F217 HydrophobicContact CG2-CB 4.4Å; T45-F217 HydrophobicContact CG2-CD1 4.27Å; T45-F217 HydrophobicContact CG2-CG 4.39Å; T109-F217 HydrophobicContact CG2-CE1 4.09Å; T109-F217 HydrophobicContact CG2-CZ 3.69Å; V198-F217 HydrophobicContact CG1-CB 4.45Å; G199-F217 PolarHBondContact O-N 3.32Å; D200-F217 VanDerWaalsContact CA-O 3.3Å; D200-F217 WeakPolarHBondContact CA-O 3.3Å; D200-F217 WeakPolarHBondContact CB-O 3.18Å; F217-N220 WeakPolarHBondContact CE1-ND2 3.25Å; F217-V234 HydrophobicContact CD2-CG2 3.94Å; F217-F237 HydrophobicContact CD2-CD1 4.22Å; F217-F237 AromaticContact CD2-CE1 3.85Å; F217-F237 HydrophobicContact CD2-CE1 3.85Å; F217-F237 HydrophobicContact CD2-CZ 4.1Å; F217-F237 HydrophobicContact CE1-CE2 4.47Å; F217-F237 HydrophobicContact CE1-CZ 4.43Å; F217-F237 AromaticContact CE2-CD1 3.93Å; F217-F237 HydrophobicContact CE2-CD1 3.93Å; F217-F237 HydrophobicContact CE2-CD2 4.1Å; F217-F237 AromaticContact CE2-CE1 3.84Å; F217-F237 HydrophobicContact CE2-CE1 3.84Å; F217-F237 HydrophobicContact CE2-CE2 4.01Å; F217-F237 HydrophobicContact CE2-CG 4.05Å; F217-F237 AromaticContact CE2-CZ 3.88Å; F217-F237 HydrophobicContact CE2-CZ 3.88Å; F217-F237 HydrophobicContact CG-CZ 4.48Å; F217-F237 HydrophobicContact CZ-CD2 4.18Å; F217-F237 HydrophobicContact CZ-CE1 4.48Å; F217-F237 AromaticContact CZ-CE2 3.9Å; F217-F237 HydrophobicContact CZ-CE2 3.9Å; F217-F237 HydrophobicContact CZ-CZ 4.06Å
218	G	97.9	Very high	96.7	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	25%	0.245	C	C	.	.			trans	-116.3	15	-179.2	0	0	0	0	0	114.6	V222 Y233 V234	G218-V222 WeakPolarHBondContact O-CG2 3.45Å; G218-Y233 VanDerWaalsContact CA-OH 3.23Å; G218-Y233 WeakPolarHBondContact CA-OH 3.41Å; G218-V234 PolarHBondContact N-O 2.88Å
219	G	97.9	Very high	96.6	Very high	36 Å²	36	44.7 Å²	44.7	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-76.6	-24.5	-171.7	0	0	0	0	0	115.2	Y235	G219-Y235 WeakPolarHBondContact CA-O 3.48Å
220	N	97.8	Very high	96.6	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-109.9	-45.2	175	-51.8	-54.2	0	0	0	111.7	S44 T45 C47 T109 F217	S44-N220 WeakPolarHBondContact O-CB 3.32Å; S44-N220 PolarHBondContact O-ND2 2.93Å; T45-N220 PolarHBondContact O-ND2 3.16Å; C47-N220 PolarHBondContact O-ND2 2.99Å; T109-N220 PolarHBondContact OG1-ND2 3.38Å; T109-N220 PolarHBondContact OG1-OD1 2.99Å; F217-N220 WeakPolarHBondContact CE1-ND2 3.25Å
221	Q	95.5	Very high	96.6	Very high	69 Å²	69	42 Å²	42	32%	0.322	24%	0.243	S	C	.	.			trans	-133.1	132.5	175.6	-61.9	-164.6	25.1	0	0	110.6	S44	S44-Q221 PolarHBondContact OG-NE2 3.43Å
222	V	96.4	Very high	96.6	Very high	79 Å²	79	42.4 Å²	42.4	48%	0.479	24%	0.244	S	C	.	.			trans	-100.2	120	175.7	178.6	0	0	0	0	109.5	G218 I227 Y235	G218-V222 WeakPolarHBondContact O-CG2 3.45Å; V222-I227 HydrophobicContact CG1-CD1 3.74Å; V222-Y235 HydrophobicContact CG2-CD1 4.39Å; V222-Y235 HydrophobicContact CG2-CE1 4.14Å
