A0A096MKT2_PAPAN Loading...

Glucosaminyl (N-acetyl) transferase 4

AlphaFold DB (A0A2K5KVD8), UniProt , Accession A0A096MKT2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 453 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	41.2	Very low	45.7	Very low	236 Å²	236	166.2 Å²	166.2	100%	1.163	78%	0.779	S	S	*	*				0	109.1	0	-101.1	158.5	62.2	0	0	109.2
2	K	33.8	Very low	47.5	Very low	199 Å²	199	164.1 Å²	164.1	87%	0.865	78%	0.775	S	S	*	*			trans	-80.8	120.2	174.9	-74.6	178.5	176.7	177.3	0	108.6
3	I	41.3	Very low	49.1	Very low	152 Å²	152	163.8 Å²	163.8	78%	0.779	77%	0.773	S	S	*	*			trans	-87.9	108.7	172.2	-63.1	173.7	0	0	0	107.6	K5	I3-K5 PolarHBondContact O-N 3.38Å
4	F	37.6	Very low	50.5	Low	192 Å²	192	158 Å²	158	84%	0.842	75%	0.746	S	S	*	*			trans	-73.1	111	167.3	-94.7	-91.9	0	0	0	108.9
5	K	43.2	Very low	52	Low	179 Å²	179	156.8 Å²	156.8	78%	0.778	74%	0.737	S	S	*	*			trans	-87	105.6	161.7	-87	-177.2	173.8	178.7	0	108.3	I3 Y7	I3-K5 PolarHBondContact O-N 3.38Å; K5-Y7 PolarHBondContact O-N 3.2Å; K5-Y7 VanDerWaalsContact O-N 3.13Å
6	C	37.8	Very low	53.6	Low	115 Å²	115	151.3 Å²	151.3	78%	0.777	72%	0.717	S	S	*	*			trans	-64.7	106	167.1	-90.2	0	0	0	0	109.6	F8	C6-F8 PolarHBondContact O-N 2.99Å
7	Y	44.1	Very low	55.3	Low	214 Å²	214	150.5 Å²	150.5	84%	0.839	71%	0.71	S	S	*	*			trans	-82.9	103.4	165	-116	-92.2	0	0	0	108	K5 K9	K5-Y7 PolarHBondContact O-N 3.2Å; K5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-K9 PolarHBondContact O-N 3Å
8	F	50.1	Low	56.7	Low	175 Å²	175	147.4 Å²	147.4	77%	0.768	70%	0.697	S	S	*	*			trans	-67.9	96.7	165.6	-105.1	-89.3	0	0	0	108.1	C6 H10	C6-F8 PolarHBondContact O-N 2.99Å; F8-H10 PolarHBondContact O-N 3.33Å; F8-H10 VanDerWaalsContact O-N 3.07Å
9	K	52.1	Low	58.1	Low	184 Å²	184	145.1 Å²	145.1	80%	0.8	69%	0.689	S	S	*	*			trans	-70.2	96.6	166.3	-94.6	-177.3	174.8	178.2	0	107.7	Y7 T11	Y7-K9 PolarHBondContact O-N 3Å; K9-T11 PolarHBondContact O-N 3.08Å
10	H	56	Low	59.5	Low	108 Å²	108	144.9 Å²	144.9	50%	0.5	69%	0.686	S	S	.	*			trans	-64.3	116.5	165.1	-79.2	-61.6	0	0	0	108.9	F8 Q14	F8-H10 PolarHBondContact O-N 3.33Å; F8-H10 VanDerWaalsContact O-N 3.07Å; H10-Q14 VanDerWaalsContact CA-OE1 3.24Å; H10-Q14 HydrophobicContact CB-CB 4.41Å; H10-Q14 PolarHBondContact ND1-OE1 3.09Å
11	T	65.5	Low	60.8	Low	74 Å²	74	141.7 Å²	141.7	45%	0.454	67%	0.673	S	S	.	*			trans	-66.4	154.4	179.1	50.9	0	0	0	0	110.2	K9 Q13 Q14 K15	K9-T11 PolarHBondContact O-N 3.08Å; T11-Q13 PolarHBondContact O-N 3.18Å; T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 PolarHBondContact O-N 3.39Å; T11-K15 PolarHBondContact O-N 2.85Å
12	L	67.4	Low	62.7	Low	141 Å²	141	133.5 Å²	133.5	74%	0.738	64%	0.636	S	S	*	*	H	α-helix	trans	-50	-35	178.9	-173.6	67.9	0	0	0	112	Q14 K15 V16	L12-Q14 PolarHBondContact O-N 2.77Å; L12-K15 PolarHBondContact O-N 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.08Å; L12-V16 PolarHBondContact O-N 3.36Å
13	Q	68	Low	65.2	Low	160 Å²	160	128.6 Å²	128.6	75%	0.748	62%	0.619	S	S	*	*	H	α-helix	trans	-59.2	-40	173.8	-80	176	-33.5	0	0	113.9	T11 V16 F17	T11-Q13 PolarHBondContact O-N 3.18Å; Q13-V16 PolarHBondContact O-N 3.21Å; Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.15Å
14	Q	68.9	Low	67.3	Low	83 Å²	83	128.7 Å²	128.7	39%	0.388	61%	0.609	S	S	.	*	H	α-helix	trans	-69.9	-35.1	178	-76.7	174.2	-30.6	0	0	112	H10 T11 L12 F17 I18	H10-Q14 VanDerWaalsContact CA-OE1 3.24Å; H10-Q14 HydrophobicContact CB-CB 4.41Å; H10-Q14 PolarHBondContact ND1-OE1 3.09Å; T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 PolarHBondContact O-N 3.39Å; L12-Q14 PolarHBondContact O-N 2.77Å; Q14-F17 PolarHBondContact O-N 3.11Å; Q14-I18 VanDerWaalsContact O-CG1 3.26Å; Q14-I18 WeakPolarHBondContact O-CG1 3.43Å; Q14-I18 PolarHBondContact O-N 3.41Å
15	K	73	Confident	69.3	Low	140 Å²	140	123.5 Å²	123.5	61%	0.609	59%	0.59	S	S	*	*	H	α-helix	trans	-67	-41.4	174.1	-68	-172.9	177.6	-175.8	0	111.8	T11 L12 F17 I18 L19	T11-K15 PolarHBondContact O-N 2.85Å; L12-K15 PolarHBondContact O-N 3.23Å; K15-F17 VanDerWaalsContact C-N 3.35Å; K15-I18 PolarHBondContact O-N 3.12Å; K15-L19 PolarHBondContact O-N 3.38Å
16	V	78	Confident	70.9	Confident	69 Å²	69	120.2 Å²	120.2	42%	0.418	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-41.4	175.1	173.6	0	0	0	0	110.7	L12 Q13 L19 F20	L12-V16 WeakPolarHBondContact O-CG2 3.08Å; L12-V16 PolarHBondContact O-N 3.36Å; Q13-V16 PolarHBondContact O-N 3.21Å; V16-L19 WeakPolarHBondContact O-CB 3.43Å; V16-L19 PolarHBondContact O-N 3.08Å; V16-F20 HydrophobicContact CG1-CD2 3.79Å; V16-F20 HydrophobicContact CG1-CE2 3.99Å; V16-F20 WeakPolarHBondContact O-CD2 3.38Å; V16-F20 PolarHBondContact O-N 3.33Å
17	F	81.3	Confident	72.6	Confident	137 Å²	137	117.7 Å²	117.7	60%	0.601	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-43.3	176.4	-174.8	-98.3	0	0	0	112.5	Q13 Q14 K15 L19 F20 L21	Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.15Å; Q14-F17 PolarHBondContact O-N 3.11Å; K15-F17 VanDerWaalsContact C-N 3.35Å; F17-L19 VanDerWaalsContact C-N 3.33Å; F17-L19 PolarHBondContact O-N 2.97Å; F17-F20 PolarHBondContact O-N 3.24Å; F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.4Å; F17-L21 PolarHBondContact O-N 2.98Å
18	I	81.9	Confident	74.1	Confident	95 Å²	95	110.4 Å²	110.4	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-39.8	175.4	-67.5	165	0	0	0	110.9	Q14 K15 L21 T22	Q14-I18 VanDerWaalsContact O-CG1 3.26Å; Q14-I18 WeakPolarHBondContact O-CG1 3.43Å; Q14-I18 PolarHBondContact O-N 3.41Å; K15-I18 PolarHBondContact O-N 3.12Å; I18-L21 PolarHBondContact O-N 2.75Å; I18-T22 HydrophobicContact CG2-CG2 4.38Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 VanDerWaalsContact O-CG2 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.12Å; I18-T22 PolarHBondContact O-OG1 3.47Å
19	L	82.4	Confident	74.9	Confident	104 Å²	104	106.2 Å²	106.2	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-44.5	175.8	-164.8	87.3	0	0	0	111.5	K15 V16 F17 T22 L23	K15-L19 PolarHBondContact O-N 3.38Å; V16-L19 WeakPolarHBondContact O-CB 3.43Å; V16-L19 PolarHBondContact O-N 3.08Å; F17-L19 VanDerWaalsContact C-N 3.33Å; F17-L19 PolarHBondContact O-N 2.97Å; L19-T22 WeakPolarHBondContact CA-OG1 3.49Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 PolarHBondContact O-OG1 3.11Å; L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.21Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.04Å
20	F	86.3	Confident	75.5	Confident	141 Å²	141	105.8 Å²	105.8	62%	0.618	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-40.7	175.8	-95	-81.1	0	0	0	112.1	V16 F17 L23 W24	V16-F20 HydrophobicContact CG1-CD2 3.79Å; V16-F20 HydrophobicContact CG1-CE2 3.99Å; V16-F20 WeakPolarHBondContact O-CD2 3.38Å; V16-F20 PolarHBondContact O-N 3.33Å; F17-F20 PolarHBondContact O-N 3.24Å; F20-L23 PolarHBondContact O-N 3.36Å; F20-W24 WeakPolarHBondContact O-CB 3.18Å; F20-W24 PolarHBondContact O-N 3.31Å
21	L	86.8	Confident	75.8	Confident	78 Å²	78	107.1 Å²	107.1	41%	0.408	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-40.8	177.9	-169.9	73.2	0	0	0	111.6	F17 I18 W24 L25	F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.4Å; F17-L21 PolarHBondContact O-N 2.98Å; I18-L21 PolarHBondContact O-N 2.75Å; L21-W24 PolarHBondContact O-N 3.08Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å
22	T	82	Confident	75.5	Confident	64 Å²	64	108.7 Å²	108.7	39%	0.393	54%	0.538	S	S	.	.	H	α-helix	trans	-68.8	-42.5	176.8	48.8	0	0	0	0	112	I18 L19 W24 L25 L26	I18-T22 HydrophobicContact CG2-CG2 4.38Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 VanDerWaalsContact O-CG2 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.12Å; I18-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.49Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 PolarHBondContact O-OG1 3.11Å; T22-W24 VanDerWaalsContact C-N 3.34Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-L26 WeakPolarHBondContact O-CB 3.26Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3Å
23	L	85.6	Confident	74.8	Confident	96 Å²	96	106.7 Å²	106.7	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-39.5	172.8	-74.6	168.4	0	0	0	111.9	L19 F20 L26 S27	L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.21Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.04Å; F20-L23 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 3.05Å; L23-S27 WeakPolarHBondContact O-CB 3.5Å; L23-S27 PolarHBondContact O-N 2.98Å
24	W	84.8	Confident	74	Confident	154 Å²	154	102.9 Å²	102.9	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-44.6	176.1	-174.6	81	0	0	0	111.4	F20 L21 T22 L26 S27 L28	F20-W24 WeakPolarHBondContact O-CB 3.18Å; F20-W24 PolarHBondContact O-N 3.31Å; L21-W24 PolarHBondContact O-N 3.08Å; T22-W24 VanDerWaalsContact C-N 3.34Å; W24-L26 PolarHBondContact O-N 3.26Å; W24-S27 CarbonylContact O-C 3.56Å; W24-S27 PolarHBondContact O-N 2.69Å; W24-L28 HydrophobicContact CD2-CD1 4.35Å; W24-L28 HydrophobicContact CH2-CD1 3.82Å; W24-L28 HydrophobicContact CH2-CD2 4.34Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 HydrophobicContact CZ3-CD2 4.44Å; W24-L28 WeakPolarHBondContact O-CB 3.46Å; W24-L28 PolarHBondContact O-N 2.88Å
25	L	80.5	Confident	72.9	Confident	83 Å²	83	108.1 Å²	108.1	44%	0.435	53%	0.531	S	S	.	.	H	α-helix	trans	-60.3	-42.9	172.8	-89.9	155	0	0	0	112.3	L21 T22 S27 L28 L29	L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å; T22-L25 PolarHBondContact O-N 3.47Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 3.1Å
26	L	75.5	Confident	71.7	Confident	110 Å²	110	112.5 Å²	112.5	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-39.7	174.9	-77.2	165.7	0	0	0	111.6	T22 L23 W24 L29 K30	T22-L26 WeakPolarHBondContact O-CB 3.26Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3Å; L23-L26 PolarHBondContact O-N 3.05Å; W24-L26 PolarHBondContact O-N 3.26Å; L26-L29 WeakPolarHBondContact O-CB 3.31Å; L26-L29 PolarHBondContact O-N 3.12Å; L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.18Å
27	S	75.1	Confident	70.3	Confident	62 Å²	62	114.3 Å²	114.3	43%	0.434	55%	0.551	S	S	.	*	H	α-helix	trans	-70	-35.3	175.3	-159.2	0	0	0	0	111.8	L23 W24 L25 K30 L31	L23-S27 WeakPolarHBondContact O-CB 3.5Å; L23-S27 PolarHBondContact O-N 2.98Å; W24-S27 CarbonylContact O-C 3.56Å; W24-S27 PolarHBondContact O-N 2.69Å; L25-S27 VanDerWaalsContact C-N 3.34Å; S27-K30 WeakPolarHBondContact O-CB 3.08Å; S27-K30 PolarHBondContact O-N 3.48Å; S27-L31 WeakPolarHBondContact O-CB 3.23Å; S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.06Å; S27-L31 PolarHBondContact O-N 3.22Å
28	L	74.6	Confident	68.7	Low	60 Å²	60	115.3 Å²	115.3	31%	0.314	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-40.3	173.6	-143.2	92.5	0	0	0	110.9	W24 L25 K30 L31 L32	W24-L28 HydrophobicContact CD2-CD1 4.35Å; W24-L28 HydrophobicContact CH2-CD1 3.82Å; W24-L28 HydrophobicContact CH2-CD2 4.34Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 HydrophobicContact CZ3-CD2 4.44Å; W24-L28 WeakPolarHBondContact O-CB 3.46Å; W24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 3.15Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.46Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 3.18Å; L28-L32 HydrophobicContact CD2-CD1 4.36Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 3.23Å
29	L	68.1	Low	67.2	Low	87 Å²	87	115.9 Å²	115.9	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-35	170.6	-97.3	146.7	0	0	0	112.1	L25 L26	L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 3.1Å; L26-L29 WeakPolarHBondContact O-CB 3.31Å; L26-L29 PolarHBondContact O-N 3.12Å
30	K	64.8	Low	65.9	Low	176 Å²	176	117.5 Å²	117.5	77%	0.765	57%	0.57	S	S	*	*	H	α-helix	trans	-71	-38.1	173.5	-127.7	179.4	-179.3	-178	0	112.3	L26 S27 L28	L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.18Å; S27-K30 WeakPolarHBondContact O-CB 3.08Å; S27-K30 PolarHBondContact O-N 3.48Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.46Å
31	L	61.5	Low	64.8	Low	136 Å²	136	117.2 Å²	117.2	71%	0.712	57%	0.568	S	S	*	*	H	α-helix	trans	-74.6	-34	177.1	-80.8	159	0	0	0	112.5	S27 L28 N33	S27-L31 WeakPolarHBondContact O-CB 3.23Å; S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.06Å; S27-L31 PolarHBondContact O-N 3.22Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 3.18Å; L31-N33 PolarHBondContact O-N 3.48Å
32	L	60.2	Low	64.6	Low	107 Å²	107	118.8 Å²	118.8	56%	0.56	58%	0.577	S	S	*	*	S	Bend	trans	-72.8	65.9	166	-71.6	166.8	0	0	0	108.5	L28 V34	L28-L32 HydrophobicContact CD2-CD1 4.36Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 3.23Å; L32-V34 PolarHBondContact O-N 3.5Å
33	N	51.6	Low	64.8	Low	99 Å²	99	117.2 Å²	117.2	53%	0.529	57%	0.566	S	S	.	*			trans	-2.9	92.4	171.3	-155.4	1.8	0	0	0	112.7	L31 R35 R36	L31-N33 PolarHBondContact O-N 3.48Å; N33-R35 PolarHBondContact O-N 3.43Å; N33-R36 PolarHBondContact O-N 2.76Å
34	V	52	Low	64.9	Low	79 Å²	79	114.9 Å²	114.9	48%	0.479	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-52.2	-21	-176.1	178.9	0	0	0	0	112.1	L32 R36 L37 F38	L32-V34 PolarHBondContact O-N 3.5Å; V34-R36 VanDerWaalsContact C-N 3.26Å; V34-R36 PolarHBondContact O-N 2.62Å; V34-L37 PolarHBondContact O-N 3.33Å; V34-L37 VanDerWaalsContact O-N 3.16Å; V34-F38 HydrophobicContact CG1-CD2 4.26Å; V34-F38 PolarHBondContact O-N 2.93Å
35	R	45	Very low	65.1	Low	194 Å²	194	108.8 Å²	108.8	73%	0.732	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-55	-27.9	167.7	-87.2	-176.1	168.6	-177.1	-2.9	115.6	N33 F38	N33-R35 PolarHBondContact O-N 3.43Å; R35-F38 CarbonylContact O-C 3.59Å
36	R	47.3	Very low	65.5	Low	231 Å²	231	105.6 Å²	105.6	87%	0.872	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-81.9	-25.5	176.5	-95.8	-172.9	177.6	175.7	-0.2	113.1	N33 V34	N33-R36 PolarHBondContact O-N 2.76Å; V34-R36 VanDerWaalsContact C-N 3.26Å; V34-R36 PolarHBondContact O-N 2.62Å
37	L	48.5	Very low	66.1	Low	108 Å²	108	103.3 Å²	103.3	57%	0.565	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.4	179.1	-88.3	148.8	0	0	0	112.3	V34	V34-L37 PolarHBondContact O-N 3.33Å; V34-L37 VanDerWaalsContact O-N 3.16Å
38	F	47.6	Very low	66.3	Low	158 Å²	158	103 Å²	103	69%	0.693	49%	0.489	S	S	*	.	S	Bend	trans	-129.6	89.5	173.5	-62.8	-82.6	0	0	0	108.9	V34 R35 Q40	V34-F38 HydrophobicContact CG1-CD2 4.26Å; V34-F38 PolarHBondContact O-N 2.93Å; R35-F38 CarbonylContact O-C 3.59Å; F38-Q40 PolarHBondContact O-N 3.16Å; F38-Q40 VanDerWaalsContact O-N 3.14Å