223	R	94.2	Very high	96.6	Very high	81 Å²	81	41.5 Å²	41.5	31%	0.306	24%	0.237	S	C	.	.			trans	-113.2	108.3	178.3	-56.2	-169.4	-164.2	-91.1	2.2	110.3	E50 D200 A225 V226 I227	E50-R223 IonicContact OE1-NH2 2.62Å; D200-R223 VanDerWaalsContact O-CD 3.24Å; D200-R223 WeakPolarHBondContact O-CD 3.26Å; D200-R223 IonicContact OD2-CZ 3.71Å; D200-R223 VanDerWaalsContact OD2-CZ 3.23Å; D200-R223 IonicContact OD2-NE 3.49Å; D200-R223 PolarHBondContact OD2-NE 3.35Å; D200-R223 IonicContact OD2-NH2 3.72Å; D200-R223 PolarHBondContact OD2-NH2 3.44Å; R223-A225 PolarHBondContact O-N 3.06Å; R223-A225 VanDerWaalsContact O-N 3.13Å; R223-V226 HydrophobicContact CB-CB 4.07Å; R223-V226 HydrophobicContact CB-CG2 3.78Å; R223-V226 WeakPolarHBondContact O-CB 3.44Å; R223-V226 PolarHBondContact O-N 3.47Å; R223-I227 PolarHBondContact O-N 3.45Å
224	P	94	Very high	96.6	Very high	106 Å²	106	41.5 Å²	41.5	69%	0.688	24%	0.237	S	C	*	.	H	α-helix	trans	-53.4	-38.2	-177	-30.2	36.1	0	0	0	114.5	V226 I227	P224-V226 PolarHBondContact O-N 3.5Å; P224-I227 PolarHBondContact O-N 2.91Å
225	A	92.5	Very high	96.6	Very high	58 Å²	58	47.9 Å²	47.9	48%	0.479	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-31.9	177.3	0	0	0	0	0	112.7	M202 R223 S228 K229	M202-A225 HydrophobicContact CE-CB 3.74Å; R223-A225 PolarHBondContact O-N 3.06Å; R223-A225 VanDerWaalsContact O-N 3.13Å; A225-S228 PolarHBondContact O-OG 2.97Å; A225-K229 WeakPolarHBondContact O-CG 3.38Å
226	V	94.5	Very high	96.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-81.3	-35.5	-177.3	-179.9	0	0	0	0	111.6	D200 M202 F214 R223 P224 S228 K229 A230 Y233	D200-V226 WeakPolarHBondContact O-CG2 3.32Å; M202-V226 HydrophobicContact CE-CG2 4.16Å; F214-V226 HydrophobicContact CE1-CG1 3.7Å; F214-V226 HydrophobicContact CZ-CG1 3.58Å; R223-V226 HydrophobicContact CB-CB 4.07Å; R223-V226 HydrophobicContact CB-CG2 3.78Å; R223-V226 WeakPolarHBondContact O-CB 3.44Å; R223-V226 PolarHBondContact O-N 3.47Å; P224-V226 PolarHBondContact O-N 3.5Å; V226-S228 PolarHBondContact O-N 2.87Å; V226-K229 PolarHBondContact O-N 2.93Å; V226-A230 PolarHBondContact O-N 3.46Å; V226-Y233 HydrophobicContact CG1-CE2 4.46Å
227	I	95.5	Very high	96.6	Very high	67 Å²	67	50.1 Å²	50.1	34%	0.344	28%	0.278	S	S	.	.	H	α-helix	trans	-52.1	-45.2	174.1	-66.2	167.3	0	0	0	110.7	V222 R223 P224 K229 A230 Y233	V222-I227 HydrophobicContact CG1-CD1 3.74Å; R223-I227 PolarHBondContact O-N 3.45Å; P224-I227 PolarHBondContact O-N 2.91Å; I227-K229 PolarHBondContact O-N 3.37Å; I227-A230 PolarHBondContact O-N 2.94Å; I227-Y233 HydrophobicContact CB-CD2 4.25Å; I227-Y233 HydrophobicContact CB-CE2 4.22Å; I227-Y233 HydrophobicContact CD1-CE1 4.42Å; I227-Y233 HydrophobicContact CG1-CD1 4.25Å; I227-Y233 HydrophobicContact CG1-CD2 3.82Å; I227-Y233 HydrophobicContact CG1-CE1 3.89Å; I227-Y233 HydrophobicContact CG1-CE2 3.42Å; I227-Y233 VanDerWaalsContact CG1-CE2 3.42Å; I227-Y233 HydrophobicContact CG1-CG 4.21Å; I227-Y233 VanDerWaalsContact CG1-CZ 3.44Å
228	S	93.4	Very high	96.6	Very high	77 Å²	77	54.4 Å²	54.4	54%	0.538	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.1	-179.1	75	0	0	0	0	114.9	A225 V226	A225-S228 PolarHBondContact O-OG 2.97Å; V226-S228 PolarHBondContact O-N 2.87Å
229	K	95.3	Very high	96.6	Very high	124 Å²	124	57.4 Å²	57.4	54%	0.539	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-18.6	-177.3	-61.4	-63.4	-176.5	178.8	0	113.2	M202 A205 A225 V226 I227	M202-K229 HydrophobicContact CE-CG 4.27Å; M202-K229 HydrophobicContact SD-CG 4.32Å; A205-K229 HydrophobicContact CB-CB 3.87Å; A225-K229 WeakPolarHBondContact O-CG 3.38Å; V226-K229 PolarHBondContact O-N 2.93Å; I227-K229 PolarHBondContact O-N 3.37Å
230	A	97.2	Very high	96.6	Very high	19 Å²	19	55.7 Å²	55.7	16%	0.157	29%	0.293	C	S	.	.			trans	-68.7	134.2	178.9	0	0	0	0	0	111.5	F214 V226 I227 W232 Y233	F214-A230 HydrophobicContact CD1-CB 4.17Å; F214-A230 HydrophobicContact CE1-CB 3.98Å; V226-A230 PolarHBondContact O-N 3.46Å; I227-A230 PolarHBondContact O-N 2.94Å; A230-W232 VanDerWaalsContact C-N 3.31Å; A230-Y233 HydrophobicContact CB-CD2 3.84Å; A230-Y233 HydrophobicContact CB-CG 4.47Å
231	H	97.5	Very high	96.7	Very high	47 Å²	47	53.5 Å²	53.5	22%	0.218	28%	0.281	C	S	.	.	S	Bend	trans	-75.7	-29.2	170.7	-56	90.1	0	0	0	110.7	V28 S208 F214	V28-H231 HydrophobicContact CG1-CB 4.41Å; V28-H231 HydrophobicContact CG2-CB 3.48Å; V28-H231 VanDerWaalsContact CG2-CB 3.48Å; S208-H231 PolarHBondContact OG-CE1 3.08Å; F214-H231 PolarHBondContact N-ND1 3.04Å; F214-H231 PolarHBondContact O-N 2.94Å; F214-H231 PolarHBondContact O-ND1 2.94Å
232	W	98	Very high	96.8	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.6	167.1	176.8	19	0	0	0	108	V25 V28 K29 W32 I215 G216 A230 V234 E239 L240 A243	V25-W232 HydrophobicContact CG1-CB 4.39Å; V25-W232 HydrophobicContact CG1-CD2 4.38Å; V25-W232 HydrophobicContact CG1-CG 3.94Å; V28-W232 HydrophobicContact CB-CB 4.2Å; V28-W232 HydrophobicContact CG1-CB 3.79Å; V28-W232 HydrophobicContact CG1-CE3 4.28Å; K29-W232 HydrophobicContact CD-CH2 4.47Å; K29-W232 HydrophobicContact CD-CZ2 4.49Å; K29-W232 VanDerWaalsContact CE-CZ2 3.44Å; K29-W232 HydrophobicContact CG-CD2 4.26Å; K29-W232 HydrophobicContact CG-CE3 3.91Å; K29-W232 HydrophobicContact CG-CH2 3.96Å; K29-W232 HydrophobicContact CG-CZ2 4.31Å; K29-W232 HydrophobicContact CG-CZ3 3.75Å; W32-W232 HydrophobicContact CB-CZ3 4.28Å; W32-W232 AromaticContact CD1-CZ3 3.98Å; W32-W232 HydrophobicContact CG-CZ3 4.04Å; I215-W232 CarbonylContact C-O 3.51Å; I215-W232 WeakPolarHBondContact CA-O 3.27Å; I215-W232 HydrophobicContact CD1-CE3 3.84Å; I215-W232 HydrophobicContact CD1-CZ3 4.19Å; I215-W232 HydrophobicContact CG1-CE3 4.29Å; G216-W232 PolarHBondContact N-O 3.02Å; A230-W232 VanDerWaalsContact C-N 3.31Å; W232-V234 HydrophobicContact CD2-CG1 4.13Å; W232-V234 VanDerWaalsContact CE2-CG1 3.43Å; W232-V234 HydrophobicContact CG-CG1 4.45Å; W232-V234 HydrophobicContact CZ2-CG1 3.65Å; W232-V234 VanDerWaalsContact NE1-CG1 3.33Å; W232-E239 HydrophobicContact CZ2-CB 4.43Å; W232-L240 HydrophobicContact CE3-CD2 4.05Å; W232-L240 HydrophobicContact CH2-CD2 3.37Å; W232-L240 HydrophobicContact CZ2-CD2 3.87Å; W232-L240 HydrophobicContact CZ3-CD2 3.47Å; W232-L240 VanDerWaalsContact CZ3-CD2 3.47Å; W232-A243 HydrophobicContact CH2-CB 3.58Å; W232-A243 HydrophobicContact CZ2-CB 4.49Å; W232-A243 HydrophobicContact CZ3-CB 4.27Å