39	P	51.3	Low	66.6	Low	106 Å²	106	104.6 Å²	104.6	69%	0.688	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-54.7	124.9	168.9	21.8	-29.8	0	0	0	107.9	K41	P39-K41 PolarHBondContact O-N 2.63Å; P39-K41 VanDerWaalsContact O-N 3.13Å
40	Q	55.3	Low	67.3	Low	139 Å²	139	101.7 Å²	101.7	65%	0.65	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-61.4	118.4	176.2	-166.1	168.5	5.5	0	0	106.7	F38 D42	F38-Q40 PolarHBondContact O-N 3.16Å; F38-Q40 VanDerWaalsContact O-N 3.14Å; Q40-D42 PolarHBondContact O-N 2.93Å
41	K	63.9	Low	68.2	Low	135 Å²	135	93.5 Å²	93.5	59%	0.587	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-57.6	135.5	173.6	-74.8	-175.4	173.1	-171.3	0	108.1	P39 R92 D94	P39-K41 PolarHBondContact O-N 2.63Å; P39-K41 VanDerWaalsContact O-N 3.13Å; K41-R92 WeakPolarHBondContact CD-O 3.44Å; K41-D94 HydrophobicContact CB-CB 4.3Å
42	D	81.6	Confident	69.2	Low	111 Å²	111	89.5 Å²	89.5	59%	0.594	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-55.8	151.9	166.6	-70.4	-33.8	0	0	0	109.1	Q40 R93 D94	Q40-D42 PolarHBondContact O-N 2.93Å; D42-R93 HydrophobicContact CB-CG 4.03Å; D42-R93 CarbonylContact O-C 3.6Å; D42-R93 VanDerWaalsContact O-CA 3.25Å; D42-R93 WeakPolarHBondContact O-CA 3.39Å; D42-R93 WeakPolarHBondContact O-CB 3.45Å; D42-D94 PolarHBondContact O-N 3.25Å
43	I	85.9	Confident	70.2	Confident	30 Å²	30	86.2 Å²	86.2	15%	0.154	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.6	-177.5	-57.8	-159.7	0	0	0	109.5	L45 F55 D94 I96	I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.18Å; I43-F55 HydrophobicContact CD1-CE1 4.45Å; I43-F55 HydrophobicContact CD1-CZ 4.11Å; I43-D94 CarbonylContact C-O 3.57Å; I43-D94 WeakPolarHBondContact CA-O 3.33Å; I43-D94 HydrophobicContact CG1-CB 4.38Å; I43-I96 HydrophobicContact CD1-CD1 3.88Å; I43-I96 HydrophobicContact CG2-CB 4.47Å; I43-I96 HydrophobicContact CG2-CD1 3.71Å; I43-I96 HydrophobicContact CG2-CG1 3.98Å
44	Y	88	Confident	71.5	Confident	48 Å²	48	86 Å²	86	19%	0.188	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.8	165.8	-175.1	-97.5	0	0	0	109	V46 I90 D94 I95 I96 P418 I419	Y44-V46 HydrophobicContact CD1-CG2 4.13Å; Y44-V46 HydrophobicContact CE1-CG2 4.08Å; Y44-I90 HydrophobicContact CD1-CG2 3.65Å; Y44-I90 HydrophobicContact CD2-CB 4.42Å; Y44-I90 HydrophobicContact CD2-CD1 4.26Å; Y44-I90 HydrophobicContact CD2-CG1 3.9Å; Y44-I90 HydrophobicContact CD2-CG2 3.79Å; Y44-I90 HydrophobicContact CE1-CG2 3.92Å; Y44-I90 HydrophobicContact CE2-CD1 3.7Å; Y44-I90 HydrophobicContact CE2-CG1 3.88Å; Y44-I90 HydrophobicContact CE2-CG2 4.06Å; Y44-I90 HydrophobicContact CG-CG2 3.58Å; Y44-D94 PolarHBondContact N-O 2.94Å; Y44-I95 HydrophobicContact CD1-CG2 4.49Å; Y44-I95 WeakPolarHBondContact O-CA 3.46Å; Y44-I96 PolarHBondContact O-N 3.23Å; Y44-P418 HydrophobicContact CD1-CG 4.18Å; Y44-P418 HydrophobicContact CE1-CG 3.86Å; Y44-I419 WeakPolarHBondContact OH-CD1 3.25Å
45	L	88.7	Confident	72.7	Confident	25 Å²	25	87.2 Å²	87.2	13%	0.131	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.9	-179.3	-56.7	172.5	0	0	0	109.5	I43 Y48 V56 I96	I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.18Å; L45-Y48 HydrophobicContact CB-CD1 4.42Å; L45-V56 HydrophobicContact CD1-CG1 4.05Å; L45-V56 HydrophobicContact CD2-CG1 4.26Å; L45-V56 HydrophobicContact CD2-CG2 4.32Å; L45-I96 WeakPolarHBondContact CA-O 3.44Å; L45-I96 HydrophobicContact CD2-CB 3.91Å; L45-I96 HydrophobicContact CD2-CD1 4.37Å; L45-I96 HydrophobicContact CD2-CG2 4.25Å
46	V	90.3	Very high	74.2	Confident	17 Å²	17	78.3 Å²	78.3	10%	0.103	39%	0.392	C	S	.	.	S	Bend	trans	-90.5	129.8	176.4	-171.1	0	0	0	0	109	Y44 Y48 I95 I96 D97 R148 P418	Y44-V46 HydrophobicContact CD1-CG2 4.13Å; Y44-V46 HydrophobicContact CE1-CG2 4.08Å; V46-Y48 PolarHBondContact O-N 2.99Å; V46-I95 HydrophobicContact CG2-CG2 3.72Å; V46-I96 PolarHBondContact N-O 3.27Å; V46-D97 HydrophobicContact CB-CB 4.1Å; V46-D97 WeakPolarHBondContact CB-OD1 3.37Å; V46-D97 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D97 HydrophobicContact CG2-CB 4.15Å; V46-R148 VanDerWaalsContact CG1-NH2 3.31Å; V46-P418 HydrophobicContact CG1-CB 4.16Å; V46-P418 HydrophobicContact CG2-CB 3.66Å; V46-P418 HydrophobicContact CG2-CG 3.94Å
47	E	86.1	Confident	75.5	Confident	62 Å²	62	74 Å²	74	29%	0.29	38%	0.376	S	S	.	.	S	Bend	trans	44.8	40.7	176.9	-64	-172.8	99.6	0	0	113.9	S49 L50 L98 R117 R148	E47-S49 PolarHBondContact O-N 3.45Å; E47-L50 HydrophobicContact CB-CD1 4.31Å; E47-L50 WeakPolarHBondContact O-CB 3.5Å; E47-L50 PolarHBondContact O-N 3.44Å; E47-L98 HydrophobicContact CB-CD1 4.12Å; E47-R117 IonicContact OE1-CZ 2.64Å; E47-R117 IonicContact OE1-NH1 3.68Å; E47-R117 PolarHBondContact OE1-NH1 3.11Å; E47-R117 IonicContact OE1-NH2 2.73Å; E47-R117 PolarHBondContact OE1-NH2 3.28Å; E47-R117 IonicContact OE2-NH2 2.9Å; E47-R148 IonicContact OE2-CZ 3.41Å; E47-R148 VanDerWaalsContact OE2-CZ 3.24Å; E47-R148 IonicContact OE2-NE 2.68Å; E47-R148 PolarHBondContact OE2-NE 2.77Å; E47-R148 IonicContact OE2-NH2 3.21Å; E47-R148 PolarHBondContact OE2-NH2 3.26Å
48	Y	80.6	Confident	76.5	Confident	55 Å²	55	74.2 Å²	74.2	22%	0.216	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-55.8	-25.6	-169.6	62.6	-100.2	0	0	0	114.3	L45 V46 L50 S51 Y60 E66	L45-Y48 HydrophobicContact CB-CD1 4.42Å; V46-Y48 PolarHBondContact O-N 2.99Å; Y48-L50 PolarHBondContact O-N 3.03Å; Y48-S51 WeakPolarHBondContact O-CB 3.37Å; Y48-S51 PolarHBondContact O-N 3.06Å; Y48-S51 VanDerWaalsContact O-N 3.1Å; Y48-Y60 AromaticContact CD2-CD2 3.45Å; Y48-Y60 HydrophobicContact CD2-CD2 3.45Å; Y48-Y60 VanDerWaalsContact CD2-CD2 3.45Å; Y48-Y60 AromaticContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CG 4.09Å; Y48-Y60 AromaticContact CE2-CD2 3.21Å; Y48-Y60 HydrophobicContact CE2-CD2 3.21Å; Y48-Y60 AromaticContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CG 4.15Å; Y48-Y60 AromaticContact CE2-CZ 3.7Å; Y48-Y60 HydrophobicContact CG-CD2 4.34Å; Y48-Y60 AromaticContact CZ-CD2 3.83Å; Y48-Y60 AromaticContact CZ-CE2 3.43Å; Y48-Y60 VanDerWaalsContact CZ-CE2 3.43Å; Y48-Y60 WeakPolarHBondContact OH-CE2 3.3Å; Y48-E66 WeakPolarHBondContact CE1-OE1 2.89Å; Y48-E66 VanDerWaalsContact OH-CD 3.3Å; Y48-E66 PolarHBondContact OH-OE1 3.04Å; Y48-E66 PolarHBondContact OH-OE2 2.06Å
49	S	80.1	Confident	77.5	Confident	93 Å²	93	70.6 Å²	70.6	65%	0.65	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.1	-21.2	178.6	54.6	0	0	0	0	112.5	E47	E47-S49 PolarHBondContact O-N 3.45Å
50	L	84.1	Confident	78	Confident	27 Å²	27	71 Å²	71	14%	0.141	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-96.8	-8	-179.9	-52.8	-175.6	0	0	0	112.9	E47 Y48 L98 M106 L116 R117	E47-L50 HydrophobicContact CB-CD1 4.31Å; E47-L50 WeakPolarHBondContact O-CB 3.5Å; E47-L50 PolarHBondContact O-N 3.44Å; Y48-L50 PolarHBondContact O-N 3.03Å; L50-L98 HydrophobicContact CB-CD1 3.81Å; L50-L98 HydrophobicContact CB-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.25Å; L50-M106 HydrophobicContact CD1-CE 3.89Å; L50-L116 HydrophobicContact CD2-CD1 4.47Å; L50-L116 HydrophobicContact CD2-CD2 3.59Å; L50-L116 HydrophobicContact CD2-CG 4.44Å; L50-R117 VanDerWaalsContact CD1-NH1 3.34Å
51	S	83.7	Confident	77.9	Confident	4 Å²	4	69 Å²	69	3%	0.028	35%	0.346	C	S	.	.			trans	-74.1	137.6	-177.8	-169.7	0	0	0	0	111.7	Y48 S53 R57 D102	Y48-S51 WeakPolarHBondContact O-CB 3.37Å; Y48-S51 PolarHBondContact O-N 3.06Å; Y48-S51 VanDerWaalsContact O-N 3.1Å; S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.49Å; S51-R57 PolarHBondContact O-NE 2.87Å; S51-R57 PolarHBondContact O-NH2 3.32Å; S51-D102 PolarHBondContact OG-OD2 3.21Å
52	T	82.5	Confident	77.4	Confident	52 Å²	52	69.9 Å²	69.9	32%	0.319	35%	0.352	S	S	.	.			trans	-87.9	-15	170.5	66.7	0	0	0	0	112.6	P54 D102 A105	T52-P54 WeakPolarHBondContact O-CD 3.28Å; T52-D102 WeakPolarHBondContact CA-OD1 3.15Å; T52-D102 VanDerWaalsContact CB-OD1 3.29Å; T52-D102 WeakPolarHBondContact CB-OD1 3.41Å; T52-D102 PolarHBondContact N-OD1 3.28Å; T52-D102 PolarHBondContact OG1-OD1 2.92Å; T52-A105 HydrophobicContact CG2-CB 3.34Å
53	S	80.9	Confident	76.2	Confident	38 Å²	38	67.5 Å²	67.5	27%	0.266	34%	0.341	S	S	.	.			trans	-60.1	120.8	-177.5	175.7	0	0	0	0	111.5	S51 F55 V56 R57	S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.49Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 PolarHBondContact OG-N 2.64Å; S53-V56 PolarHBondContact O-N 3.47Å; S53-V56 VanDerWaalsContact O-N 3.11Å; S53-V56 PolarHBondContact OG-N 3.45Å; S53-R57 WeakPolarHBondContact O-CG 3.41Å; S53-R57 PolarHBondContact O-N 3.44Å
54	P	77.5	Confident	74.5	Confident	93 Å²	93	76 Å²	76	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-59.1	-31.9	174.4	-24.4	34.2	0	0	0	112	T52 N58	T52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-N58 WeakPolarHBondContact O-CB 3.23Å; P54-N58 PolarHBondContact O-N 3.04Å; P54-N58 PolarHBondContact O-ND2 2.87Å; P54-N58 VanDerWaalsContact O-ND2 3.12Å
55	F	78.9	Confident	72.8	Confident	105 Å²	105	78.5 Å²	78.5	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-47.3	175.3	169.5	-94.6	0	0	0	111.6	I43 S53 R59 I96	I43-F55 HydrophobicContact CD1-CE1 4.45Å; I43-F55 HydrophobicContact CD1-CZ 4.11Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 PolarHBondContact OG-N 2.64Å; F55-R59 WeakPolarHBondContact O-CB 3.19Å; F55-R59 PolarHBondContact O-N 3.07Å; F55-I96 HydrophobicContact CE1-CD1 3.76Å
56	V	76.2	Confident	71.1	Confident	7 Å²	7	81.2 Å²	81.2	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-64	-47.6	177.9	177.4	0	0	0	0	110.1	L45 S53 N58 R59 Y60 I96	L45-V56 HydrophobicContact CD1-CG1 4.05Å; L45-V56 HydrophobicContact CD2-CG1 4.26Å; L45-V56 HydrophobicContact CD2-CG2 4.32Å; S53-V56 PolarHBondContact O-N 3.47Å; S53-V56 VanDerWaalsContact O-N 3.11Å; S53-V56 PolarHBondContact OG-N 3.45Å; V56-N58 PolarHBondContact O-N 2.73Å; V56-R59 PolarHBondContact O-N 2.92Å; V56-Y60 WeakPolarHBondContact O-CB 3.48Å; V56-Y60 PolarHBondContact O-N 2.84Å; V56-I96 HydrophobicContact CG2-CG2 4.3Å
57	R	74.7	Confident	69.4	Low	141 Å²	141	86.5 Å²	86.5	53%	0.532	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-39	179.1	-69.6	-177.9	177.7	-170.4	-1.1	113.9	S51 S53 Y60	S51-R57 PolarHBondContact O-NE 2.87Å; S51-R57 PolarHBondContact O-NH2 3.32Å; S53-R57 WeakPolarHBondContact O-CG 3.41Å; S53-R57 PolarHBondContact O-N 3.44Å; R57-Y60 WeakPolarHBondContact O-CB 3.29Å
58	N	69.4	Low	68	Low	113 Å²	113	91.5 Å²	91.5	60%	0.604	45%	0.454	S	S	*	.	H	α-helix	trans	-75.5	-27.5	178.2	-70.5	-21.5	0	0	0	112.7	P54 V56 T61	P54-N58 WeakPolarHBondContact O-CB 3.23Å; P54-N58 PolarHBondContact O-N 3.04Å; P54-N58 PolarHBondContact O-ND2 2.87Å; P54-N58 VanDerWaalsContact O-ND2 3.12Å; V56-N58 PolarHBondContact O-N 2.73Å; N58-T61 PolarHBondContact O-OG1 3.18Å; N58-T61 VanDerWaalsContact O-OG1 3.05Å
59	R	67.8	Low	67.3	Low	82 Å²	82	90.8 Å²	90.8	31%	0.309	45%	0.451	S	S	.	.	H	α-helix	trans	-79.5	-30	176.6	-155.4	177.5	-164.1	135.3	-5.7	111.6	F55 V56 T61 H62 V63	F55-R59 WeakPolarHBondContact O-CB 3.19Å; F55-R59 PolarHBondContact O-N 3.07Å; V56-R59 PolarHBondContact O-N 2.92Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.01Å; R59-H62 PolarHBondContact O-N 3.32Å; R59-H62 VanDerWaalsContact O-N 3.14Å; R59-V63 WeakPolarHBondContact O-CG2 3.26Å
60	Y	61.1	Low	67.4	Low	113 Å²	113	93 Å²	93	44%	0.443	45%	0.451	S	S	.	.	H	α-helix	trans	-53.6	-40.8	176.2	170.4	-117.5	0	0	0	113.4	Y48 V56 R57 H62 V63	Y48-Y60 AromaticContact CD2-CD2 3.45Å; Y48-Y60 HydrophobicContact CD2-CD2 3.45Å; Y48-Y60 VanDerWaalsContact CD2-CD2 3.45Å; Y48-Y60 AromaticContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CG 4.09Å; Y48-Y60 AromaticContact CE2-CD2 3.21Å; Y48-Y60 HydrophobicContact CE2-CD2 3.21Å; Y48-Y60 AromaticContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CG 4.15Å; Y48-Y60 AromaticContact CE2-CZ 3.7Å; Y48-Y60 HydrophobicContact CG-CD2 4.34Å; Y48-Y60 AromaticContact CZ-CD2 3.83Å; Y48-Y60 AromaticContact CZ-CE2 3.43Å; Y48-Y60 VanDerWaalsContact CZ-CE2 3.43Å; Y48-Y60 WeakPolarHBondContact OH-CE2 3.3Å; V56-Y60 WeakPolarHBondContact O-CB 3.48Å; V56-Y60 PolarHBondContact O-N 2.84Å; R57-Y60 WeakPolarHBondContact O-CB 3.29Å; Y60-H62 PolarHBondContact O-N 3.17Å; Y60-V63 PolarHBondContact O-N 2.94Å
61	T	53.7	Low	67.8	Low	98 Å²	98	92.1 Å²	92.1	60%	0.601	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-8.3	-179.2	56.3	0	0	0	0	114.2	N58 R59	N58-T61 PolarHBondContact O-OG1 3.18Å; N58-T61 VanDerWaalsContact O-OG1 3.05Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.01Å
62	H	53.3	Low	68.4	Low	154 Å²	154	95.8 Å²	95.8	71%	0.713	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-0.4	-179.1	-65.1	-68.3	0	0	0	114.7	R59 Y60 K64	R59-H62 PolarHBondContact O-N 3.32Å; R59-H62 VanDerWaalsContact O-N 3.14Å; Y60-H62 PolarHBondContact O-N 3.17Å; H62-K64 VanDerWaalsContact C-N 3.32Å; H62-K64 PolarHBondContact O-N 3.43Å
63	V	56.7	Low	69.1	Low	61 Å²	61	93.4 Å²	93.4	37%	0.37	45%	0.451	S	S	.	.			trans	-83.2	75.7	178	-167.9	0	0	0	0	109.6	R59 Y60 D65 E66	R59-V63 WeakPolarHBondContact O-CG2 3.26Å; Y60-V63 PolarHBondContact O-N 2.94Å; V63-D65 VanDerWaalsContact C-N 3.26Å; V63-D65 PolarHBondContact O-N 3.38Å; V63-E66 HydrophobicContact CG1-CG 3.84Å
64	K	51	Low	69.9	Low	209 Å²	209	94 Å²	94	91%	0.909	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	5.5	178	-87.3	-173	175	-176.6	0	114.9	H62	H62-K64 VanDerWaalsContact C-N 3.32Å; H62-K64 PolarHBondContact O-N 3.43Å
65	D	51.2	Low	70.8	Confident	100 Å²	100	89.5 Å²	89.5	54%	0.535	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	19.8	-171.6	-114.6	-7.8	0	0	0	114	V63 V67 R68	V63-D65 VanDerWaalsContact C-N 3.26Å; V63-D65 PolarHBondContact O-N 3.38Å; D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.05Å; D65-R68 PolarHBondContact O-N 2.83Å
66	E	53.2	Low	71.7	Confident	82 Å²	82	84.6 Å²	84.6	38%	0.383	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-62.9	-29.9	-173.5	-74.7	-171.4	160.4	0	0	114.6	Y48 V63 R68 E70	Y48-E66 WeakPolarHBondContact CE1-OE1 2.89Å; Y48-E66 VanDerWaalsContact OH-CD 3.3Å; Y48-E66 PolarHBondContact OH-OE1 3.04Å; Y48-E66 PolarHBondContact OH-OE2 2.06Å; V63-E66 HydrophobicContact CG1-CG 3.84Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.09Å; E66-E70 PolarHBondContact O-N 3.43Å