233	Y	98.2	Very high	96.8	Very high	32 Å²	32	50.7 Å²	50.7	13%	0.125	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.4	177.1	-162.2	-88.8	0	0	0	110	G216 G218 V226 I227 A230 Y235	G216-Y233 WeakPolarHBondContact O-CA 3.35Å; G218-Y233 VanDerWaalsContact CA-OH 3.23Å; G218-Y233 WeakPolarHBondContact CA-OH 3.41Å; V226-Y233 HydrophobicContact CG1-CE2 4.46Å; I227-Y233 HydrophobicContact CB-CD2 4.25Å; I227-Y233 HydrophobicContact CB-CE2 4.22Å; I227-Y233 HydrophobicContact CD1-CE1 4.42Å; I227-Y233 HydrophobicContact CG1-CD1 4.25Å; I227-Y233 HydrophobicContact CG1-CD2 3.82Å; I227-Y233 HydrophobicContact CG1-CE1 3.89Å; I227-Y233 HydrophobicContact CG1-CE2 3.42Å; I227-Y233 VanDerWaalsContact CG1-CE2 3.42Å; I227-Y233 HydrophobicContact CG1-CG 4.21Å; I227-Y233 VanDerWaalsContact CG1-CZ 3.44Å; A230-Y233 HydrophobicContact CB-CD2 3.84Å; A230-Y233 HydrophobicContact CB-CG 4.47Å; Y233-Y235 HydrophobicContact CD1-CE1 4.31Å; Y233-Y235 HydrophobicContact CD1-CE2 4.03Å; Y233-Y235 AromaticContact CD1-CZ 3.93Å; Y233-Y235 HydrophobicContact CE1-CD1 4.18Å; Y233-Y235 AromaticContact CE1-CE1 3.73Å; Y233-Y235 HydrophobicContact CE1-CE1 3.73Å; Y233-Y235 HydrophobicContact CE1-CE2 4.28Å; Y233-Y235 AromaticContact CE1-CZ 3.79Å
234	V	98.5	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.8	179.6	-64	0	0	0	0	110.9	I215 G216 F217 G218 W232 E239 L240	I215-V234 HydrophobicContact CG2-CG2 4Å; G216-V234 PolarHBondContact O-N 2.94Å; F217-V234 HydrophobicContact CD2-CG2 3.94Å; G218-V234 PolarHBondContact N-O 2.88Å; W232-V234 HydrophobicContact CD2-CG1 4.13Å; W232-V234 VanDerWaalsContact CE2-CG1 3.43Å; W232-V234 HydrophobicContact CG-CG1 4.45Å; W232-V234 HydrophobicContact CZ2-CG1 3.65Å; W232-V234 VanDerWaalsContact NE1-CG1 3.33Å; V234-E239 HydrophobicContact CB-CB 4.19Å; V234-E239 HydrophobicContact CG1-CB 3.83Å; V234-L240 HydrophobicContact CG1-CD2 3.79Å; V234-L240 HydrophobicContact CG1-CG 4.48Å; V234-L240 HydrophobicContact CG2-CD2 4.18Å; V234-L240 HydrophobicContact CG2-CG 4.24Å
235	Y	98.2	Very high	96.9	Very high	136 Å²	136	45.1 Å²	45.1	53%	0.533	24%	0.237	S	C	.	.	S	Bend	trans	-105.1	-6.2	176.7	-63.4	-86.7	0	0	0	112.3	G219 V222 Y233 E239	G219-Y235 WeakPolarHBondContact CA-O 3.48Å; V222-Y235 HydrophobicContact CG2-CD1 4.39Å; V222-Y235 HydrophobicContact CG2-CE1 4.14Å; Y233-Y235 HydrophobicContact CD1-CE1 4.31Å; Y233-Y235 HydrophobicContact CD1-CE2 4.03Å; Y233-Y235 AromaticContact CD1-CZ 3.93Å; Y233-Y235 HydrophobicContact CE1-CD1 4.18Å; Y233-Y235 AromaticContact CE1-CE1 3.73Å; Y233-Y235 HydrophobicContact CE1-CE1 3.73Å; Y233-Y235 HydrophobicContact CE1-CE2 4.28Å; Y233-Y235 AromaticContact CE1-CZ 3.79Å; Y235-E239 PolarHBondContact N-OE1 3.5Å
236	S	98.5	Very high	96.6	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	25%	0.245	S	C	.	.			trans	-151.6	146.7	176.4	176.3	0	0	0	0	111.4	Q238 E239	S236-Q238 PolarHBondContact O-N 3.26Å; S236-Q238 VanDerWaalsContact O-N 3.17Å; S236-Q238 WeakPolarHBondContact OG-CB 3.48Å; S236-Q238 PolarHBondContact OG-N 3.08Å; S236-Q238 VanDerWaalsContact OG-N 3.08Å; S236-E239 PolarHBondContact N-OE1 3.28Å; S236-E239 PolarHBondContact O-N 2.89Å; S236-E239 VanDerWaalsContact O-N 3.13Å
237	F	98.8	Very high	95.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-18.5	169.7	-71.6	-52.3	0	0	0	112.7	F40 T45 T109 I112 L115 V198 F217 E239 L240 I241	F40-F237 HydrophobicContact CD1-CE1 4.43Å; F40-F237 HydrophobicContact CE1-CE1 4.1Å; T45-F237 HydrophobicContact CG2-CZ 4.08Å; T45-F237 VanDerWaalsContact O-CE2 3.26Å; T45-F237 WeakPolarHBondContact O-CE2 3.47Å; T45-F237 WeakPolarHBondContact O-CZ 3.48Å; T109-F237 HydrophobicContact CG2-CD2 3.8Å; T109-F237 HydrophobicContact CG2-CE2 3.6Å; I112-F237 HydrophobicContact CB-CD2 3.75Å; I112-F237 HydrophobicContact CB-CE2 3.71Å; I112-F237 HydrophobicContact CD1-CD1 4.36Å; I112-F237 HydrophobicContact CD1-CD2 4.15Å; I112-F237 HydrophobicContact CD1-CE1 4.02Å; I112-F237 HydrophobicContact CD1-CE2 3.78Å; I112-F237 HydrophobicContact CD1-CG 4.43Å; I112-F237 HydrophobicContact CD1-CZ 3.72Å; I112-F237 HydrophobicContact CG1-CD2 4.41Å; I112-F237 HydrophobicContact CG1-CE2 4.01Å; I112-F237 HydrophobicContact CG1-CZ 4.37Å; L115-F237 HydrophobicContact CD2-CB 4.22Å; L115-F237 HydrophobicContact CD2-CD1 3.47Å; L115-F237 VanDerWaalsContact CD2-CD1 3.47Å; L115-F237 HydrophobicContact CD2-CE1 4.1Å; L115-F237 HydrophobicContact CD2-CG 4.04Å; V198-F237 HydrophobicContact CG1-CE1 4.37Å; F217-F237 HydrophobicContact CD2-CD1 4.22Å; F217-F237 AromaticContact CD2-CE1 3.85Å; F217-F237 HydrophobicContact CD2-CE1 3.85Å; F217-F237 HydrophobicContact CD2-CZ 4.1Å; F217-F237 HydrophobicContact CE1-CE2 4.47Å; F217-F237 HydrophobicContact CE1-CZ 4.43Å; F217-F237 AromaticContact CE2-CD1 3.93Å; F217-F237 HydrophobicContact CE2-CD1 3.93Å; F217-F237 HydrophobicContact CE2-CD2 4.1Å; F217-F237 AromaticContact CE2-CE1 3.84Å; F217-F237 HydrophobicContact CE2-CE1 3.84Å; F217-F237 HydrophobicContact CE2-CE2 4.01Å; F217-F237 HydrophobicContact CE2-CG 4.05Å; F217-F237 AromaticContact CE2-CZ 3.88Å; F217-F237 HydrophobicContact CE2-CZ 3.88Å; F217-F237 HydrophobicContact CG-CZ 4.48Å; F217-F237 HydrophobicContact CZ-CD2 4.18Å; F217-F237 HydrophobicContact CZ-CE1 4.48Å; F217-F237 AromaticContact CZ-CE2 3.9Å; F217-F237 HydrophobicContact CZ-CE2 3.9Å; F217-F237 HydrophobicContact CZ-CZ 4.06Å; F237-E239 PolarHBondContact O-N 3.06Å; F237-L240 HydrophobicContact CD1-CD1 4.03Å; F237-L240 HydrophobicContact CE1-CD1 4.45Å; F237-L240 PolarHBondContact O-N 3.45Å; F237-L240 VanDerWaalsContact O-N 3.16Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 2.76Å
238	Q	98.6	Very high	94.7	Very high	90 Å²	90	48.5 Å²	48.5	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-36.6	172.8	-169.3	59.6	50.8	0	0	112	S236 L240 I241 D242	S236-Q238 PolarHBondContact O-N 3.26Å; S236-Q238 VanDerWaalsContact O-N 3.17Å; S236-Q238 WeakPolarHBondContact OG-CB 3.48Å; S236-Q238 PolarHBondContact OG-N 3.08Å; S236-Q238 VanDerWaalsContact OG-N 3.08Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 2.98Å; Q238-I241 WeakPolarHBondContact O-CB 3.45Å; Q238-I241 PolarHBondContact O-N 3.46Å; Q238-D242 PolarHBondContact NE2-OD1 3.4Å; Q238-D242 WeakPolarHBondContact O-CB 3.33Å; Q238-D242 PolarHBondContact O-N 3.01Å