67	V	54.5	Low	72.8	Confident	127 Å²	127	86.3 Å²	86.3	77%	0.77	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-68.9	-27.1	-179.5	-173.8	0	0	0	0	112	D65 Y69	D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.05Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.84Å
68	R	57	Low	73.9	Confident	167 Å²	167	84.7 Å²	84.7	63%	0.63	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-74	-23.1	-174.4	-168.6	174.2	178.7	-174.5	-1.4	113.3	D65 E66	D65-R68 PolarHBondContact O-N 2.83Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.09Å
69	Y	65	Low	75.1	Confident	40 Å²	40	83.3 Å²	83.3	16%	0.157	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-119.1	13.6	-176	-61.1	-74.1	0	0	0	113.2	V67 V71 E89 R93	V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.84Å; Y69-V71 PolarHBondContact O-N 3.27Å; Y69-E89 HydrophobicContact CE1-CG 3.92Å; Y69-R93 PolarHBondContact OH-NH2 2.68Å
70	E	83.9	Confident	76.6	Confident	140 Å²	140	83.5 Å²	83.5	65%	0.654	40%	0.404	S	S	*	.			trans	-62.2	120	166	-168.9	173.7	-169.5	0	0	108.6	E66 K86	E66-E70 PolarHBondContact O-N 3.43Å; E70-K86 PolarHBondContact O-NZ 3.13Å
71	V	92.2	Very high	78.3	Confident	9 Å²	9	83.7 Å²	83.7	6%	0.055	42%	0.419	C	S	.	.			trans	-98	125.4	-178.9	179.8	0	0	0	0	109.5	Y69 C73 I76 E83 K86 T87 I90 I419	Y69-V71 PolarHBondContact O-N 3.27Å; V71-C73 PolarHBondContact O-N 3.36Å; V71-I76 HydrophobicContact CG1-CD1 3.69Å; V71-I76 HydrophobicContact CG1-CG1 3.51Å; V71-E83 WeakPolarHBondContact CA-OE2 3.33Å; V71-K86 HydrophobicContact CG2-CB 4.07Å; V71-K86 HydrophobicContact CG2-CD 4.42Å; V71-T87 HydrophobicContact CG1-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 4.49Å; V71-I90 HydrophobicContact CG2-CD1 3.94Å; V71-I419 HydrophobicContact CB-CD1 4.39Å; V71-I419 HydrophobicContact CB-CG2 4.08Å; V71-I419 HydrophobicContact CG1-CG2 3.68Å; V71-I419 HydrophobicContact CG2-CD1 4.01Å; V71-I419 HydrophobicContact CG2-CG1 4.28Å; V71-I419 HydrophobicContact CG2-CG2 4.27Å
72	N	95.4	Very high	80.2	Confident	80 Å²	80	84.8 Å²	84.8	43%	0.428	42%	0.42	S	S	.	.			trans	-84	108.1	173	178.5	0.7	0	0	0	109.9	S74 G75 I76 E83	N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 2.78Å; N72-S74 WeakPolarHBondContact OD1-CB 3.41Å; N72-S74 PolarHBondContact OD1-N 3.49Å; N72-G75 WeakPolarHBondContact O-CA 3.28Å; N72-G75 PolarHBondContact O-N 2.85Å; N72-I76 PolarHBondContact O-N 2.86Å; N72-E83 HydrophobicContact CB-CG 4.24Å; N72-E83 PolarHBondContact N-OE2 3.14Å
73	C	97.5	Very high	82.3	Confident	2 Å²	2	78 Å²	78	1%	0.014	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-25.3	-178.4	-68.1	0	0	0	0	114.1	V71 I76 Y77 C423 E426	V71-C73 PolarHBondContact O-N 3.36Å; C73-I76 PolarHBondContact O-N 3.35Å; C73-Y77 WeakPolarHBondContact O-CB 3.28Å; C73-Y77 PolarHBondContact O-N 3.5Å; C73-C423 WeakPolarHBondContact CA-SG 3.38Å; C73-C423 HydrophobicContact CB-CB 3.45Å; C73-C423 VanDerWaalsContact CB-CB 3.45Å; C73-C423 WeakPolarHBondContact CB-SG 3.38Å; C73-C423 WeakPolarHBondContact SG-CA 3.42Å; C73-C423 WeakPolarHBondContact SG-CB 3.27Å; C73-C423 CovalentContact SG-SG 2.03Å; C73-C423 PolarHBondContact SG-SG 3.33Å; C73-E426 VanDerWaalsContact CB-OE2 3.25Å; C73-E426 WeakPolarHBondContact CB-OE2 3.5Å; C73-E426 PolarHBondContact SG-OE2 2.96Å
74	S	97.4	Very high	84.2	Confident	50 Å²	50	76.4 Å²	76.4	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-67	-40.9	169.2	-63.4	0	0	0	0	111.5	N72 I76 Y77 E78 K427	N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 2.78Å; N72-S74 WeakPolarHBondContact OD1-CB 3.41Å; N72-S74 PolarHBondContact OD1-N 3.49Å; S74-I76 PolarHBondContact O-N 3.17Å; S74-Y77 PolarHBondContact O-N 3.31Å; S74-E78 PolarHBondContact O-N 2.8Å; S74-K427 PolarHBondContact OG-NZ 3.37Å
75	G	97.6	Very high	86.3	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-35.8	175	0	0	0	0	0	112.6	N72 E78 Q79 E80	N72-G75 WeakPolarHBondContact O-CA 3.28Å; N72-G75 PolarHBondContact O-N 2.85Å; G75-E78 CarbonylContact O-C 3.54Å; G75-E78 PolarHBondContact O-N 3.11Å; G75-Q79 PolarHBondContact O-N 3.42Å; G75-E80 WeakPolarHBondContact O-CB 3.17Å; G75-E80 PolarHBondContact O-N 2.72Å
76	I	98	Very high	88.3	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-46.4	170.5	-59.2	-63.5	0	0	0	111.1	V71 N72 C73 S74 E78 Q79 E83 I84 T87 A395 L398	V71-I76 HydrophobicContact CG1-CD1 3.69Å; V71-I76 HydrophobicContact CG1-CG1 3.51Å; N72-I76 PolarHBondContact O-N 2.86Å; C73-I76 PolarHBondContact O-N 3.35Å; S74-I76 PolarHBondContact O-N 3.17Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.27Å; I76-Q79 PolarHBondContact O-N 3.2Å; I76-E83 HydrophobicContact CD1-CB 3.55Å; I76-E83 WeakPolarHBondContact CD1-O 3.25Å; I76-E83 HydrophobicContact CG1-CB 4.14Å; I76-I84 HydrophobicContact CD1-CD1 3.88Å; I76-I84 HydrophobicContact CG2-CD1 4.13Å; I76-T87 HydrophobicContact CD1-CG2 3.46Å; I76-T87 VanDerWaalsContact CD1-CG2 3.46Å; I76-T87 HydrophobicContact CG1-CG2 4.47Å; I76-A395 HydrophobicContact CG2-CB 4.15Å; I76-A395 WeakPolarHBondContact CG2-O 3.21Å; I76-L398 HydrophobicContact CB-CD2 4.07Å; I76-L398 HydrophobicContact CG2-CB 3.95Å; I76-L398 HydrophobicContact CG2-CD2 3.66Å; I76-L398 HydrophobicContact CG2-CG 4.47Å
77	Y	97.8	Very high	90.3	Very high	44 Å²	44	61.5 Å²	61.5	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-41.2	177.3	-178.5	-92.8	0	0	0	111.3	C73 S74 Q79 L398 R399 I402 K403 K427	C73-Y77 WeakPolarHBondContact O-CB 3.28Å; C73-Y77 PolarHBondContact O-N 3.5Å; S74-Y77 PolarHBondContact O-N 3.31Å; Y77-Q79 PolarHBondContact O-N 3.14Å; Y77-L398 HydrophobicContact CD2-CG 4.47Å; Y77-R399 HydrophobicContact CD2-CB 4.08Å; Y77-R399 HydrophobicContact CD2-CG 4.38Å; Y77-R399 HydrophobicContact CE2-CB 4.2Å; Y77-R399 HydrophobicContact CE2-CG 4.06Å; Y77-R399 VanDerWaalsContact O-CB 3.27Å; Y77-R399 WeakPolarHBondContact O-CB 3.44Å; Y77-R399 WeakPolarHBondContact O-CD 3.39Å; Y77-I402 HydrophobicContact CD2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CB 4.37Å; Y77-I402 HydrophobicContact CE2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CG2 4.31Å; Y77-K403 VanDerWaalsContact OH-CE 3.27Å; Y77-K403 WeakPolarHBondContact OH-CE 3.41Å; Y77-K427 HydrophobicContact CD2-CD 4.31Å; Y77-K427 HydrophobicContact CG-CD 4.3Å
78	E	97.7	Very high	92.2	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	0.5	175.5	-64.5	-52.3	150.5	0	0	114.4	S74 G75 I76 E80 R399	S74-E78 PolarHBondContact O-N 2.8Å; G75-E78 CarbonylContact O-C 3.54Å; G75-E78 PolarHBondContact O-N 3.11Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.27Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 HydrophobicContact CB-CG 4.41Å; E78-R399 IonicContact OE2-NH1 3.07Å; E78-R399 PolarHBondContact OE2-NH1 3Å
79	Q	96.1	Very high	93.9	Very high	84 Å²	84	55.1 Å²	55.1	39%	0.393	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	38.1	-178.7	-58.9	-174.9	-32.9	0	0	113	G75 I76 Y77 P81	G75-Q79 PolarHBondContact O-N 3.42Å; I76-Q79 PolarHBondContact O-N 3.2Å; Y77-Q79 PolarHBondContact O-N 3.14Å; Q79-P81 WeakPolarHBondContact O-CD 3.2Å
80	E	97.6	Very high	95.1	Very high	86 Å²	86	53.2 Å²	53.2	40%	0.402	28%	0.28	S	S	.	.			trans	-63.2	122.5	174.8	-69.1	-177.4	-173.2	0	0	110.8	G75 E78 L82 E83 I84	G75-E80 WeakPolarHBondContact O-CB 3.17Å; G75-E80 PolarHBondContact O-N 2.72Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 HydrophobicContact CB-CG 4.41Å; E80-L82 PolarHBondContact O-N 2.94Å; E80-L82 VanDerWaalsContact O-N 3.11Å; E80-E83 HydrophobicContact CB-CB 4.44Å; E80-E83 HydrophobicContact CB-CG 4.35Å; E80-E83 PolarHBondContact O-N 3.35Å; E80-E83 VanDerWaalsContact O-N 3.13Å; E80-I84 WeakPolarHBondContact O-CG1 3.28Å; E80-I84 PolarHBondContact O-N 3.43Å
81	P	96.5	Very high	95.5	Very high	117 Å²	117	49.4 Å²	49.4	76%	0.76	26%	0.26	S	S	*	.	H	α-helix	trans	-57.1	-32.6	-174.9	-29	35.6	0	0	0	114.5	Q79 G85	Q79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-G85 PolarHBondContact O-N 3.4Å
82	L	95.2	Very high	95.5	Very high	121 Å²	121	57.4 Å²	57.4	63%	0.634	29%	0.289	S	S	*	.	H	α-helix	trans	-65.1	-49.7	177.8	178.6	62.9	0	0	0	111.5	E80 G85 K86	E80-L82 PolarHBondContact O-N 2.94Å; E80-L82 VanDerWaalsContact O-N 3.11Å; L82-G85 PolarHBondContact O-N 2.89Å; L82-K86 WeakPolarHBondContact O-CG 3.31Å; L82-K86 PolarHBondContact O-N 3.08Å
83	E	96.3	Very high	95.3	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-43.1	-178.8	-63.9	-55.2	132.7	0	0	110.7	V71 N72 I76 E80 G85 K86 T87	V71-E83 WeakPolarHBondContact CA-OE2 3.33Å; N72-E83 HydrophobicContact CB-CG 4.24Å; N72-E83 PolarHBondContact N-OE2 3.14Å; I76-E83 HydrophobicContact CD1-CB 3.55Å; I76-E83 WeakPolarHBondContact CD1-O 3.25Å; I76-E83 HydrophobicContact CG1-CB 4.14Å; E80-E83 HydrophobicContact CB-CB 4.44Å; E80-E83 HydrophobicContact CB-CG 4.35Å; E80-E83 PolarHBondContact O-N 3.35Å; E80-E83 VanDerWaalsContact O-N 3.13Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.42Å; E83-K86 WeakPolarHBondContact O-CB 3.38Å; E83-K86 PolarHBondContact O-N 3.5Å; E83-K86 VanDerWaalsContact O-N 3.17Å; E83-K86 WeakPolarHBondContact OE1-CE 3.39Å; E83-K86 IonicContact OE1-NZ 2.68Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 3.27Å; E83-K86 PolarHBondContact OE2-NZ 3.22Å; E83-T87 WeakPolarHBondContact O-CG2 3.04Å; E83-T87 PolarHBondContact O-N 3.32Å
84	I	96.4	Very high	94.9	Very high	28 Å²	28	59.4 Å²	59.4	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-44	172	-60.5	-57.6	0	0	0	110.8	I76 E80 K86 T87 L88 A396	I76-I84 HydrophobicContact CD1-CD1 3.88Å; I76-I84 HydrophobicContact CG2-CD1 4.13Å; E80-I84 WeakPolarHBondContact O-CG1 3.28Å; E80-I84 PolarHBondContact O-N 3.43Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.31Å; I84-T87 PolarHBondContact O-N 3.32Å; I84-T87 VanDerWaalsContact O-N 3.14Å; I84-T87 PolarHBondContact O-OG1 3.34Å; I84-L88 HydrophobicContact CG2-CD1 4.36Å; I84-L88 PolarHBondContact O-N 2.96Å; I84-L88 VanDerWaalsContact O-N 3.11Å; I84-A396 HydrophobicContact CD1-CB 4Å; I84-A396 HydrophobicContact CG2-CB 4.23Å
85	G	95.2	Very high	94.7	Very high	33 Å²	33	57.9 Å²	57.9	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-42.4	175.8	0	0	0	0	0	113.3	P81 L82 E83 T87 L88 E89	P81-G85 PolarHBondContact O-N 3.4Å; L82-G85 PolarHBondContact O-N 2.89Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.42Å; G85-T87 VanDerWaalsContact C-N 3.33Å; G85-T87 PolarHBondContact O-N 3.39Å; G85-L88 PolarHBondContact O-N 2.97Å; G85-E89 PolarHBondContact O-N 3.45Å
86	K	94.4	Very high	94.4	Very high	43 Å²	43	59.9 Å²	59.9	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-43	174.4	-69.1	173.6	-179.8	172.4	0	111.7	E70 V71 L82 E83 I84 L88 E89 I90	E70-K86 PolarHBondContact O-NZ 3.13Å; V71-K86 HydrophobicContact CG2-CB 4.07Å; V71-K86 HydrophobicContact CG2-CD 4.42Å; L82-K86 WeakPolarHBondContact O-CG 3.31Å; L82-K86 PolarHBondContact O-N 3.08Å; E83-K86 WeakPolarHBondContact O-CB 3.38Å; E83-K86 PolarHBondContact O-N 3.5Å; E83-K86 VanDerWaalsContact O-N 3.17Å; E83-K86 WeakPolarHBondContact OE1-CE 3.39Å; E83-K86 IonicContact OE1-NZ 2.68Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 3.27Å; E83-K86 PolarHBondContact OE2-NZ 3.22Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.31Å; K86-L88 PolarHBondContact O-N 3.07Å; K86-E89 WeakPolarHBondContact O-CB 3.4Å; K86-E89 PolarHBondContact O-N 3.14Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 3.22Å
87	T	94.5	Very high	94.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-40.2	178.1	73.5	0	0	0	0	112.3	V71 I76 E83 I84 G85 E89 I90 R91 A395 I419	V71-T87 HydrophobicContact CG1-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 4.49Å; I76-T87 HydrophobicContact CD1-CG2 3.46Å; I76-T87 VanDerWaalsContact CD1-CG2 3.46Å; I76-T87 HydrophobicContact CG1-CG2 4.47Å; E83-T87 WeakPolarHBondContact O-CG2 3.04Å; E83-T87 PolarHBondContact O-N 3.32Å; I84-T87 PolarHBondContact O-N 3.32Å; I84-T87 VanDerWaalsContact O-N 3.14Å; I84-T87 PolarHBondContact O-OG1 3.34Å; G85-T87 VanDerWaalsContact C-N 3.33Å; G85-T87 PolarHBondContact O-N 3.39Å; T87-E89 VanDerWaalsContact C-N 3.32Å; T87-E89 PolarHBondContact O-N 2.95Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-R91 WeakPolarHBondContact O-CG 3.29Å; T87-R91 PolarHBondContact O-N 2.96Å; T87-A395 HydrophobicContact CG2-CB 3.76Å; T87-I419 HydrophobicContact CG2-CB 4.08Å; T87-I419 HydrophobicContact CG2-CG1 4.29Å; T87-I419 HydrophobicContact CG2-CG2 3.67Å
88	L	93.8	Very high	94.1	Very high	79 Å²	79	58.9 Å²	58.9	41%	0.414	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-36.6	176.8	-66.7	173.2	0	0	0	112	I84 G85 K86 R91 R92	I84-L88 HydrophobicContact CG2-CD1 4.36Å; I84-L88 PolarHBondContact O-N 2.96Å; I84-L88 VanDerWaalsContact O-N 3.11Å; G85-L88 PolarHBondContact O-N 2.97Å; K86-L88 PolarHBondContact O-N 3.07Å; L88-R91 PolarHBondContact O-N 3.04Å; L88-R92 WeakPolarHBondContact O-CG 3.31Å; L88-R92 PolarHBondContact O-N 3.37Å
89	E	92.6	Very high	94	Very high	81 Å²	81	60.5 Å²	60.5	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-45.8	174	-168	83.7	167.6	0	0	111.2	Y69 G85 K86 T87 R91 R92	Y69-E89 HydrophobicContact CE1-CG 3.92Å; G85-E89 PolarHBondContact O-N 3.45Å; K86-E89 WeakPolarHBondContact O-CB 3.4Å; K86-E89 PolarHBondContact O-N 3.14Å; T87-E89 VanDerWaalsContact C-N 3.32Å; T87-E89 PolarHBondContact O-N 2.95Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.93Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE2-NH1 3.71Å
90	I	91.9	Very high	94.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-43.4	176.8	-71	166.7	0	0	0	110.7	Y44 V71 K86 T87 R92 R93 I419	Y44-I90 HydrophobicContact CD1-CG2 3.65Å; Y44-I90 HydrophobicContact CD2-CB 4.42Å; Y44-I90 HydrophobicContact CD2-CD1 4.26Å; Y44-I90 HydrophobicContact CD2-CG1 3.9Å; Y44-I90 HydrophobicContact CD2-CG2 3.79Å; Y44-I90 HydrophobicContact CE1-CG2 3.92Å; Y44-I90 HydrophobicContact CE2-CD1 3.7Å; Y44-I90 HydrophobicContact CE2-CG1 3.88Å; Y44-I90 HydrophobicContact CE2-CG2 4.06Å; Y44-I90 HydrophobicContact CG-CG2 3.58Å; V71-I90 HydrophobicContact CG2-CD1 3.94Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 3.22Å; T87-I90 PolarHBondContact O-N 3.46Å; I90-R92 PolarHBondContact O-N 3.2Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.49Å; I90-I419 HydrophobicContact CD1-CD1 3.93Å; I90-I419 HydrophobicContact CD1-CG1 3.97Å