239	E	98.4	Very high	93.6	Very high	70 Å²	70	50 Å²	50	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-34.5	178.4	-63.6	178.8	-108.1	0	0	112.3	W232 V234 Y235 S236 F237 A243	W232-E239 HydrophobicContact CZ2-CB 4.43Å; V234-E239 HydrophobicContact CB-CB 4.19Å; V234-E239 HydrophobicContact CG1-CB 3.83Å; Y235-E239 PolarHBondContact N-OE1 3.5Å; S236-E239 PolarHBondContact N-OE1 3.28Å; S236-E239 PolarHBondContact O-N 2.89Å; S236-E239 VanDerWaalsContact O-N 3.13Å; F237-E239 PolarHBondContact O-N 3.06Å; E239-A243 PolarHBondContact O-N 3.36Å
240	L	98.5	Very high	92	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72.9	-40.3	175.6	-59.1	-168.2	0	0	0	111.5	W32 L115 V198 I215 W232 V234 F237 Q238 A243 L244	W32-L240 HydrophobicContact CH2-CB 4.42Å; W32-L240 HydrophobicContact CH2-CD1 3.98Å; W32-L240 HydrophobicContact CZ2-CB 3.65Å; W32-L240 HydrophobicContact CZ2-CD1 4.04Å; W32-L240 HydrophobicContact CZ2-CG 4.3Å; W32-L240 PolarHBondContact NE1-O 3.46Å; L115-L240 HydrophobicContact CD1-CB 4.31Å; L115-L240 HydrophobicContact CD2-CB 4.19Å; L115-L240 HydrophobicContact CD2-CD1 3.94Å; V198-L240 HydrophobicContact CG1-CD1 4.41Å; I215-L240 HydrophobicContact CD1-CD2 4.12Å; I215-L240 HydrophobicContact CG2-CD1 4.49Å; I215-L240 HydrophobicContact CG2-CD2 4.04Å; W232-L240 HydrophobicContact CE3-CD2 4.05Å; W232-L240 HydrophobicContact CH2-CD2 3.37Å; W232-L240 HydrophobicContact CZ2-CD2 3.87Å; W232-L240 HydrophobicContact CZ3-CD2 3.47Å; W232-L240 VanDerWaalsContact CZ3-CD2 3.47Å; V234-L240 HydrophobicContact CG1-CD2 3.79Å; V234-L240 HydrophobicContact CG1-CG 4.48Å; V234-L240 HydrophobicContact CG2-CD2 4.18Å; V234-L240 HydrophobicContact CG2-CG 4.24Å; F237-L240 HydrophobicContact CD1-CD1 4.03Å; F237-L240 HydrophobicContact CE1-CD1 4.45Å; F237-L240 PolarHBondContact O-N 3.45Å; F237-L240 VanDerWaalsContact O-N 3.16Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 2.98Å; L240-A243 PolarHBondContact O-N 3.03Å; L240-L244 WeakPolarHBondContact O-CG 3.31Å; L240-L244 PolarHBondContact O-N 2.81Å; L240-L244 VanDerWaalsContact O-N 3.15Å
241	I	98.6	Very high	90	Very high	6 Å²	6	54 Å²	54	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-47.6	174.2	-72.2	164.2	0	0	0	110.5	T114 L115 M118 F237 Q238 A243 L244 N245	T114-I241 HydrophobicContact CG2-CD1 3.95Å; L115-I241 HydrophobicContact CB-CD1 4.2Å; L115-I241 HydrophobicContact CB-CG1 3.98Å; L115-I241 HydrophobicContact CD1-CG1 4.36Å; M118-I241 HydrophobicContact CE-CG2 4.24Å; M118-I241 HydrophobicContact SD-CB 4.33Å; M118-I241 HydrophobicContact SD-CG1 4.13Å; M118-I241 HydrophobicContact SD-CG2 3.74Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 2.76Å; Q238-I241 WeakPolarHBondContact O-CB 3.45Å; Q238-I241 PolarHBondContact O-N 3.46Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.28Å; I241-L244 WeakPolarHBondContact O-CB 3.42Å; I241-L244 PolarHBondContact O-N 3.22Å; I241-L244 VanDerWaalsContact O-N 3.12Å; I241-N245 PolarHBondContact O-N 3.17Å; I241-N245 PolarHBondContact O-ND2 2.68Å
242	D	97.8	Very high	87.6	Confident	78 Å²	78	57.6 Å²	57.6	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-40.8	-179.9	-67.7	-17.6	0	0	0	111.3	Q238 L244 N245 V246	Q238-D242 PolarHBondContact NE2-OD1 3.4Å; Q238-D242 WeakPolarHBondContact O-CB 3.33Å; Q238-D242 PolarHBondContact O-N 3.01Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.25Å; D242-N245 PolarHBondContact O-N 3.39Å; D242-V246 WeakPolarHBondContact O-CG2 3.38Å; D242-V246 PolarHBondContact O-N 3.07Å
243	A	96.8	Very high	85.4	Confident	11 Å²	11	67 Å²	67	9%	0.091	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-32.9	175.7	0	0	0	0	0	113.3	W232 E239 L240 I241	W232-A243 HydrophobicContact CH2-CB 3.58Å; W232-A243 HydrophobicContact CZ2-CB 4.49Å; W232-A243 HydrophobicContact CZ3-CB 4.27Å; E239-A243 PolarHBondContact O-N 3.36Å; L240-A243 PolarHBondContact O-N 3.03Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.28Å
244	L	96.4	Very high	82.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-66.9	-48.8	171.1	-67.5	178.7	0	0	0	110.2	W32 L115 M118 L119 R122 L240 I241 D242 V246 S247 D248	W32-L244 HydrophobicContact CZ2-CD1 4.16Å; W32-L244 HydrophobicContact CZ2-CD2 4.48Å; W32-L244 HydrophobicContact CZ2-CG 4.32Å; L115-L244 HydrophobicContact CD1-CD1 3.9Å; M118-L244 HydrophobicContact CB-CD1 4.07Å; M118-L244 HydrophobicContact CE-CB 3.67Å; M118-L244 HydrophobicContact CE-CD1 4.14Å; L119-L244 HydrophobicContact CD2-CD1 4.17Å; R122-L244 PolarHBondContact NH2-O 2.97Å; L240-L244 WeakPolarHBondContact O-CG 3.31Å; L240-L244 PolarHBondContact O-N 2.81Å; L240-L244 VanDerWaalsContact O-N 3.15Å; I241-L244 WeakPolarHBondContact O-CB 3.42Å; I241-L244 PolarHBondContact O-N 3.22Å; I241-L244 VanDerWaalsContact O-N 3.12Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.25Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.92Å; L244-S247 WeakPolarHBondContact O-CB 3.34Å; L244-S247 PolarHBondContact O-N 2.93Å; L244-S247 PolarHBondContact O-OG 3.34Å; L244-D248 PolarHBondContact O-N 3.39Å
245	N	92.9	Very high	82.2	Confident	70 Å²	70	76.3 Å²	76.3	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-60.3	-37.1	-177.6	-70.1	-33.8	0	0	0	114.1	M118 I241 D242 S247 D248 S249	M118-N245 WeakPolarHBondContact CE-OD1 3.42Å; I241-N245 PolarHBondContact O-N 3.17Å; I241-N245 PolarHBondContact O-ND2 2.68Å; D242-N245 PolarHBondContact O-N 3.39Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 2.98Å; N245-D248 PolarHBondContact O-N 3.08Å; N245-S249 PolarHBondContact O-N 3.14Å; N245-S249 PolarHBondContact O-OG 2.89Å
246	V	86.3	Confident	81.3	Confident	105 Å²	105	73.1 Å²	73.1	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-39.7	175.1	172.6	0	0	0	0	111.2	D242 L244 D248 S249 S250	D242-V246 WeakPolarHBondContact O-CG2 3.38Å; D242-V246 PolarHBondContact O-N 3.07Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.92Å; V246-D248 PolarHBondContact O-N 3.11Å; V246-S249 PolarHBondContact O-N 2.81Å; V246-S250 PolarHBondContact O-N 2.8Å