91	R	92.2	Very high	94	Very high	61 Å²	61	58 Å²	58	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-15.9	-179.3	-69.7	169.2	58.6	-164.4	-5.7	114.9	T87 L88 E89 R93 T383 G384 V416 D417	T87-R91 WeakPolarHBondContact O-CG 3.29Å; T87-R91 PolarHBondContact O-N 2.96Å; L88-R91 PolarHBondContact O-N 3.04Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.93Å; R91-R93 VanDerWaalsContact C-N 3.3Å; R91-T383 PolarHBondContact NH1-O 3.43Å; R91-T383 PolarHBondContact NH2-O 3.2Å; R91-G384 PolarHBondContact NH2-O 3.12Å; R91-V416 WeakPolarHBondContact CG-O 3.48Å; R91-D417 WeakPolarHBondContact CD-OD2 3.48Å
92	R	91.4	Very high	94	Very high	176 Å²	176	52.6 Å²	52.6	66%	0.664	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.3	173.5	-71	170.7	176.4	177.9	-1.6	112.4	K41 L88 E89 I90	K41-R92 WeakPolarHBondContact CD-O 3.44Å; L88-R92 WeakPolarHBondContact O-CG 3.31Å; L88-R92 PolarHBondContact O-N 3.37Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE2-NH1 3.71Å; I90-R92 PolarHBondContact O-N 3.2Å
93	R	90.7	Very high	94.1	Very high	42 Å²	42	46.9 Å²	46.9	16%	0.158	23%	0.227	C	C	.	.	S	Bend	trans	-79	170.8	179.8	-62.2	-171	178.7	-174	-0.2	112	D42 Y69 I90 R91	D42-R93 HydrophobicContact CB-CG 4.03Å; D42-R93 CarbonylContact O-C 3.6Å; D42-R93 VanDerWaalsContact O-CA 3.25Å; D42-R93 WeakPolarHBondContact O-CA 3.39Å; D42-R93 WeakPolarHBondContact O-CB 3.45Å; Y69-R93 PolarHBondContact OH-NH2 2.68Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.49Å; R91-R93 VanDerWaalsContact C-N 3.3Å
94	D	90.6	Very high	94.2	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.5	164.9	-168.1	25.2	0	0	0	108.6	K41 D42 I43 Y44	K41-D94 HydrophobicContact CB-CB 4.3Å; D42-D94 PolarHBondContact O-N 3.25Å; I43-D94 CarbonylContact C-O 3.57Å; I43-D94 WeakPolarHBondContact CA-O 3.33Å; I43-D94 HydrophobicContact CG1-CB 4.38Å; Y44-D94 PolarHBondContact N-O 2.94Å
95	I	92.3	Very high	94.2	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.4	-177.7	-63.5	161.4	0	0	0	108.4	Y44 V46 S414 P418	Y44-I95 HydrophobicContact CD1-CG2 4.49Å; Y44-I95 WeakPolarHBondContact O-CA 3.46Å; V46-I95 HydrophobicContact CG2-CG2 3.72Å; I95-S414 WeakPolarHBondContact CG2-O 3.36Å; I95-P418 HydrophobicContact CD1-CG 4.44Å; I95-P418 HydrophobicContact CG2-CG 4.16Å
96	I	92.2	Very high	94.2	Very high	42 Å²	42	47.9 Å²	47.9	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120	175	-58.7	-179.2	0	0	0	107.7	I43 Y44 L45 V46 F55 V56	I43-I96 HydrophobicContact CD1-CD1 3.88Å; I43-I96 HydrophobicContact CG2-CB 4.47Å; I43-I96 HydrophobicContact CG2-CD1 3.71Å; I43-I96 HydrophobicContact CG2-CG1 3.98Å; Y44-I96 PolarHBondContact O-N 3.23Å; L45-I96 WeakPolarHBondContact CA-O 3.44Å; L45-I96 HydrophobicContact CD2-CB 3.91Å; L45-I96 HydrophobicContact CD2-CD1 4.37Å; L45-I96 HydrophobicContact CD2-CG2 4.25Å; V46-I96 PolarHBondContact N-O 3.27Å; F55-I96 HydrophobicContact CE1-CD1 3.76Å; V56-I96 HydrophobicContact CG2-CG2 4.3Å
97	D	94.3	Very high	94.3	Very high	15 Å²	15	46 Å²	46	8%	0.08	22%	0.223	C	C	.	.			trans	-112.6	174.4	176.7	-163.1	4.2	0	0	0	110	V46 R148 S414	V46-D97 HydrophobicContact CB-CB 4.1Å; V46-D97 WeakPolarHBondContact CB-OD1 3.37Å; V46-D97 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D97 HydrophobicContact CG2-CB 4.15Å; D97-R148 IonicContact OD1-CZ 2.81Å; D97-R148 IonicContact OD1-NH1 2.71Å; D97-R148 IonicContact OD1-NH2 3.58Å; D97-R148 PolarHBondContact OD1-NH2 2.84Å; D97-R148 IonicContact OD2-CZ 3.48Å; D97-R148 IonicContact OD2-NH1 3.34Å; D97-R148 PolarHBondContact OD2-NH1 3.46Å; D97-R148 IonicContact OD2-NH2 3.47Å; D97-R148 PolarHBondContact OD2-NH2 2.04Å; D97-S414 WeakPolarHBondContact OD2-CB 3.5Å; D97-S414 PolarHBondContact OD2-OG 2.83Å
98	L	94.9	Very high	94.3	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	25%	0.253	C	S	.	.			trans	-62.9	138.3	177.3	-57.7	175.6	0	0	0	111.1	E47 L50 D102 I144	E47-L98 HydrophobicContact CB-CD1 4.12Å; L50-L98 HydrophobicContact CB-CD1 3.81Å; L50-L98 HydrophobicContact CB-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.25Å; L98-D102 WeakPolarHBondContact CA-OD2 3.33Å; L98-D102 HydrophobicContact CB-CB 3.93Å; L98-D102 HydrophobicContact CD2-CB 4.08Å; L98-I144 HydrophobicContact CB-CB 4.13Å; L98-I144 HydrophobicContact CB-CD1 4.26Å; L98-I144 HydrophobicContact CB-CG1 3.96Å; L98-I144 HydrophobicContact CB-CG2 4.49Å; L98-I144 HydrophobicContact CD1-CD1 3.61Å; L98-I144 HydrophobicContact CD1-CG1 4.06Å; L98-I144 HydrophobicContact CG-CD1 4.48Å; L98-I144 HydrophobicContact CG-CG1 4.45Å; L98-I144 WeakPolarHBondContact O-CG2 3.42Å
99	E	95.6	Very high	94.5	Very high	139 Å²	139	49.9 Å²	49.9	65%	0.65	25%	0.252	S	S	*	.			trans	-91.8	172.3	175.5	-62.1	-160.3	169.5	0	0	111.7	D101 D102 V103	E99-D101 PolarHBondContact O-N 2.99Å; E99-D102 PolarHBondContact N-OD2 2.87Å; E99-D102 WeakPolarHBondContact O-CB 3.49Å; E99-D102 PolarHBondContact O-N 3.31Å; E99-V103 PolarHBondContact O-N 2.94Å
100	D	97.5	Very high	94.7	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-36.5	-179.3	-65.1	-21.1	0	0	0	111.9	D102 V103 V104 A143 F172	D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.39Å; D100-V103 WeakPolarHBondContact O-CB 3.38Å; D100-V103 PolarHBondContact O-N 2.91Å; D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.11Å; D100-A143 HydrophobicContact CB-CB 4.25Å; D100-A143 WeakPolarHBondContact OD1-CB 3.07Å; D100-A143 PolarHBondContact OD1-N 2.62Å; D100-F172 WeakPolarHBondContact OD2-CB 3.32Å
101	D	96.8	Very high	94.9	Very high	90 Å²	90	53.2 Å²	53.2	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-68.1	-28.6	177.7	-70.2	-27.1	0	0	0	113	E99 V103 V104 A105 S171	E99-D101 PolarHBondContact O-N 2.99Å; D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V104 PolarHBondContact O-N 3.36Å; D101-A105 WeakPolarHBondContact O-CB 3.45Å; D101-A105 PolarHBondContact O-N 2.89Å; D101-S171 WeakPolarHBondContact OD1-CB 3.49Å
102	D	96.1	Very high	95.1	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-40	172.7	-64.5	-38.4	0	0	0	110.2	S51 T52 L98 E99 D100 A105 M106	S51-D102 PolarHBondContact OG-OD2 3.21Å; T52-D102 WeakPolarHBondContact CA-OD1 3.15Å; T52-D102 VanDerWaalsContact CB-OD1 3.29Å; T52-D102 WeakPolarHBondContact CB-OD1 3.41Å; T52-D102 PolarHBondContact N-OD1 3.28Å; T52-D102 PolarHBondContact OG1-OD1 2.92Å; L98-D102 WeakPolarHBondContact CA-OD2 3.33Å; L98-D102 HydrophobicContact CB-CB 3.93Å; L98-D102 HydrophobicContact CD2-CB 4.08Å; E99-D102 PolarHBondContact N-OD2 2.87Å; E99-D102 WeakPolarHBondContact O-CB 3.49Å; E99-D102 PolarHBondContact O-N 3.31Å; D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.39Å; D102-A105 PolarHBondContact O-N 2.82Å; D102-M106 WeakPolarHBondContact O-CB 3.25Å; D102-M106 WeakPolarHBondContact O-CG 3.35Å; D102-M106 PolarHBondContact O-N 2.63Å
103	V	97.6	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-41.3	174.4	-175.9	0	0	0	0	110.9	E99 D100 D101 A105 M106 T107 A143 I144 A175 L179	E99-V103 PolarHBondContact O-N 2.94Å; D100-V103 WeakPolarHBondContact O-CB 3.38Å; D100-V103 PolarHBondContact O-N 2.91Å; D101-V103 VanDerWaalsContact C-N 3.33Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.98Å; V103-M106 WeakPolarHBondContact O-CG 3.35Å; V103-T107 HydrophobicContact CG1-CG2 4.27Å; V103-T107 WeakPolarHBondContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CG2 3.21Å; V103-T107 PolarHBondContact O-N 3.41Å; V103-T107 VanDerWaalsContact O-N 3.11Å; V103-T107 PolarHBondContact O-OG1 2.81Å; V103-A143 HydrophobicContact CB-CB 4.08Å; V103-A143 HydrophobicContact CG1-CB 4.29Å; V103-A143 HydrophobicContact CG2-CB 3.91Å; V103-I144 HydrophobicContact CG2-CB 4.01Å; V103-I144 HydrophobicContact CG2-CD1 4.25Å; V103-A175 HydrophobicContact CB-CB 4.02Å; V103-A175 HydrophobicContact CG1-CB 3.89Å; V103-L179 HydrophobicContact CG1-CD1 4.08Å; V103-L179 HydrophobicContact CG1-CG 4.22Å
104	V	97.9	Very high	95.6	Very high	33 Å²	33	48 Å²	48	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-47.8	173.3	172.5	0	0	0	0	110.8	D100 D101 T107 S108 V174 A175 N178	D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.11Å; D101-V104 PolarHBondContact O-N 3.36Å; V104-T107 PolarHBondContact O-OG1 3.22Å; V104-S108 PolarHBondContact O-N 2.92Å; V104-V174 HydrophobicContact CB-CG1 4.43Å; V104-V174 HydrophobicContact CG1-CG1 3.77Å; V104-V174 HydrophobicContact CG2-CB 3.94Å; V104-V174 HydrophobicContact CG2-CG1 3.76Å; V104-A175 HydrophobicContact CG2-CB 3.91Å; V104-N178 PolarHBondContact O-ND2 3.3Å
105	A	96.1	Very high	95.8	Very high	39 Å²	39	49 Å²	49	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-67.9	-46.2	-177.4	0	0	0	0	0	112.4	T52 D101 D102 V103 T107 S108	T52-A105 HydrophobicContact CG2-CB 3.34Å; D101-A105 WeakPolarHBondContact O-CB 3.45Å; D101-A105 PolarHBondContact O-N 2.89Å; D102-A105 PolarHBondContact O-N 2.82Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.98Å; A105-T107 PolarHBondContact O-N 3.06Å; A105-S108 WeakPolarHBondContact O-CB 3.4Å; A105-S108 PolarHBondContact O-N 2.84Å; A105-S108 PolarHBondContact O-OG 2.72Å
106	M	95.1	Very high	95.9	Very high	23 Å²	23	52.9 Å²	52.9	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-24.8	-178.3	76	-174.5	-62.3	0	0	112.8	L50 D102 V103 Y113	L50-M106 HydrophobicContact CD1-CE 3.89Å; D102-M106 WeakPolarHBondContact O-CB 3.25Å; D102-M106 WeakPolarHBondContact O-CG 3.35Å; D102-M106 PolarHBondContact O-N 2.63Å; V103-M106 WeakPolarHBondContact O-CG 3.35Å; M106-Y113 HydrophobicContact CE-CD2 3.88Å; M106-Y113 HydrophobicContact CE-CE2 3.72Å; M106-Y113 HydrophobicContact CG-CD2 4.27Å; M106-Y113 HydrophobicContact CG-CE2 4.47Å; M106-Y113 WeakPolarHBondContact O-CB 3.45Å; M106-Y113 HydrophobicContact SD-CE2 4.48Å
107	T	96.8	Very high	96	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.5	178.7	58.4	0	0	0	0	113.6	V103 V104 A105 D109 Y113 N178 L179	V103-T107 HydrophobicContact CG1-CG2 4.27Å; V103-T107 WeakPolarHBondContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CG2 3.21Å; V103-T107 PolarHBondContact O-N 3.41Å; V103-T107 VanDerWaalsContact O-N 3.11Å; V103-T107 PolarHBondContact O-OG1 2.81Å; V104-T107 PolarHBondContact O-OG1 3.22Å; A105-T107 PolarHBondContact O-N 3.06Å; T107-D109 VanDerWaalsContact C-N 3.3Å; T107-D109 PolarHBondContact O-N 2.76Å; T107-Y113 HydrophobicContact CG2-CD1 4.16Å; T107-Y113 HydrophobicContact CG2-CD2 4.04Å; T107-Y113 HydrophobicContact CG2-CE1 4.18Å; T107-Y113 HydrophobicContact CG2-CE2 4.07Å; T107-Y113 HydrophobicContact CG2-CG 4.11Å; T107-N178 WeakPolarHBondContact OG1-CB 3.19Å; T107-L179 HydrophobicContact CG2-CD2 3.59Å; T107-L179 HydrophobicContact CG2-CG 4.04Å
108	S	95.4	Very high	96	Very high	92 Å²	92	52.7 Å²	52.7	64%	0.643	30%	0.295	S	S	*	.	S	Bend	trans	-68	-31.5	178.1	63.3	0	0	0	0	112.9	V104 A105	V104-S108 PolarHBondContact O-N 2.92Å; A105-S108 WeakPolarHBondContact O-CB 3.4Å; A105-S108 PolarHBondContact O-N 2.84Å; A105-S108 PolarHBondContact O-OG 2.72Å
109	D	96.3	Very high	96	Very high	70 Å²	70	52.5 Å²	52.5	37%	0.374	29%	0.294	S	S	.	.	S	Bend	trans	-117.1	108.2	171.2	-173.5	-43.7	0	0	0	108.9	T107 D111 I112 Y113	T107-D109 VanDerWaalsContact C-N 3.3Å; T107-D109 PolarHBondContact O-N 2.76Å; D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D109-I112 HydrophobicContact CB-CB 4.11Å; D109-I112 HydrophobicContact CB-CD1 3.99Å; D109-I112 HydrophobicContact CB-CG1 4.2Å; D109-I112 PolarHBondContact OD1-N 3.31Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.45Å; D109-Y113 VanDerWaalsContact O-CB 3.25Å; D109-Y113 WeakPolarHBondContact O-CB 3.09Å; D109-Y113 PolarHBondContact O-N 3.16Å
110	C	97.4	Very high	95.9	Very high	29 Å²	29	50 Å²	50	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-69.9	-32	-174	-65.4	0	0	0	0	113.1	Q114 C182	C110-Q114 VanDerWaalsContact O-CB 3.28Å; C110-Q114 WeakPolarHBondContact O-CB 3.37Å; C110-Q114 VanDerWaalsContact O-CG 3.23Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 2.84Å; C110-C182 WeakPolarHBondContact CA-SG 3.39Å; C110-C182 HydrophobicContact CB-CB 3.66Å; C110-C182 WeakPolarHBondContact CB-SG 3.43Å; C110-C182 WeakPolarHBondContact SG-CA 3.33Å; C110-C182 WeakPolarHBondContact SG-CB 3.25Å; C110-C182 CovalentContact SG-SG 2.06Å; C110-C182 PolarHBondContact SG-SG 3.16Å
111	D	96.8	Very high	95.6	Very high	122 Å²	122	54.8 Å²	54.8	65%	0.652	32%	0.318	S	S	*	.	H	α-helix	trans	-71.5	-42.8	-179.2	-68.2	-28.6	0	0	0	110	D109 T115	D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D111-T115 VanDerWaalsContact O-CB 3.26Å; D111-T115 WeakPolarHBondContact O-CB 3.24Å; D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 PolarHBondContact O-OG1 2.63Å
112	I	95.7	Very high	95.4	Very high	106 Å²	106	52.9 Å²	52.9	54%	0.544	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-49	173.3	-64	176.3	0	0	0	110.1	D109 Q114 T115 L116	D109-I112 HydrophobicContact CB-CB 4.11Å; D109-I112 HydrophobicContact CB-CD1 3.99Å; D109-I112 HydrophobicContact CB-CG1 4.2Å; D109-I112 PolarHBondContact OD1-N 3.31Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.45Å; I112-Q114 PolarHBondContact O-N 3.37Å; I112-T115 PolarHBondContact O-N 2.92Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 PolarHBondContact O-N 3.1Å
113	Y	96.3	Very high	95.3	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-55.2	-51.8	178.8	173.4	-120.4	0	0	0	111.9	M106 T107 D109 T115 L116 R117 Y119 E147 L179 C182 F183	M106-Y113 HydrophobicContact CE-CD2 3.88Å; M106-Y113 HydrophobicContact CE-CE2 3.72Å; M106-Y113 HydrophobicContact CG-CD2 4.27Å; M106-Y113 HydrophobicContact CG-CE2 4.47Å; M106-Y113 WeakPolarHBondContact O-CB 3.45Å; M106-Y113 HydrophobicContact SD-CE2 4.48Å; T107-Y113 HydrophobicContact CG2-CD1 4.16Å; T107-Y113 HydrophobicContact CG2-CD2 4.04Å; T107-Y113 HydrophobicContact CG2-CE1 4.18Å; T107-Y113 HydrophobicContact CG2-CE2 4.07Å; T107-Y113 HydrophobicContact CG2-CG 4.11Å; D109-Y113 VanDerWaalsContact O-CB 3.25Å; D109-Y113 WeakPolarHBondContact O-CB 3.09Å; D109-Y113 PolarHBondContact O-N 3.16Å; Y113-T115 VanDerWaalsContact C-N 3.33Å; Y113-T115 PolarHBondContact O-N 3.12Å; Y113-L116 PolarHBondContact O-N 3.4Å; Y113-R117 HydrophobicContact CD2-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 3.44Å; Y113-R117 VanDerWaalsContact CE2-CG 3.44Å; Y113-R117 WeakPolarHBondContact O-CB 3.5Å; Y113-R117 PolarHBondContact O-N 2.87Å; Y113-Y119 AromaticContact CE1-CE2 3.92Å; Y113-Y119 HydrophobicContact CE1-CE2 3.92Å; Y113-Y119 AromaticContact CZ-CE2 3.89Å; Y113-Y119 PolarHBondContact OH-OH 3.27Å; Y113-Y119 VanDerWaalsContact OH-OH 3.06Å; Y113-E147 HydrophobicContact CE2-CG 4.33Å; Y113-E147 WeakPolarHBondContact CE2-OE1 3.14Å; Y113-E147 WeakPolarHBondContact OH-CG 3.35Å; Y113-E147 PolarHBondContact OH-OE1 3.19Å; Y113-L179 HydrophobicContact CE1-CD2 4.06Å; Y113-C182 HydrophobicContact CD1-CB 4.18Å; Y113-F183 HydrophobicContact CD1-CZ 4.43Å; Y113-F183 AromaticContact CE1-CE2 3.88Å; Y113-F183 HydrophobicContact CE1-CE2 3.88Å; Y113-F183 AromaticContact CE1-CZ 3.7Å; Y113-F183 HydrophobicContact CE1-CZ 3.7Å
114	Q	96.7	Very high	95.1	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.29	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-39.5	-177.6	-76.4	-176.6	15.3	0	0	112.3	C110 I112 G118 Y119 C182 F183	C110-Q114 VanDerWaalsContact O-CB 3.28Å; C110-Q114 WeakPolarHBondContact O-CB 3.37Å; C110-Q114 VanDerWaalsContact O-CG 3.23Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 2.84Å; I112-Q114 PolarHBondContact O-N 3.37Å; Q114-G118 PolarHBondContact O-N 3.23Å; Q114-Y119 HydrophobicContact CB-CD2 4.39Å; Q114-Y119 HydrophobicContact CG-CD2 4.37Å; Q114-Y119 PolarHBondContact O-N 3.44Å; Q114-C182 PolarHBondContact NE2-O 3.04Å; Q114-F183 HydrophobicContact CG-CE1 4.08Å; Q114-F183 HydrophobicContact CG-CZ 4.46Å
115	T	95.4	Very high	95	Very high	104 Å²	104	57.3 Å²	57.3	64%	0.638	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-48.2	177.7	-60.4	0	0	0	0	110.7	D111 I112 Y113 R117 G118	D111-T115 VanDerWaalsContact O-CB 3.26Å; D111-T115 WeakPolarHBondContact O-CB 3.24Å; D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 PolarHBondContact O-OG1 2.63Å; I112-T115 PolarHBondContact O-N 2.92Å; Y113-T115 VanDerWaalsContact C-N 3.33Å; Y113-T115 PolarHBondContact O-N 3.12Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.24Å; T115-G118 PolarHBondContact O-N 3.47Å; T115-G118 VanDerWaalsContact O-N 3.09Å
116	L	92.9	Very high	94.9	Very high	99 Å²	99	63 Å²	63	52%	0.518	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-40.9	179.2	176.3	69.6	0	0	0	112.1	L50 I112 Y113 G118	L50-L116 HydrophobicContact CD2-CD1 4.47Å; L50-L116 HydrophobicContact CD2-CD2 3.59Å; L50-L116 HydrophobicContact CD2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 PolarHBondContact O-N 3.1Å; Y113-L116 PolarHBondContact O-N 3.4Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.05Å
117	R	94.4	Very high	94.9	Very high	33 Å²	33	64.5 Å²	64.5	13%	0.125	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.6	176.5	-72.7	-56.6	-162.2	-155.9	7.9	114.1	E47 L50 Y113 T115 Y119 E147 H151	E47-R117 IonicContact OE1-CZ 2.64Å; E47-R117 IonicContact OE1-NH1 3.68Å; E47-R117 PolarHBondContact OE1-NH1 3.11Å; E47-R117 IonicContact OE1-NH2 2.73Å; E47-R117 PolarHBondContact OE1-NH2 3.28Å; E47-R117 IonicContact OE2-NH2 2.9Å; L50-R117 VanDerWaalsContact CD1-NH1 3.34Å; Y113-R117 HydrophobicContact CD2-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 3.44Å; Y113-R117 VanDerWaalsContact CE2-CG 3.44Å; Y113-R117 WeakPolarHBondContact O-CB 3.5Å; Y113-R117 PolarHBondContact O-N 2.87Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.24Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-Y119 HydrophobicContact CB-CD2 3.52Å; R117-Y119 HydrophobicContact CB-CE2 3.38Å; R117-Y119 HydrophobicContact CG-CE2 4.06Å; R117-Y119 PolarHBondContact O-N 3.48Å; R117-E147 IonicContact CZ-OE1 2.83Å; R117-E147 IonicContact CZ-OE2 3.56Å; R117-E147 IonicContact NE-OE1 2.81Å; R117-E147 PolarHBondContact NE-OE1 2.88Å; R117-E147 IonicContact NE-OE2 3.41Å; R117-E147 PolarHBondContact NE-OE2 2.71Å; R117-E147 IonicContact NH2-OE1 2.74Å; R117-E147 IonicContact NH2-OE2 3.83Å; R117-E147 PolarHBondContact NH2-OE2 2.93Å; R117-H151 PolarHBondContact O-CD2 2.87Å; R117-H151 PolarHBondContact O-NE2 3.5Å
118	G	95.1	Very high	94.9	Very high	20 Å²	20	64.4 Å²	64.4	21%	0.206	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	32.5	174	0	0	0	0	0	114.7	Q114 T115 L116 A120 Q121	Q114-G118 PolarHBondContact O-N 3.23Å; T115-G118 PolarHBondContact O-N 3.47Å; T115-G118 VanDerWaalsContact O-N 3.09Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.05Å; G118-A120 PolarHBondContact O-N 3.02Å; G118-Q121 PolarHBondContact O-N 3.4Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; G118-Q121 PolarHBondContact O-OE1 3.37Å
119	Y	95.3	Very high	95	Very high	6 Å²	6	66.4 Å²	66.4	2%	0.024	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-64.1	-27.5	-177.3	-82.2	-84.7	0	0	0	113.2	Y113 Q114 R117 Q121 K122 H151 Y154 F183	Y113-Y119 AromaticContact CE1-CE2 3.92Å; Y113-Y119 HydrophobicContact CE1-CE2 3.92Å; Y113-Y119 AromaticContact CZ-CE2 3.89Å; Y113-Y119 PolarHBondContact OH-OH 3.27Å; Y113-Y119 VanDerWaalsContact OH-OH 3.06Å; Q114-Y119 HydrophobicContact CB-CD2 4.39Å; Q114-Y119 HydrophobicContact CG-CD2 4.37Å; Q114-Y119 PolarHBondContact O-N 3.44Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-Y119 HydrophobicContact CB-CD2 3.52Å; R117-Y119 HydrophobicContact CB-CE2 3.38Å; R117-Y119 HydrophobicContact CG-CE2 4.06Å; R117-Y119 PolarHBondContact O-N 3.48Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-K122 HydrophobicContact CD1-CD 4.25Å; Y119-H151 AromaticContact CE2-CD2 3.97Å; Y119-H151 AromaticContact CZ-CD2 3.77Å; Y119-Y154 AromaticContact CD1-CD1 3.34Å; Y119-Y154 HydrophobicContact CD1-CD1 3.34Å; Y119-Y154 AromaticContact CD1-CE1 3.7Å; Y119-Y154 HydrophobicContact CD1-CE1 3.7Å; Y119-Y154 AromaticContact CD1-CG 3.81Å; Y119-Y154 HydrophobicContact CD1-CG 3.81Å; Y119-Y154 AromaticContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD2 4.24Å; Y119-Y154 HydrophobicContact CE1-CE1 4.28Å; Y119-Y154 AromaticContact CE1-CG 3.58Å; Y119-Y154 HydrophobicContact CE1-CG 3.58Å; Y119-F183 AromaticContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CZ 4.13Å; Y119-F183 HydrophobicContact CD2-CE1 4.14Å; Y119-F183 HydrophobicContact CD2-CZ 4.1Å; Y119-F183 AromaticContact CE1-CE1 3.72Å; Y119-F183 HydrophobicContact CE1-CE1 3.72Å; Y119-F183 AromaticContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE2-CE1 4.09Å; Y119-F183 AromaticContact CE2-CZ 3.61Å; Y119-F183 HydrophobicContact CE2-CZ 3.61Å; Y119-F183 AromaticContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CZ 4.32Å; Y119-F183 AromaticContact CZ-CE1 3.89Å; Y119-F183 AromaticContact CZ-CZ 3.37Å
120	A	91.9	Very high	95	Very high	87 Å²	87	66.9 Å²	66.9	72%	0.719	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-73.9	-23.5	177.7	0	0	0	0	0	113	G118 K122	G118-A120 PolarHBondContact O-N 3.02Å; A120-K122 VanDerWaalsContact C-N 3.32Å
121	Q	91.3	Very high	95.1	Very high	127 Å²	127	66.7 Å²	66.7	59%	0.593	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-84.9	-6.5	-178.8	-65.5	80.3	-4.4	0	0	112.6	G118 Y119 L123	G118-Q121 PolarHBondContact O-N 3.4Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; G118-Q121 PolarHBondContact O-OE1 3.37Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-L123 PolarHBondContact O-N 3.01Å; Q121-L123 VanDerWaalsContact O-N 3.16Å
122	K	93.4	Very high	95.2	Very high	50 Å²	50	61.6 Å²	61.6	22%	0.217	33%	0.329	C	S	.	.			trans	-62.4	117.9	178.2	-77.9	-179.1	158.1	-102.3	0	111	Y119 A120 H151 Y154	Y119-K122 HydrophobicContact CD1-CD 4.25Å; A120-K122 VanDerWaalsContact C-N 3.32Å; K122-H151 WeakPolarHBondContact CE-O 3.41Å; K122-H151 PolarHBondContact NZ-O 2.89Å; K122-Y154 HydrophobicContact CD-CD1 4.01Å; K122-Y154 WeakPolarHBondContact CD-O 3.43Å; K122-Y154 PolarHBondContact NZ-O 3.42Å
123	L	93.8	Very high	95.3	Very high	79 Å²	79	56.6 Å²	56.6	41%	0.414	30%	0.303	S	S	.	.			trans	-78.4	136.9	-179.8	-60	-172.9	0	0	0	111.4	Q121 Q432 R433 I436	Q121-L123 PolarHBondContact O-N 3.01Å; Q121-L123 VanDerWaalsContact O-N 3.16Å; L123-Q432 PolarHBondContact O-NE2 2.68Å; L123-R433 HydrophobicContact CD1-CB 4.31Å; L123-R433 HydrophobicContact CD1-CG 3.63Å; L123-I436 VanDerWaalsContact C-CD1 3.47Å; L123-I436 HydrophobicContact CB-CD1 3.45Å; L123-I436 VanDerWaalsContact CB-CD1 3.45Å
124	V	94.1	Very high	95.5	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.236	30%	0.303	C	S	.	.			trans	-139.4	126	-179	-175.5	0	0	0	0	110.4	E128 K129 N155 H157	V124-E128 HydrophobicContact CG1-CB 3.83Å; V124-K129 HydrophobicContact CG1-CG 3.7Å; V124-N155 VanDerWaalsContact CG2-OD1 3.25Å; V124-N155 WeakPolarHBondContact CG2-OD1 3.48Å; V124-H157 WeakPolarHBondContact CG1-CE1 3.4Å
125	S	95.2	Very high	95.6	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	29%	0.29	C	S	.	.			trans	-76	165.6	173.1	70.3	0	0	0	0	113	E127 E128 K129	S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.48Å; S125-E127 PolarHBondContact OG-N 2.64Å; S125-E128 WeakPolarHBondContact CA-OE2 3.48Å; S125-E128 WeakPolarHBondContact CB-OE2 3.41Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 PolarHBondContact O-N 2.9Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.31Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 2.95Å; S125-K129 WeakPolarHBondContact O-CG 3.45Å; S125-K129 PolarHBondContact O-N 2.85Å
126	K	94	Very high	95.7	Very high	160 Å²	160	48.7 Å²	48.7	70%	0.696	26%	0.259	S	S	*	.	H	α-helix	trans	-63.2	-34.8	172.3	-68.8	-179.3	-179.7	175.9	0	112.3	K129 S130	K126-K129 PolarHBondContact O-N 3.44Å; K126-S130 PolarHBondContact O-N 3.49Å
127	E	94.6	Very high	96	Very high	54 Å²	54	44 Å²	44	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-48	179.1	-179.5	168.5	-166.6	0	0	110.8	S125 K129 S130 F131 V240 K244	S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.48Å; S125-E127 PolarHBondContact OG-N 2.64Å; E127-K129 PolarHBondContact O-N 3.01Å; E127-S130 PolarHBondContact O-N 3.23Å; E127-S130 VanDerWaalsContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 2.93Å; E127-F131 PolarHBondContact O-N 3.33Å; E127-V240 HydrophobicContact CG-CG1 4.08Å; E127-K244 HydrophobicContact CG-CD 4.28Å; E127-K244 VanDerWaalsContact OE1-CD 3.26Å; E127-K244 WeakPolarHBondContact OE1-CD 3.41Å; E127-K244 WeakPolarHBondContact OE1-CE 3.38Å; E127-K244 IonicContact OE1-NZ 2.63Å; E127-K244 PolarHBondContact OE1-NZ 3.14Å
128	E	97.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.7	176.7	-68.3	163.8	97.8	0	0	111.7	V124 S125 S130 F131 H157 N236 F237 V240 Q432	V124-E128 HydrophobicContact CG1-CB 3.83Å; S125-E128 WeakPolarHBondContact CA-OE2 3.48Å; S125-E128 WeakPolarHBondContact CB-OE2 3.41Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 PolarHBondContact O-N 2.9Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.31Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 2.95Å; E128-S130 PolarHBondContact O-N 3Å; E128-S130 VanDerWaalsContact O-N 3.1Å; E128-F131 CarbonylContact O-C 3.55Å; E128-F131 PolarHBondContact O-N 3.39Å; E128-H157 PolarHBondContact O-CD2 3.46Å; E128-H157 PolarHBondContact O-NE2 3.3Å; E128-H157 VanDerWaalsContact O-NE2 3.14Å; E128-N236 WeakPolarHBondContact CG-ND2 3.34Å; E128-N236 WeakPolarHBondContact OE1-CB 3.48Å; E128-N236 PolarHBondContact OE1-ND2 3.4Å; E128-F237 PolarHBondContact OE1-N 2.73Å; E128-F237 VanDerWaalsContact OE1-N 3.14Å; E128-V240 HydrophobicContact CB-CG2 4.46Å; E128-V240 HydrophobicContact CG-CB 4.3Å; E128-V240 HydrophobicContact CG-CG2 4.01Å; E128-Q432 PolarHBondContact OE1-NE2 2.68Å; E128-Q432 PolarHBondContact OE2-NE2 3.41Å
129	K	96.8	Very high	96.4	Very high	135 Å²	135	42.2 Å²	42.2	59%	0.587	22%	0.223	S	C	*	.	H	α-helix	trans	-56	-32.1	176.1	-70.2	-179.7	-176.8	-177.4	0	113.3	V124 S125 K126 E127 F131	V124-K129 HydrophobicContact CG1-CG 3.7Å; S125-K129 WeakPolarHBondContact O-CG 3.45Å; S125-K129 PolarHBondContact O-N 2.85Å; K126-K129 PolarHBondContact O-N 3.44Å; E127-K129 PolarHBondContact O-N 3.01Å; K129-F131 VanDerWaalsContact C-N 3.34Å
130	S	97.4	Very high	96.5	Very high	80 Å²	80	46.6 Å²	46.6	56%	0.559	24%	0.244	S	C	*	.	H	α-helix	trans	-84.3	-7.4	178.5	74	0	0	0	0	114.1	K126 E127 E128	K126-S130 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-N 3.23Å; E127-S130 VanDerWaalsContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 2.93Å; E128-S130 PolarHBondContact O-N 3Å; E128-S130 VanDerWaalsContact O-N 3.1Å
131	F	98.5	Very high	96.7	Very high	25 Å²	25	46.3 Å²	46.3	11%	0.11	23%	0.226	C	C	.	.	S	Bend	trans	-130.2	67.4	-177	-158.1	-87.1	0	0	0	112	E127 E128 K129 K221 Y222 V240 L243 K244	E127-F131 PolarHBondContact O-N 3.33Å; E128-F131 CarbonylContact O-C 3.55Å; E128-F131 PolarHBondContact O-N 3.39Å; K129-F131 VanDerWaalsContact C-N 3.34Å; F131-K221 HydrophobicContact CD1-CB 4.26Å; F131-K221 HydrophobicContact CD1-CG 4.25Å; F131-K221 HydrophobicContact CD2-CB 4.31Å; F131-K221 HydrophobicContact CD2-CG 3.78Å; F131-K221 HydrophobicContact CE1-CB 3.86Å; F131-K221 HydrophobicContact CE1-CG 4.3Å; F131-K221 HydrophobicContact CE2-CB 3.93Å; F131-K221 HydrophobicContact CE2-CG 3.83Å; F131-K221 HydrophobicContact CG-CB 4.47Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.71Å; F131-K221 HydrophobicContact CZ-CG 4.12Å; F131-Y222 AromaticContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CE2 4.41Å; F131-Y222 AromaticContact CZ-CD2 3.66Å; F131-Y222 HydrophobicContact CZ-CD2 3.66Å; F131-Y222 AromaticContact CZ-CE2 3.74Å; F131-Y222 HydrophobicContact CZ-CE2 3.74Å; F131-V240 HydrophobicContact CB-CG1 3.72Å; F131-V240 HydrophobicContact CB-CG2 4.49Å; F131-V240 HydrophobicContact CD1-CB 4.43Å; F131-V240 HydrophobicContact CD1-CG1 3.94Å; F131-V240 HydrophobicContact CD1-CG2 4.16Å; F131-V240 HydrophobicContact CG-CG1 3.93Å; F131-L243 HydrophobicContact CE1-CB 3.6Å; F131-L243 HydrophobicContact CE1-CD1 4.21Å; F131-L243 HydrophobicContact CZ-CB 3.98Å; F131-K244 HydrophobicContact CD2-CD 4.15Å; F131-K244 HydrophobicContact CD2-CG 3.58Å; F131-K244 HydrophobicContact CE1-CG 4.45Å; F131-K244 HydrophobicContact CE2-CB 4.44Å; F131-K244 HydrophobicContact CE2-CD 4.43Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.18Å; F131-K244 HydrophobicContact CZ-CG 3.86Å