247	S	74.4	Confident	80.4	Confident	15 Å²	15	74.6 Å²	74.6	11%	0.105	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-36.2	177.3	69.2	0	0	0	0	112.9	S33 R122 L244 N245 S249 S250 M251	S33-S247 WeakPolarHBondContact OG-CB 3.48Å; R122-S247 PolarHBondContact NH1-OG 3.35Å; R122-S247 PolarHBondContact NH2-OG 3.38Å; L244-S247 WeakPolarHBondContact O-CB 3.34Å; L244-S247 PolarHBondContact O-N 2.93Å; L244-S247 PolarHBondContact O-OG 3.34Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 2.98Å; S247-S249 VanDerWaalsContact C-N 3.31Å; S247-S249 PolarHBondContact O-N 2.84Å; S247-S250 PolarHBondContact O-N 3.19Å; S247-S250 PolarHBondContact O-OG 3.06Å; S247-M251 PolarHBondContact O-N 2.75Å
248	D	75.8	Confident	79.3	Confident	79 Å²	79	78.9 Å²	78.9	42%	0.422	48%	0.479	S	S	.	.	H	α-helix	trans	-67.9	-33.1	178.2	-71.8	-22.2	0	0	0	112.4	R122 L244 N245 V246 S250 M251	R122-D248 IonicContact CZ-OD1 3.4Å; R122-D248 IonicContact CZ-OD2 3.73Å; R122-D248 IonicContact NH1-OD1 3.87Å; R122-D248 IonicContact NH2-OD1 2.72Å; R122-D248 PolarHBondContact NH2-OD1 3.39Å; R122-D248 IonicContact NH2-OD2 3.29Å; R122-D248 PolarHBondContact NH2-OD2 3.38Å; L244-D248 PolarHBondContact O-N 3.39Å; N245-D248 PolarHBondContact O-N 3.08Å; V246-D248 PolarHBondContact O-N 3.11Å; D248-S250 PolarHBondContact O-N 2.92Å; D248-M251 PolarHBondContact O-N 3.15Å
249	S	70.8	Confident	78.1	Confident	109 Å²	109	78.3 Å²	78.3	76%	0.762	48%	0.483	S	S	*	.	H	α-helix	trans	-72.7	-17.5	178.9	-58	0	0	0	0	112.7	N245 V246 S247	N245-S249 PolarHBondContact O-N 3.14Å; N245-S249 PolarHBondContact O-OG 2.89Å; V246-S249 PolarHBondContact O-N 2.81Å; S247-S249 VanDerWaalsContact C-N 3.31Å; S247-S249 PolarHBondContact O-N 2.84Å
250	S	62.9	Low	76.7	Confident	94 Å²	94	78.8 Å²	78.8	66%	0.657	49%	0.493	S	S	*	.	H	α-helix	trans	-93.7	-11.7	179	72.1	0	0	0	0	114.4	V246 S247 D248	V246-S250 PolarHBondContact O-N 2.8Å; S247-S250 PolarHBondContact O-N 3.19Å; S247-S250 PolarHBondContact O-OG 3.06Å; D248-S250 PolarHBondContact O-N 2.92Å
251	M	54.7	Low	75.2	Confident	132 Å²	132	84.4 Å²	84.4	65%	0.65	53%	0.528	S	S	*	.	S	Bend	trans	-76.4	129.7	176.9	-78.5	-110.4	-86.8	0	0	110.3	S247 D248 K253	S247-M251 PolarHBondContact O-N 2.75Å; D248-M251 PolarHBondContact O-N 3.15Å; M251-K253 PolarHBondContact O-N 3.36Å
252	P	47.7	Very low	73.4	Confident	122 Å²	122	90.5 Å²	90.5	79%	0.792	57%	0.567	S	S	*	*			trans	-59.6	128.8	172.8	22.9	-29.9	0	0	0	109.1	G254	P252-G254 PolarHBondContact O-N 2.99Å
253	K	51.1	Low	71.3	Confident	212 Å²	212	91.5 Å²	91.5	92%	0.922	58%	0.579	S	S	*	*			trans	-65	108.6	169	-68.2	-175.2	179.1	-178.7	0	107.1	M251	M251-K253 PolarHBondContact O-N 3.36Å
254	G	46.2	Very low	69	Low	149 Å²	149	98.8 Å²	98.8	100%	1.536	62%	0.623	S	S	*	*			trans	-63.8	0	169.8	0	0	0	0	0	111.9	P252	P252-G254 PolarHBondContact O-N 2.99Å

Retrieved 254 of 254 residues in 49.1 ms (Link to these results)

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