132	P	98.6	Very high	97	Very high	15 Å²	15	41.8 Å²	41.8	10%	0.097	21%	0.206	C	C	.	.			trans	-62.5	141.1	178.7	-23.3	35.4	0	0	0	113.4	H157 V218 W220 K221	P132-H157 VanDerWaalsContact CB-O 3.3Å; P132-H157 WeakPolarHBondContact CB-O 3.3Å; P132-V218 HydrophobicContact CB-CG1 3.83Å; P132-V218 HydrophobicContact CG-CG1 4.37Å; P132-W220 HydrophobicContact CB-CB 4.29Å; P132-W220 CarbonylContact O-C 3.59Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.17Å; P132-K221 PolarHBondContact O-N 3.01Å
133	I	98.9	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.9	176.2	-55.4	171.7	0	0	0	108.8	Y135 N158 I159 I224 L239 V240 L243	I133-Y135 HydrophobicContact CB-CE2 3.93Å; I133-Y135 HydrophobicContact CG2-CD2 4.14Å; I133-Y135 HydrophobicContact CG2-CE1 4.28Å; I133-Y135 HydrophobicContact CG2-CE2 3.56Å; I133-N158 PolarHBondContact N-OD1 2.81Å; I133-N158 VanDerWaalsContact O-CA 3.29Å; I133-N158 WeakPolarHBondContact O-CA 3.41Å; I133-N158 WeakPolarHBondContact O-CB 3.46Å; I133-I159 PolarHBondContact O-N 3.34Å; I133-I224 HydrophobicContact CG2-CD1 3.99Å; I133-I224 HydrophobicContact CG2-CG1 3.99Å; I133-L239 HydrophobicContact CD1-CD2 3.92Å; I133-L239 HydrophobicContact CD1-CG 4.08Å; I133-V240 HydrophobicContact CD1-CG2 3.92Å; I133-L243 HydrophobicContact CD1-CD1 3.64Å; I133-L243 HydrophobicContact CG1-CD1 3.93Å
134	A	98.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147.6	168.5	0	0	0	0	0	111	I159 L213 W220 Y222 V223 I224	A134-I159 CarbonylContact C-O 3.54Å; A134-I159 VanDerWaalsContact CA-O 3.25Å; A134-I159 WeakPolarHBondContact CA-O 3.32Å; A134-I159 HydrophobicContact CB-CG2 3.62Å; A134-L213 HydrophobicContact CB-CD1 4.06Å; A134-L213 HydrophobicContact CB-CD2 3.95Å; A134-L213 HydrophobicContact CB-CG 4.48Å; A134-W220 HydrophobicContact CB-CB 4.02Å; A134-W220 HydrophobicContact CB-CD2 3.63Å; A134-W220 HydrophobicContact CB-CE3 3.94Å; A134-W220 HydrophobicContact CB-CG 3.66Å; A134-Y222 PolarHBondContact N-O 3.43Å; A134-V223 HydrophobicContact CB-CB 4.04Å; A134-V223 HydrophobicContact CB-CG2 4.04Å; A134-V223 CarbonylContact O-C 3.56Å; A134-V223 VanDerWaalsContact O-CA 3.23Å; A134-V223 WeakPolarHBondContact O-CA 3.41Å; A134-I224 PolarHBondContact O-N 2.83Å
135	Y	98.9	Very high	97.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.8	176	-67.4	-88.1	0	0	0	111.4	I133 I153 I159 Y160 C161 I224 L226 L239 F408	I133-Y135 HydrophobicContact CB-CE2 3.93Å; I133-Y135 HydrophobicContact CG2-CD2 4.14Å; I133-Y135 HydrophobicContact CG2-CE1 4.28Å; I133-Y135 HydrophobicContact CG2-CE2 3.56Å; Y135-I153 HydrophobicContact CD1-CD1 3.87Å; Y135-I153 HydrophobicContact CD2-CD1 4.44Å; Y135-I153 HydrophobicContact CE1-CB 4.47Å; Y135-I153 HydrophobicContact CE1-CD1 4.11Å; Y135-I153 HydrophobicContact CG-CD1 4.03Å; Y135-I159 PolarHBondContact N-O 2.95Å; Y135-Y160 AromaticContact CD2-CD1 3.54Å; Y135-Y160 HydrophobicContact CD2-CD1 3.54Å; Y135-Y160 AromaticContact CD2-CE1 3.17Å; Y135-Y160 HydrophobicContact CD2-CE1 3.17Å; Y135-Y160 AromaticContact CD2-CZ 3.92Å; Y135-Y160 HydrophobicContact CE2-CD1 4.43Å; Y135-Y160 AromaticContact CE2-CE1 3.64Å; Y135-Y160 HydrophobicContact CE2-CE1 3.64Å; Y135-Y160 AromaticContact CG-CD1 3.87Å; Y135-Y160 HydrophobicContact CG-CD1 3.87Å; Y135-Y160 AromaticContact CG-CE1 3.87Å; Y135-Y160 HydrophobicContact CG-CE1 3.87Å; Y135-C161 PolarHBondContact O-N 3.1Å; Y135-I224 WeakPolarHBondContact CA-O 3.3Å; Y135-I224 HydrophobicContact CD1-CB 3.95Å; Y135-I224 HydrophobicContact CE1-CB 3.99Å; Y135-I224 HydrophobicContact CE1-CD1 3.98Å; Y135-I224 HydrophobicContact CE1-CG1 4.28Å; Y135-L226 HydrophobicContact CD1-CD1 3.63Å; Y135-L226 HydrophobicContact CD1-CG 4.29Å; Y135-L226 HydrophobicContact CE1-CD1 4.09Å; Y135-L239 WeakPolarHBondContact OH-CD2 3.5Å; Y135-F408 AromaticContact CE1-CZ 3.94Å; Y135-F408 HydrophobicContact CE1-CZ 3.94Å
136	S	98.9	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.2	169.9	177.3	0	0	0	0	108.7	D206 C209 I224 N225 L226	S136-D206 PolarHBondContact OG-OD1 3.48Å; S136-C209 VanDerWaalsContact OG-CB 3.25Å; S136-C209 WeakPolarHBondContact OG-CB 3.49Å; S136-I224 PolarHBondContact N-O 2.88Å; S136-N225 CarbonylContact O-C 3.34Å; S136-N225 VanDerWaalsContact O-CA 3.26Å; S136-N225 WeakPolarHBondContact O-CA 3.21Å; S136-L226 PolarHBondContact O-N 3.41Å
137	L	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.4	-177.1	-68.2	149.5	0	0	0	109.5	V139 L149 I150 I153 C161 I162 H163 L226	L137-V139 HydrophobicContact CB-CG1 4.31Å; L137-L149 HydrophobicContact CD2-CD2 3.67Å; L137-L149 HydrophobicContact CD2-CG 4.31Å; L137-I150 HydrophobicContact CD1-CD1 4.38Å; L137-I150 HydrophobicContact CD1-CG1 4.09Å; L137-I153 HydrophobicContact CD2-CD1 4.47Å; L137-C161 PolarHBondContact N-O 3.19Å; L137-I162 HydrophobicContact CB-CG1 4.41Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; L137-H163 PolarHBondContact O-N 3.13Å; L137-L226 WeakPolarHBondContact CA-O 3.49Å; L137-L226 HydrophobicContact CD2-CB 3.84Å; L137-L226 HydrophobicContact CD2-CD1 3.99Å
138	V	98.8	Very high	98.3	Very high	13 Å²	13	24.7 Å²	24.7	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107.4	175.6	-176.8	0	0	0	0	109.7	H163 A205 D206 L226 C227	V138-H163 WeakPolarHBondContact CA-O 3.48Å; V138-H163 HydrophobicContact CG2-CB 4.39Å; V138-A205 HydrophobicContact CG1-CB 3.92Å; V138-A205 HydrophobicContact CG2-CB 4.08Å; V138-D206 WeakPolarHBondContact CG2-OD1 3.34Å; V138-L226 PolarHBondContact N-O 2.98Å; V138-C227 WeakPolarHBondContact O-CA 3.37Å
139	V	98.8	Very high	98.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.7	-165.7	-59	0	0	0	0	112.5	L137 V146 I162 H163 Y164 D165 F172 M176	L137-V139 HydrophobicContact CB-CG1 4.31Å; V139-V146 HydrophobicContact CB-CG2 3.97Å; V139-V146 HydrophobicContact CG1-CG1 4.15Å; V139-V146 HydrophobicContact CG1-CG2 3.78Å; V139-V146 HydrophobicContact CG2-CG2 4.47Å; V139-I162 HydrophobicContact CG2-CG2 3.85Å; V139-H163 PolarHBondContact N-O 3.17Å; V139-Y164 CarbonylContact O-C 3.59Å; V139-Y164 VanDerWaalsContact O-CA 3.25Å; V139-Y164 WeakPolarHBondContact O-CA 3.5Å; V139-D165 PolarHBondContact O-N 2.84Å; V139-F172 HydrophobicContact CB-CZ 3.98Å; V139-F172 HydrophobicContact CG2-CE1 4.01Å; V139-F172 HydrophobicContact CG2-CZ 3.77Å; V139-M176 HydrophobicContact CG2-CG 4.47Å; V139-M176 HydrophobicContact CG2-SD 4.01Å
140	H	97.8	Very high	98.4	Very high	98 Å²	98	18.3 Å²	18.3	45%	0.454	10%	0.095	S	C	.	.			trans	-153.1	-7.1	-178.1	69.5	-81.4	0	0	0	116.5	D165 A168	H140-D165 HydrophobicContact CB-CB 3.67Å; H140-A168 WeakPolarHBondContact O-CB 3.23Å
141	K	96.8	Very high	98.5	Very high	81 Å²	81	16 Å²	16	35%	0.352	8%	0.075	S	C	.	.	S	Bend	trans	-165.5	171.3	-178.4	65.4	-177.6	-172.1	93.9	0	111	F172	K141-F172 VanDerWaalsContact CA-CE2 3.49Å; K141-F172 VanDerWaalsContact O-CE2 3.26Å; K141-F172 WeakPolarHBondContact O-CE2 2.95Å
142	D	97.4	Very high	98.5	Very high	33 Å²	33	16.3 Å²	16.3	18%	0.176	8%	0.082	C	C	.	.			trans	56	66.3	175.9	-57.7	-59.2	0	0	0	111.2	I144 M145 V146 K415	D142-I144 PolarHBondContact O-N 3.43Å; D142-I144 VanDerWaalsContact O-N 3.12Å; D142-M145 HydrophobicContact CB-CB 4.34Å; D142-M145 HydrophobicContact CB-CG 4.36Å; D142-M145 WeakPolarHBondContact O-CB 3.47Å; D142-M145 PolarHBondContact O-N 2.94Å; D142-V146 PolarHBondContact O-N 3.38Å; D142-K415 IonicContact OD1-NZ 2.68Å; D142-K415 PolarHBondContact OD1-NZ 3.31Å
143	A	98.5	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.7	-33	-173.7	0	0	0	0	0	113.1	D100 V103 M145 V146 E147 F172 A175 M176	D100-A143 HydrophobicContact CB-CB 4.25Å; D100-A143 WeakPolarHBondContact OD1-CB 3.07Å; D100-A143 PolarHBondContact OD1-N 2.62Å; V103-A143 HydrophobicContact CB-CB 4.08Å; V103-A143 HydrophobicContact CG1-CB 4.29Å; V103-A143 HydrophobicContact CG2-CB 3.91Å; A143-M145 VanDerWaalsContact C-N 3.31Å; A143-M145 PolarHBondContact O-N 2.95Å; A143-V146 PolarHBondContact O-N 3.3Å; A143-E147 WeakPolarHBondContact O-CB 3.28Å; A143-E147 PolarHBondContact O-N 2.87Å; A143-F172 HydrophobicContact CB-CD2 3.85Å; A143-F172 HydrophobicContact CB-CE2 4.02Å; A143-A175 HydrophobicContact CB-CB 3.73Å; A143-M176 HydrophobicContact CB-CE 3.61Å
144	I	97.9	Very high	98.4	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-33.9	177.8	-172.3	59.6	0	0	0	112.6	L98 V103 D142 V146 E147 R148	L98-I144 HydrophobicContact CB-CB 4.13Å; L98-I144 HydrophobicContact CB-CD1 4.26Å; L98-I144 HydrophobicContact CB-CG1 3.96Å; L98-I144 HydrophobicContact CB-CG2 4.49Å; L98-I144 HydrophobicContact CD1-CD1 3.61Å; L98-I144 HydrophobicContact CD1-CG1 4.06Å; L98-I144 HydrophobicContact CG-CD1 4.48Å; L98-I144 HydrophobicContact CG-CG1 4.45Å; L98-I144 WeakPolarHBondContact O-CG2 3.42Å; V103-I144 HydrophobicContact CG2-CB 4.01Å; V103-I144 HydrophobicContact CG2-CD1 4.25Å; D142-I144 PolarHBondContact O-N 3.43Å; D142-I144 VanDerWaalsContact O-N 3.12Å; I144-V146 VanDerWaalsContact C-N 3.35Å; I144-E147 HydrophobicContact CD1-CB 4.37Å; I144-E147 PolarHBondContact O-N 3.18Å; I144-R148 HydrophobicContact CD1-CG 4.46Å; I144-R148 VanDerWaalsContact CG1-CZ 3.48Å; I144-R148 WeakPolarHBondContact O-CB 3.38Å; I144-R148 WeakPolarHBondContact O-CG 3.45Å; I144-R148 PolarHBondContact O-N 3.32Å
145	M	98.4	Very high	98.3	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-68.5	-37.6	174.8	-76.9	-61.1	-58.1	0	0	111.3	D142 A143 L149 F412 I421	D142-M145 HydrophobicContact CB-CB 4.34Å; D142-M145 HydrophobicContact CB-CG 4.36Å; D142-M145 WeakPolarHBondContact O-CB 3.47Å; D142-M145 PolarHBondContact O-N 2.94Å; A143-M145 VanDerWaalsContact C-N 3.31Å; A143-M145 PolarHBondContact O-N 2.95Å; M145-L149 VanDerWaalsContact O-CB 3.31Å; M145-L149 WeakPolarHBondContact O-CB 3.4Å; M145-L149 PolarHBondContact O-N 2.83Å; M145-F412 HydrophobicContact CE-CB 3.95Å; M145-I421 HydrophobicContact CE-CD1 3.75Å; M145-I421 HydrophobicContact CE-CG1 4.42Å; M145-I421 HydrophobicContact SD-CD1 3.61Å
146	V	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-41.5	174	-175.3	0	0	0	0	110.8	V139 D142 A143 I144 L149 I150 F172 M176	V139-V146 HydrophobicContact CB-CG2 3.97Å; V139-V146 HydrophobicContact CG1-CG1 4.15Å; V139-V146 HydrophobicContact CG1-CG2 3.78Å; V139-V146 HydrophobicContact CG2-CG2 4.47Å; D142-V146 PolarHBondContact O-N 3.38Å; A143-V146 PolarHBondContact O-N 3.3Å; I144-V146 VanDerWaalsContact C-N 3.35Å; V146-L149 PolarHBondContact O-N 3.09Å; V146-I150 HydrophobicContact CG1-CD1 4Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CB 3.01Å; V146-I150 WeakPolarHBondContact O-CG1 3.05Å; V146-I150 PolarHBondContact O-N 3.12Å; V146-F172 HydrophobicContact CG2-CE2 4.32Å; V146-F172 HydrophobicContact CG2-CZ 4.28Å; V146-M176 HydrophobicContact CB-CE 4.01Å; V146-M176 HydrophobicContact CB-SD 4.15Å; V146-M176 HydrophobicContact CG1-CE 4.15Å; V146-M176 HydrophobicContact CG1-SD 3.73Å; V146-M176 HydrophobicContact CG2-CE 4.4Å; V146-M176 HydrophobicContact CG2-SD 4.37Å
147	E	98.5	Very high	98.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-49.5	176	-169.7	-84.7	155.8	0	0	111.7	Y113 R117 A143 I144 L149 I150 H151 L179	Y113-E147 HydrophobicContact CE2-CG 4.33Å; Y113-E147 WeakPolarHBondContact CE2-OE1 3.14Å; Y113-E147 WeakPolarHBondContact OH-CG 3.35Å; Y113-E147 PolarHBondContact OH-OE1 3.19Å; R117-E147 IonicContact CZ-OE1 2.83Å; R117-E147 IonicContact CZ-OE2 3.56Å; R117-E147 IonicContact NE-OE1 2.81Å; R117-E147 PolarHBondContact NE-OE1 2.88Å; R117-E147 IonicContact NE-OE2 3.41Å; R117-E147 PolarHBondContact NE-OE2 2.71Å; R117-E147 IonicContact NH2-OE1 2.74Å; R117-E147 IonicContact NH2-OE2 3.83Å; R117-E147 PolarHBondContact NH2-OE2 2.93Å; A143-E147 WeakPolarHBondContact O-CB 3.28Å; A143-E147 PolarHBondContact O-N 2.87Å; I144-E147 HydrophobicContact CD1-CB 4.37Å; I144-E147 PolarHBondContact O-N 3.18Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.21Å; E147-I150 PolarHBondContact O-N 3.36Å; E147-H151 WeakPolarHBondContact O-CB 3.36Å; E147-H151 PolarHBondContact O-N 3.39Å; E147-L179 HydrophobicContact CB-CD1 4.16Å; E147-L179 HydrophobicContact CB-CD2 4.34Å; E147-L179 HydrophobicContact CG-CD1 4.48Å; E147-L179 HydrophobicContact CG-CD2 3.77Å
148	R	98.5	Very high	98.1	Very high	25 Å²	25	25.3 Å²	25.3	9%	0.094	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-38.8	175.9	-70.9	177.5	-174.4	136	3.7	112.6	V46 E47 D97 I144 H151 A152 F231	V46-R148 VanDerWaalsContact CG1-NH2 3.31Å; E47-R148 IonicContact OE2-CZ 3.41Å; E47-R148 VanDerWaalsContact OE2-CZ 3.24Å; E47-R148 IonicContact OE2-NE 2.68Å; E47-R148 PolarHBondContact OE2-NE 2.77Å; E47-R148 IonicContact OE2-NH2 3.21Å; E47-R148 PolarHBondContact OE2-NH2 3.26Å; D97-R148 IonicContact OD1-CZ 2.81Å; D97-R148 IonicContact OD1-NH1 2.71Å; D97-R148 IonicContact OD1-NH2 3.58Å; D97-R148 PolarHBondContact OD1-NH2 2.84Å; D97-R148 IonicContact OD2-CZ 3.48Å; D97-R148 IonicContact OD2-NH1 3.34Å; D97-R148 PolarHBondContact OD2-NH1 3.46Å; D97-R148 IonicContact OD2-NH2 3.47Å; D97-R148 PolarHBondContact OD2-NH2 2.04Å; I144-R148 HydrophobicContact CD1-CG 4.46Å; I144-R148 VanDerWaalsContact CG1-CZ 3.48Å; I144-R148 WeakPolarHBondContact O-CB 3.38Å; I144-R148 WeakPolarHBondContact O-CG 3.45Å; I144-R148 PolarHBondContact O-N 3.32Å; R148-H151 PolarHBondContact O-N 2.82Å; R148-A152 WeakPolarHBondContact O-CB 3.24Å; R148-A152 PolarHBondContact O-N 3.17Å; R148-F231 HydrophobicContact CB-CE2 4.35Å
149	L	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-51.1	174.6	173.5	57.4	0	0	0	110.6	L137 M145 V146 E147 H151 A152 I153 L226 D230	L137-L149 HydrophobicContact CD2-CD2 3.67Å; L137-L149 HydrophobicContact CD2-CG 4.31Å; M145-L149 VanDerWaalsContact O-CB 3.31Å; M145-L149 WeakPolarHBondContact O-CB 3.4Å; M145-L149 PolarHBondContact O-N 2.83Å; V146-L149 PolarHBondContact O-N 3.09Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.21Å; L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 2.83Å; L149-A152 PolarHBondContact O-N 2.8Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CG2 4.01Å; L149-I153 HydrophobicContact CG-CD1 4.41Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.1Å; L149-L226 HydrophobicContact CD1-CD1 4.28Å; L149-L226 HydrophobicContact CD2-CB 4.37Å; L149-L226 HydrophobicContact CD2-CD1 4.29Å; L149-D230 WeakPolarHBondContact CD1-O 3.28Å
150	I	98.7	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.7	-48.6	176.4	-72.8	170.5	0	0	0	109.5	L137 V146 E147 A152 I153 Y154 I162 I186	L137-I150 HydrophobicContact CD1-CD1 4.38Å; L137-I150 HydrophobicContact CD1-CG1 4.09Å; V146-I150 HydrophobicContact CG1-CD1 4Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CB 3.01Å; V146-I150 WeakPolarHBondContact O-CG1 3.05Å; V146-I150 PolarHBondContact O-N 3.12Å; E147-I150 PolarHBondContact O-N 3.36Å; I150-A152 VanDerWaalsContact C-N 3.29Å; I150-A152 PolarHBondContact O-N 3.07Å; I150-I153 PolarHBondContact O-N 3Å; I150-I153 VanDerWaalsContact O-N 3.16Å; I150-Y154 WeakPolarHBondContact O-CA 3.34Å; I150-Y154 WeakPolarHBondContact O-CB 3.4Å; I150-Y154 PolarHBondContact O-N 3.43Å; I150-I162 HydrophobicContact CD1-CD1 3.8Å; I150-I186 HydrophobicContact CG2-CD1 3.62Å
151	H	98.3	Very high	98.1	Very high	32 Å²	32	20.2 Å²	20.2	15%	0.148	10%	0.099	C	C	.	.	H	α-helix	trans	-55.7	-44.2	177.6	-178.4	-104.7	0	0	0	111.4	R117 Y119 K122 E147 R148 L149 I153 E429	R117-H151 PolarHBondContact O-CD2 2.87Å; R117-H151 PolarHBondContact O-NE2 3.5Å; Y119-H151 AromaticContact CE2-CD2 3.97Å; Y119-H151 AromaticContact CZ-CD2 3.77Å; K122-H151 WeakPolarHBondContact CE-O 3.41Å; K122-H151 PolarHBondContact NZ-O 2.89Å; E147-H151 WeakPolarHBondContact O-CB 3.36Å; E147-H151 PolarHBondContact O-N 3.39Å; R148-H151 PolarHBondContact O-N 2.82Å; L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 2.83Å; H151-I153 PolarHBondContact O-N 3.4Å; H151-E429 IonicContact CE1-OE1 3.77Å
152	A	98.4	Very high	98.2	Very high	31 Å²	31	16.4 Å²	16.4	26%	0.256	8%	0.082	S	C	.	.	H	α-helix	trans	-64.3	-40.7	177.7	0	0	0	0	0	113.4	R148 L149 I150 F231 P232	R148-A152 WeakPolarHBondContact O-CB 3.24Å; R148-A152 PolarHBondContact O-N 3.17Å; L149-A152 PolarHBondContact O-N 2.8Å; L149-A152 VanDerWaalsContact O-N 3.16Å; I150-A152 VanDerWaalsContact C-N 3.29Å; I150-A152 PolarHBondContact O-N 3.07Å; A152-F231 HydrophobicContact CB-CE1 4.03Å; A152-F231 HydrophobicContact CB-CE2 4.27Å; A152-F231 HydrophobicContact CB-CZ 3.72Å; A152-P232 HydrophobicContact CB-CG 3.73Å
153	I	98.5	Very high	98.3	Very high	8 Å²	8	14.8 Å²	14.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-95.3	-8	-174.6	69.5	178.5	0	0	0	114.5	Y135 L137 L149 I150 H151 Y160 L226 P232 F408	Y135-I153 HydrophobicContact CD1-CD1 3.87Å; Y135-I153 HydrophobicContact CD2-CD1 4.44Å; Y135-I153 HydrophobicContact CE1-CB 4.47Å; Y135-I153 HydrophobicContact CE1-CD1 4.11Å; Y135-I153 HydrophobicContact CG-CD1 4.03Å; L137-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CG2 4.01Å; L149-I153 HydrophobicContact CG-CD1 4.41Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.1Å; I150-I153 PolarHBondContact O-N 3Å; I150-I153 VanDerWaalsContact O-N 3.16Å; H151-I153 PolarHBondContact O-N 3.4Å; I153-Y160 HydrophobicContact CD1-CD1 4.11Å; I153-Y160 HydrophobicContact CD1-CE1 3.9Å; I153-Y160 HydrophobicContact CG1-CD1 4.38Å; I153-Y160 HydrophobicContact CG1-CE1 3.77Å; I153-Y160 PolarHBondContact O-OH 2.95Å; I153-L226 HydrophobicContact CD1-CD1 3.59Å; I153-P232 HydrophobicContact CG2-CB 4.26Å; I153-P232 HydrophobicContact CG2-CG 3.91Å; I153-F408 HydrophobicContact CG2-CE1 3.94Å; I153-F408 HydrophobicContact CG2-CZ 4.47Å
154	Y	98.4	Very high	98.3	Very high	16 Å²	16	16.1 Å²	16.1	6%	0.063	8%	0.078	C	C	.	.			trans	-68.5	136.1	-171.1	179.2	-91	0	0	0	112.2	Y119 K122 I150 Q156 Y160 F183 N185 I186	Y119-Y154 AromaticContact CD1-CD1 3.34Å; Y119-Y154 HydrophobicContact CD1-CD1 3.34Å; Y119-Y154 AromaticContact CD1-CE1 3.7Å; Y119-Y154 HydrophobicContact CD1-CE1 3.7Å; Y119-Y154 AromaticContact CD1-CG 3.81Å; Y119-Y154 HydrophobicContact CD1-CG 3.81Å; Y119-Y154 AromaticContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD2 4.24Å; Y119-Y154 HydrophobicContact CE1-CE1 4.28Å; Y119-Y154 AromaticContact CE1-CG 3.58Å; Y119-Y154 HydrophobicContact CE1-CG 3.58Å; K122-Y154 HydrophobicContact CD-CD1 4.01Å; K122-Y154 WeakPolarHBondContact CD-O 3.43Å; K122-Y154 PolarHBondContact NZ-O 3.42Å; I150-Y154 WeakPolarHBondContact O-CA 3.34Å; I150-Y154 WeakPolarHBondContact O-CB 3.4Å; I150-Y154 PolarHBondContact O-N 3.43Å; Y154-Q156 HydrophobicContact CE1-CG 4.03Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.35Å; Y154-Y160 HydrophobicContact CD2-CD2 4.45Å; Y154-Y160 AromaticContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CE2-CE2 4.36Å; Y154-F183 HydrophobicContact CD2-CD1 4.28Å; Y154-F183 HydrophobicContact CD2-CE1 4.43Å; Y154-F183 HydrophobicContact CE1-CD1 4.39Å; Y154-F183 HydrophobicContact CE1-CE1 4.42Å; Y154-F183 HydrophobicContact CE2-CB 4.22Å; Y154-F183 AromaticContact CE2-CD1 3.46Å; Y154-F183 HydrophobicContact CE2-CD1 3.46Å; Y154-F183 VanDerWaalsContact CE2-CD1 3.46Å; Y154-F183 AromaticContact CE2-CE1 3.96Å; Y154-F183 HydrophobicContact CE2-CE1 3.96Å; Y154-F183 AromaticContact CE2-CG 3.89Å; Y154-F183 HydrophobicContact CE2-CG 3.89Å; Y154-F183 AromaticContact CZ-CD1 3.51Å; Y154-F183 AromaticContact CZ-CE1 3.94Å; Y154-F183 WeakPolarHBondContact OH-CD1 3.18Å; Y154-N185 VanDerWaalsContact CE2-OD1 3.28Å; Y154-N185 WeakPolarHBondContact CE2-OD1 3.01Å; Y154-N185 PolarHBondContact OH-OD1 3.23Å; Y154-I186 HydrophobicContact CD2-CD1 4.05Å; Y154-I186 HydrophobicContact CD2-CG1 4.5Å; Y154-I186 HydrophobicContact CE2-CD1 4.25Å; Y154-I186 HydrophobicContact CE2-CG1 4.34Å
155	N	96.8	Very high	98.4	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.043	8%	0.081	C	C	.	.			trans	-149.4	145.5	164.2	-87.3	-47.1	0	0	0	110.2	V124 H157 N158 Y160 N185 N236	V124-N155 VanDerWaalsContact CG2-OD1 3.25Å; V124-N155 WeakPolarHBondContact CG2-OD1 3.48Å; N155-H157 PolarHBondContact O-N 2.81Å; N155-N158 HydrophobicContact CB-CB 4.47Å; N155-N158 PolarHBondContact O-N 2.97Å; N155-Y160 PolarHBondContact N-OH 3.1Å; N155-N185 PolarHBondContact O-ND2 3.47Å; N155-N236 VanDerWaalsContact ND2-CB 3.31Å; N155-N236 WeakPolarHBondContact ND2-CB 3.38Å; N155-N236 PolarHBondContact ND2-ND2 3.01Å; N155-N236 VanDerWaalsContact ND2-ND2 3.17Å; N155-N236 PolarHBondContact ND2-OD1 2.88Å
156	Q	95.9	Very high	98.3	Very high	143 Å²	143	24.2 Å²	24.2	67%	0.668	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24	-173	-64.6	175.5	-3.6	0	0	114.7	Y154 N185	Y154-Q156 HydrophobicContact CE1-CG 4.03Å; Q156-N185 PolarHBondContact O-ND2 3.36Å
157	H	96.9	Very high	98.2	Very high	32 Å²	32	29.1 Å²	29.1	15%	0.148	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-16	-179	56.1	-81.7	0	0	0	112.9	V124 E128 P132 N155 V218	V124-H157 WeakPolarHBondContact CG1-CE1 3.4Å; E128-H157 PolarHBondContact O-CD2 3.46Å; E128-H157 PolarHBondContact O-NE2 3.3Å; E128-H157 VanDerWaalsContact O-NE2 3.14Å; P132-H157 VanDerWaalsContact CB-O 3.3Å; P132-H157 WeakPolarHBondContact CB-O 3.3Å; N155-H157 PolarHBondContact O-N 2.81Å; H157-V218 WeakPolarHBondContact O-CG1 3.42Å
158	N	98.6	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-79.4	177	175.6	-72.3	-13.1	0	0	0	111	I133 N155 Y160 N185 N236	I133-N158 PolarHBondContact N-OD1 2.81Å; I133-N158 VanDerWaalsContact O-CA 3.29Å; I133-N158 WeakPolarHBondContact O-CA 3.41Å; I133-N158 WeakPolarHBondContact O-CB 3.46Å; N155-N158 HydrophobicContact CB-CB 4.47Å; N155-N158 PolarHBondContact O-N 2.97Å; N158-Y160 HydrophobicContact CB-CE2 3.7Å; N158-Y160 WeakPolarHBondContact CB-OH 3.11Å; N158-Y160 PolarHBondContact ND2-OH 3.36Å; N158-N185 WeakPolarHBondContact O-CB 3.25Å; N158-N185 PolarHBondContact O-ND2 3.36Å; N158-N236 PolarHBondContact ND2-OD1 2.86Å
159	I	98.9	Very high	98.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.2	175.8	-172.2	162.9	0	0	0	112.5	I133 A134 Y135 N185 F187 L213 S216 V218 W220	I133-I159 PolarHBondContact O-N 3.34Å; A134-I159 CarbonylContact C-O 3.54Å; A134-I159 VanDerWaalsContact CA-O 3.25Å; A134-I159 WeakPolarHBondContact CA-O 3.32Å; A134-I159 HydrophobicContact CB-CG2 3.62Å; Y135-I159 PolarHBondContact N-O 2.95Å; I159-N185 WeakPolarHBondContact CA-O 3.01Å; I159-F187 HydrophobicContact CD1-CD1 4.36Å; I159-F187 HydrophobicContact CD1-CE1 3.76Å; I159-F187 HydrophobicContact CG1-CD1 4.3Å; I159-F187 HydrophobicContact CG1-CE1 3.79Å; I159-L213 HydrophobicContact CB-CD2 4.44Å; I159-L213 HydrophobicContact CD1-CD2 4.39Å; I159-L213 HydrophobicContact CG1-CD2 4Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; I159-S216 WeakPolarHBondContact CD1-OG 3.44Å; I159-V218 HydrophobicContact CB-CB 4.39Å; I159-V218 HydrophobicContact CB-CG1 4.43Å; I159-V218 HydrophobicContact CB-CG2 4.36Å; I159-V218 HydrophobicContact CD1-CB 4.41Å; I159-V218 HydrophobicContact CD1-CG2 4.19Å; I159-V218 HydrophobicContact CG2-CB 4.4Å; I159-V218 HydrophobicContact CG2-CG1 4.31Å; I159-W220 HydrophobicContact CG2-CB 4.4Å; I159-W220 HydrophobicContact CG2-CG 4.24Å
160	Y	98.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.8	-170.6	-50.4	-96.9	0	0	0	110.2	Y135 I153 Y154 N155 N158 N185 I186 F187	Y135-Y160 AromaticContact CD2-CD1 3.54Å; Y135-Y160 HydrophobicContact CD2-CD1 3.54Å; Y135-Y160 AromaticContact CD2-CE1 3.17Å; Y135-Y160 HydrophobicContact CD2-CE1 3.17Å; Y135-Y160 AromaticContact CD2-CZ 3.92Å; Y135-Y160 HydrophobicContact CE2-CD1 4.43Å; Y135-Y160 AromaticContact CE2-CE1 3.64Å; Y135-Y160 HydrophobicContact CE2-CE1 3.64Å; Y135-Y160 AromaticContact CG-CD1 3.87Å; Y135-Y160 HydrophobicContact CG-CD1 3.87Å; Y135-Y160 AromaticContact CG-CE1 3.87Å; Y135-Y160 HydrophobicContact CG-CE1 3.87Å; I153-Y160 HydrophobicContact CD1-CD1 4.11Å; I153-Y160 HydrophobicContact CD1-CE1 3.9Å; I153-Y160 HydrophobicContact CG1-CD1 4.38Å; I153-Y160 HydrophobicContact CG1-CE1 3.77Å; I153-Y160 PolarHBondContact O-OH 2.95Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.35Å; Y154-Y160 HydrophobicContact CD2-CD2 4.45Å; Y154-Y160 AromaticContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CE2-CE2 4.36Å; N155-Y160 PolarHBondContact N-OH 3.1Å; N158-Y160 HydrophobicContact CB-CE2 3.7Å; N158-Y160 WeakPolarHBondContact CB-OH 3.11Å; N158-Y160 PolarHBondContact ND2-OH 3.36Å; Y160-N185 WeakPolarHBondContact CD2-O 3.4Å; Y160-N185 PolarHBondContact N-O 2.85Å; Y160-I186 HydrophobicContact CD2-CD1 4.36Å; Y160-I186 HydrophobicContact CD2-CG1 3.78Å; Y160-I186 HydrophobicContact CG-CD1 4.43Å; Y160-I186 HydrophobicContact CG-CG1 4.06Å; Y160-I186 WeakPolarHBondContact O-CA 3.34Å; Y160-F187 WeakPolarHBondContact O-CD1 3.21Å; Y160-F187 PolarHBondContact O-N 3.5Å
161	C	98.9	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.3	168.7	178.7	0	0	0	0	109.5	Y135 L137 F187 C209 L213	Y135-C161 PolarHBondContact O-N 3.1Å; L137-C161 PolarHBondContact N-O 3.19Å; C161-F187 WeakPolarHBondContact CA-O 3.49Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.24Å; C161-F187 HydrophobicContact CB-CE2 3.72Å; C161-F187 HydrophobicContact CB-CZ 3.6Å; C161-F187 VanDerWaalsContact SG-CE2 3.59Å; C161-C209 VanDerWaalsContact C-SG 3.6Å; C161-C209 HydrophobicContact CB-CB 3.67Å; C161-C209 WeakPolarHBondContact CB-SG 3.39Å; C161-C209 WeakPolarHBondContact SG-CA 3.25Å; C161-C209 WeakPolarHBondContact SG-CB 3.48Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 3.16Å; C161-L213 HydrophobicContact CB-CD1 4.24Å; C161-L213 HydrophobicContact CB-CD2 4.08Å; C161-L213 HydrophobicContact CB-CG 3.96Å
162	I	98.9	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119	173.4	-57.7	174.3	0	0	0	108.7	L137 V139 I150 M176 I186 F187 I188 A189	L137-I162 HydrophobicContact CB-CG1 4.41Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; V139-I162 HydrophobicContact CG2-CG2 3.85Å; I150-I162 HydrophobicContact CD1-CD1 3.8Å; I162-M176 HydrophobicContact CG2-CB 4.48Å; I162-M176 HydrophobicContact CG2-CG 4.48Å; I162-M176 HydrophobicContact CG2-SD 4.23Å; I162-I186 HydrophobicContact CD1-CG2 3.58Å; I162-I186 HydrophobicContact CG1-CG2 4.02Å; I162-F187 PolarHBondContact N-O 3.47Å; I162-I188 HydrophobicContact CB-CD1 3.83Å; I162-I188 HydrophobicContact CD1-CD1 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.05Å; I162-I188 CarbonylContact O-C 3.6Å; I162-I188 WeakPolarHBondContact O-CA 3.46Å; I162-A189 PolarHBondContact O-N 3.13Å
163	H	98.9	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	99.8	165.7	179.3	-63.8	0	0	0	108.8	L137 V138 V139 A189 K191 L192 E193 A205	L137-H163 PolarHBondContact O-N 3.13Å; V138-H163 WeakPolarHBondContact CA-O 3.48Å; V138-H163 HydrophobicContact CG2-CB 4.39Å; V139-H163 PolarHBondContact N-O 3.17Å; H163-A189 HydrophobicContact CB-CB 4.15Å; H163-K191 PolarHBondContact CD2-O 3.43Å; H163-L192 WeakPolarHBondContact NE2-CA 3.38Å; H163-E193 PolarHBondContact CE1-N 3.08Å; H163-E193 VanDerWaalsContact CE1-N 3.31Å; H163-E193 PolarHBondContact NE2-N 3.19Å; H163-A205 VanDerWaalsContact CE1-CB 3.46Å; H163-A205 WeakPolarHBondContact CE1-CB 3.35Å; H163-A205 WeakPolarHBondContact NE2-CB 3.5Å
164	Y	98.8	Very high	98.2	Very high	27 Å²	27	40.7 Å²	40.7	11%	0.106	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	144.5	168.4	61.3	-105.7	0	0	0	112.1	V139 R166 K173 M176 N177 I188 L192	V139-Y164 CarbonylContact O-C 3.59Å; V139-Y164 VanDerWaalsContact O-CA 3.25Å; V139-Y164 WeakPolarHBondContact O-CA 3.5Å; Y164-R166 PolarHBondContact O-N 3.44Å; Y164-K173 HydrophobicContact CD2-CG 3.89Å; Y164-K173 HydrophobicContact CE2-CB 4.11Å; Y164-K173 HydrophobicContact CE2-CD 4.08Å; Y164-K173 HydrophobicContact CE2-CG 3.67Å; Y164-M176 HydrophobicContact CD1-CB 3.67Å; Y164-M176 HydrophobicContact CD1-CG 4.13Å; Y164-M176 HydrophobicContact CE1-CB 4.21Å; Y164-M176 HydrophobicContact CG-CB 4.45Å; Y164-M176 HydrophobicContact CG-CG 4.48Å; Y164-N177 PolarHBondContact OH-ND2 2.79Å; Y164-N177 VanDerWaalsContact OH-ND2 3.13Å; Y164-I188 HydrophobicContact CD1-CD1 4.07Å; Y164-I188 HydrophobicContact CD1-CG2 4.08Å; Y164-I188 HydrophobicContact CE1-CB 4.49Å; Y164-I188 HydrophobicContact CE1-CD1 3.96Å; Y164-I188 HydrophobicContact CE1-CG1 4.11Å; Y164-I188 HydrophobicContact CE1-CG2 3.54Å; Y164-L192 HydrophobicContact CD2-CD1 3.96Å; Y164-L192 HydrophobicContact CE1-CD1 4.16Å; Y164-L192 HydrophobicContact CE2-CD1 3.36Å; Y164-L192 VanDerWaalsContact CZ-CD1 3.48Å
165	D	98.5	Very high	98.2	Very high	14 Å²	14	39.9 Å²	39.9	8%	0.075	20%	0.196	C	C	.	.			trans	-62.7	132.2	175.8	-167.5	-36.4	0	0	0	111	V139 H140 K167 A168 A194 V195	V139-D165 PolarHBondContact O-N 2.84Å; H140-D165 HydrophobicContact CB-CB 3.67Å; D165-K167 PolarHBondContact O-N 3Å; D165-K167 VanDerWaalsContact O-N 3.12Å; D165-K167 VanDerWaalsContact OD1-CB 3.32Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 WeakPolarHBondContact OD1-CG 3.46Å; D165-K167 PolarHBondContact OD1-N 3.44Å; D165-A168 WeakPolarHBondContact O-CB 3.42Å; D165-A168 PolarHBondContact O-N 2.93Å; D165-A194 WeakPolarHBondContact OD1-CA 3.49Å; D165-V195 PolarHBondContact OD1-N 2.89Å; D165-V195 WeakPolarHBondContact OD2-CB 3.27Å; D165-V195 PolarHBondContact OD2-N 3.47Å; D165-V195 VanDerWaalsContact OD2-N 3.1Å
166	R	98.1	Very high	98.3	Very high	166 Å²	166	39.5 Å²	39.5	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26	175.2	-73.3	-174.5	64	171.1	5.2	113.4	Y164 A168 K173 L192 E193 A194	Y164-R166 PolarHBondContact O-N 3.44Å; R166-A168 VanDerWaalsContact C-N 3.33Å; R166-K173 VanDerWaalsContact O-CE 3.25Å; R166-K173 WeakPolarHBondContact O-CE 3.38Å; R166-K173 PolarHBondContact O-NZ 2.94Å; R166-L192 WeakPolarHBondContact CD-O 3.46Å; R166-L192 HydrophobicContact CG-CB 3.62Å; R166-E193 PolarHBondContact N-O 3.36Å; R166-A194 HydrophobicContact CB-CB 4.41Å
167	K	96.8	Very high	98.4	Very high	103 Å²	103	35.8 Å²	35.8	45%	0.448	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.5	178.1	-58.5	-177.4	-65.5	177.7	0	113.6	D165 A194 V195 E196	D165-K167 PolarHBondContact O-N 3Å; D165-K167 VanDerWaalsContact O-N 3.12Å; D165-K167 VanDerWaalsContact OD1-CB 3.32Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 WeakPolarHBondContact OD1-CG 3.46Å; D165-K167 PolarHBondContact OD1-N 3.44Å; K167-A194 HydrophobicContact CD-CB 4.14Å; K167-A194 HydrophobicContact CG-CB 3.9Å; K167-V195 VanDerWaalsContact CE-O 3.23Å; K167-V195 WeakPolarHBondContact CE-O 3.37Å; K167-V195 PolarHBondContact NZ-O 2.93Å; K167-E196 IonicContact NZ-OE1 3.73Å; K167-E196 PolarHBondContact NZ-OE1 3.43Å; K167-E196 IonicContact NZ-OE2 3.99Å; K167-E196 PolarHBondContact NZ-OE2 2.71Å
168	A	97.7	Very high	98.5	Very high	7 Å²	7	36 Å²	36	6%	0.058	18%	0.181	C	C	.	.	S	Bend	trans	-60.9	156.4	179	0	0	0	0	0	111.6	H140 D165 R166 F172 K173	H140-A168 WeakPolarHBondContact O-CB 3.23Å; D165-A168 WeakPolarHBondContact O-CB 3.42Å; D165-A168 PolarHBondContact O-N 2.93Å; R166-A168 VanDerWaalsContact C-N 3.33Å; A168-F172 HydrophobicContact CB-CB 4.37Å; A168-F172 HydrophobicContact CB-CD1 3.57Å; A168-F172 HydrophobicContact CB-CE1 4.29Å; A168-F172 HydrophobicContact CB-CG 4.27Å; A168-K173 HydrophobicContact CB-CG 4.44Å; A168-K173 WeakPolarHBondContact O-CE 3.5Å; A168-K173 PolarHBondContact O-NZ 3.02Å
169	P	98	Very high	98.5	Very high	72 Å²	72	36 Å²	36	47%	0.468	18%	0.181	S	C	.	.			trans	-56.8	152.6	171.8	-23.7	34.7	0	0	0	112.2	S171 F172 K173	P169-S171 PolarHBondContact O-N 2.96Å; P169-F172 HydrophobicContact CB-CB 4.41Å; P169-F172 WeakPolarHBondContact O-CB 3.45Å; P169-F172 PolarHBondContact O-N 3.1Å; P169-K173 WeakPolarHBondContact O-CG 3.38Å; P169-K173 PolarHBondContact O-N 3.23Å; P169-K173 VanDerWaalsContact O-N 3.09Å
170	D	98.3	Very high	98.4	Very high	113 Å²	113	36 Å²	36	60%	0.604	18%	0.183	S	C	*	.	H	α-helix	trans	-67.9	-36	-177	-68.6	-26	0	0	0	112.6	F172 K173 V174	D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.7Å; D170-K173 PolarHBondContact O-N 2.92Å; D170-K173 VanDerWaalsContact O-N 3.14Å; D170-K173 IonicContact OD1-NZ 2.69Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 2.9Å
171	S	98	Very high	98.4	Very high	37 Å²	37	43.9 Å²	43.9	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-56.4	-46.3	171.7	51.4	0	0	0	0	111.6	D101 P169 K173 V174 A175	D101-S171 WeakPolarHBondContact OD1-CB 3.49Å; P169-S171 PolarHBondContact O-N 2.96Å; S171-K173 PolarHBondContact O-N 2.91Å; S171-V174 PolarHBondContact O-N 2.85Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3.27Å
172	F	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-46.6	173.9	-174.5	-97	0	0	0	112.1	D100 V139 K141 A143 V146 A168 P169 D170 V174 A175 M176	D100-F172 WeakPolarHBondContact OD2-CB 3.32Å; V139-F172 HydrophobicContact CB-CZ 3.98Å; V139-F172 HydrophobicContact CG2-CE1 4.01Å; V139-F172 HydrophobicContact CG2-CZ 3.77Å; K141-F172 VanDerWaalsContact CA-CE2 3.49Å; K141-F172 VanDerWaalsContact O-CE2 3.26Å; K141-F172 WeakPolarHBondContact O-CE2 2.95Å; A143-F172 HydrophobicContact CB-CD2 3.85Å; A143-F172 HydrophobicContact CB-CE2 4.02Å; V146-F172 HydrophobicContact CG2-CE2 4.32Å; V146-F172 HydrophobicContact CG2-CZ 4.28Å; A168-F172 HydrophobicContact CB-CB 4.37Å; A168-F172 HydrophobicContact CB-CD1 3.57Å; A168-F172 HydrophobicContact CB-CE1 4.29Å; A168-F172 HydrophobicContact CB-CG 4.27Å; P169-F172 HydrophobicContact CB-CB 4.41Å; P169-F172 WeakPolarHBondContact O-CB 3.45Å; P169-F172 PolarHBondContact O-N 3.1Å; D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.7Å; F172-V174 PolarHBondContact O-N 3.5Å; F172-A175 WeakPolarHBondContact O-CB 3.14Å; F172-A175 PolarHBondContact O-N 2.85Å; F172-M176 HydrophobicContact CD1-CG 4.04Å; F172-M176 HydrophobicContact CD2-CE 4.48Å; F172-M176 HydrophobicContact CE1-CG 3.6Å; F172-M176 HydrophobicContact CE1-SD 4.24Å; F172-M176 HydrophobicContact CE2-CE 3.93Å; F172-M176 HydrophobicContact CE2-CG 4.43Å; F172-M176 HydrophobicContact CE2-SD 4.31Å; F172-M176 HydrophobicContact CZ-CE 4.07Å; F172-M176 HydrophobicContact CZ-CG 3.81Å; F172-M176 HydrophobicContact CZ-SD 3.82Å; F172-M176 WeakPolarHBondContact O-CG 3.45Å; F172-M176 PolarHBondContact O-N 3.43Å
173	K	98.8	Very high	98.4	Very high	45 Å²	45	44.8 Å²	44.8	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-44.3	178.5	-63.7	175	-166.2	138.8	0	111.1	Y164 R166 A168 P169 D170 S171 A175 M176 N177	Y164-K173 HydrophobicContact CD2-CG 3.89Å; Y164-K173 HydrophobicContact CE2-CB 4.11Å; Y164-K173 HydrophobicContact CE2-CD 4.08Å; Y164-K173 HydrophobicContact CE2-CG 3.67Å; R166-K173 VanDerWaalsContact O-CE 3.25Å; R166-K173 WeakPolarHBondContact O-CE 3.38Å; R166-K173 PolarHBondContact O-NZ 2.94Å; A168-K173 HydrophobicContact CB-CG 4.44Å; A168-K173 WeakPolarHBondContact O-CE 3.5Å; A168-K173 PolarHBondContact O-NZ 3.02Å; P169-K173 WeakPolarHBondContact O-CG 3.38Å; P169-K173 PolarHBondContact O-N 3.23Å; P169-K173 VanDerWaalsContact O-N 3.09Å; D170-K173 PolarHBondContact O-N 2.92Å; D170-K173 VanDerWaalsContact O-N 3.14Å; D170-K173 IonicContact OD1-NZ 2.69Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; S171-K173 PolarHBondContact O-N 2.91Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-M176 PolarHBondContact O-N 2.87Å; K173-N177 PolarHBondContact O-N 2.03Å; K173-N177 PolarHBondContact O-ND2 2.68Å
174	V	98.7	Very high	98.3	Very high	65 Å²	65	51 Å²	51	39%	0.394	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.6	176.8	0	0	0	0	110.1	V104 D170 S171 F172 M176 N177 N178	V104-V174 HydrophobicContact CB-CG1 4.43Å; V104-V174 HydrophobicContact CG1-CG1 3.77Å; V104-V174 HydrophobicContact CG2-CB 3.94Å; V104-V174 HydrophobicContact CG2-CG1 3.76Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 2.9Å; S171-V174 PolarHBondContact O-N 2.85Å; F172-V174 PolarHBondContact O-N 3.5Å; V174-M176 PolarHBondContact O-N 2.96Å; V174-N177 PolarHBondContact O-N 3.28Å; V174-N178 PolarHBondContact O-N 3.47Å
175	A	98.6	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-46.3	176.5	0	0	0	0	0	111.9	V103 V104 A143 S171 F172 K173 N177 N178 L179	V103-A175 HydrophobicContact CB-CB 4.02Å; V103-A175 HydrophobicContact CG1-CB 3.89Å; V104-A175 HydrophobicContact CG2-CB 3.91Å; A143-A175 HydrophobicContact CB-CB 3.73Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3.27Å; F172-A175 WeakPolarHBondContact O-CB 3.14Å; F172-A175 PolarHBondContact O-N 2.85Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-N177 PolarHBondContact O-N 2.87Å; A175-N178 PolarHBondContact O-N 3.2Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.33Å
176	M	98.8	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-41.1	178	-65.5	-56.2	99.8	0	0	112.3	V139 A143 V146 I162 Y164 F172 K173 V174 L179 A180 I188	V139-M176 HydrophobicContact CG2-CG 4.47Å; V139-M176 HydrophobicContact CG2-SD 4.01Å; A143-M176 HydrophobicContact CB-CE 3.61Å; V146-M176 HydrophobicContact CB-CE 4.01Å; V146-M176 HydrophobicContact CB-SD 4.15Å; V146-M176 HydrophobicContact CG1-CE 4.15Å; V146-M176 HydrophobicContact CG1-SD 3.73Å; V146-M176 HydrophobicContact CG2-CE 4.4Å; V146-M176 HydrophobicContact CG2-SD 4.37Å; I162-M176 HydrophobicContact CG2-CB 4.48Å; I162-M176 HydrophobicContact CG2-CG 4.48Å; I162-M176 HydrophobicContact CG2-SD 4.23Å; Y164-M176 HydrophobicContact CD1-CB 3.67Å; Y164-M176 HydrophobicContact CD1-CG 4.13Å; Y164-M176 HydrophobicContact CE1-CB 4.21Å; Y164-M176 HydrophobicContact CG-CB 4.45Å; Y164-M176 HydrophobicContact CG-CG 4.48Å; F172-M176 HydrophobicContact CD1-CG 4.04Å; F172-M176 HydrophobicContact CD2-CE 4.48Å; F172-M176 HydrophobicContact CE1-CG 3.6Å; F172-M176 HydrophobicContact CE1-SD 4.24Å; F172-M176 HydrophobicContact CE2-CE 3.93Å; F172-M176 HydrophobicContact CE2-CG 4.43Å; F172-M176 HydrophobicContact CE2-SD 4.31Å; F172-M176 HydrophobicContact CZ-CE 4.07Å; F172-M176 HydrophobicContact CZ-CG 3.81Å; F172-M176 HydrophobicContact CZ-SD 3.82Å; F172-M176 WeakPolarHBondContact O-CG 3.45Å; F172-M176 PolarHBondContact O-N 3.43Å; K173-M176 PolarHBondContact O-N 2.87Å; V174-M176 PolarHBondContact O-N 2.96Å; M176-L179 HydrophobicContact CE-CD1 3.67Å; M176-L179 HydrophobicContact SD-CD1 4.48Å; M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.13Å; M176-I188 HydrophobicContact CB-CD1 4.29Å
177	N	98.8	Very high	98.3	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-42.1	177.3	-79	-72.7	0	0	0	112	Y164 K173 V174 A175 A180 K181	Y164-N177 PolarHBondContact OH-ND2 2.79Å; Y164-N177 VanDerWaalsContact OH-ND2 3.13Å; K173-N177 PolarHBondContact O-N 2.03Å; K173-N177 PolarHBondContact O-ND2 2.68Å; V174-N177 PolarHBondContact O-N 3.28Å; A175-N177 PolarHBondContact O-N 2.87Å; N177-A180 PolarHBondContact O-N 3.44Å; N177-K181 WeakPolarHBondContact O-CB 3.17Å; N177-K181 PolarHBondContact O-N 2.69Å
178	N	98.4	Very high	98.4	Very high	35 Å²	35	41.4 Å²	41.4	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-45.5	176.6	-72.7	-0.5	0	0	0	111.5	V104 T107 V174 A175 A180 K181 C182	V104-N178 PolarHBondContact O-ND2 3.3Å; T107-N178 WeakPolarHBondContact OG1-CB 3.19Å; V174-N178 PolarHBondContact O-N 3.47Å; A175-N178 PolarHBondContact O-N 3.2Å; N178-A180 VanDerWaalsContact C-N 3.35Å; N178-A180 PolarHBondContact O-N 3.4Å; N178-K181 PolarHBondContact O-N 3.26Å; N178-C182 PolarHBondContact O-N 3.49Å; N178-C182 PolarHBondContact O-SG 2.83Å; N178-C182 VanDerWaalsContact O-SG 3.37Å
179	L	98.3	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.4	-51.1	174.2	-78.5	171.2	0	0	0	110.9	V103 T107 Y113 E147 A175 M176 K181 C182 F183	V103-L179 HydrophobicContact CG1-CD1 4.08Å; V103-L179 HydrophobicContact CG1-CG 4.22Å; T107-L179 HydrophobicContact CG2-CD2 3.59Å; T107-L179 HydrophobicContact CG2-CG 4.04Å; Y113-L179 HydrophobicContact CE1-CD2 4.06Å; E147-L179 HydrophobicContact CB-CD1 4.16Å; E147-L179 HydrophobicContact CB-CD2 4.34Å; E147-L179 HydrophobicContact CG-CD1 4.48Å; E147-L179 HydrophobicContact CG-CD2 3.77Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.33Å; M176-L179 HydrophobicContact CE-CD1 3.67Å; M176-L179 HydrophobicContact SD-CD1 4.48Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-K181 PolarHBondContact O-N 3.01Å; L179-C182 PolarHBondContact O-N 2.99Å; L179-F183 WeakPolarHBondContact O-CD2 3.32Å
180	A	98.6	Very high	98.5	Very high	8 Å²	8	41.9 Å²	41.9	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-43.9	178.5	0	0	0	0	0	112.1	M176 N177 N178 C182 F183 I186 I188	M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.13Å; N177-A180 PolarHBondContact O-N 3.44Å; N178-A180 VanDerWaalsContact C-N 3.35Å; N178-A180 PolarHBondContact O-N 3.4Å; A180-C182 PolarHBondContact O-N 3Å; A180-F183 PolarHBondContact O-N 3.46Å; A180-F183 VanDerWaalsContact O-N 3.12Å; A180-I186 HydrophobicContact CB-CG2 4.07Å; A180-I188 HydrophobicContact CB-CD1 3.75Å; A180-I188 HydrophobicContact CB-CG1 3.97Å
181	K	98.3	Very high	98.5	Very high	165 Å²	165	42.8 Å²	42.8	72%	0.717	23%	0.233	S	C	*	.	H	α-helix	trans	-59.8	-30.9	178.6	-178.1	-175.3	173.4	-166.8	0	112.8	N177 N178 L179 F183	N177-K181 WeakPolarHBondContact O-CB 3.17Å; N177-K181 PolarHBondContact O-N 2.69Å; N178-K181 PolarHBondContact O-N 3.26Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-K181 PolarHBondContact O-N 3.01Å; K181-F183 PolarHBondContact O-N 3.28Å
182	C	98.5	Very high	98.6	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.3	179.5	-68.5	0	0	0	0	114.3	C110 Y113 Q114 N178 L179 A180	C110-C182 WeakPolarHBondContact CA-SG 3.39Å; C110-C182 HydrophobicContact CB-CB 3.66Å; C110-C182 WeakPolarHBondContact CB-SG 3.43Å; C110-C182 WeakPolarHBondContact SG-CA 3.33Å; C110-C182 WeakPolarHBondContact SG-CB 3.25Å; C110-C182 CovalentContact SG-SG 2.06Å; C110-C182 PolarHBondContact SG-SG 3.16Å; Y113-C182 HydrophobicContact CD1-CB 4.18Å; Q114-C182 PolarHBondContact NE2-O 3.04Å; N178-C182 PolarHBondContact O-N 3.49Å; N178-C182 PolarHBondContact O-SG 2.83Å; N178-C182 VanDerWaalsContact O-SG 3.37Å; L179-C182 PolarHBondContact O-N 2.99Å; A180-C182 PolarHBondContact O-N 3Å
183	F	98.3	Very high	98.6	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.057	24%	0.241	C	C	.	.			trans	-136.3	144.4	178.5	-55.1	-83	0	0	0	111.4	Y113 Q114 Y119 Y154 L179 A180 K181 N185 I186	Y113-F183 HydrophobicContact CD1-CZ 4.43Å; Y113-F183 AromaticContact CE1-CE2 3.88Å; Y113-F183 HydrophobicContact CE1-CE2 3.88Å; Y113-F183 AromaticContact CE1-CZ 3.7Å; Y113-F183 HydrophobicContact CE1-CZ 3.7Å; Q114-F183 HydrophobicContact CG-CE1 4.08Å; Q114-F183 HydrophobicContact CG-CZ 4.46Å; Y119-F183 AromaticContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CZ 4.13Å; Y119-F183 HydrophobicContact CD2-CE1 4.14Å; Y119-F183 HydrophobicContact CD2-CZ 4.1Å; Y119-F183 AromaticContact CE1-CE1 3.72Å; Y119-F183 HydrophobicContact CE1-CE1 3.72Å; Y119-F183 AromaticContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE2-CE1 4.09Å; Y119-F183 AromaticContact CE2-CZ 3.61Å; Y119-F183 HydrophobicContact CE2-CZ 3.61Å; Y119-F183 AromaticContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CZ 4.32Å; Y119-F183 AromaticContact CZ-CE1 3.89Å; Y119-F183 AromaticContact CZ-CZ 3.37Å; Y154-F183 HydrophobicContact CD2-CD1 4.28Å; Y154-F183 HydrophobicContact CD2-CE1 4.43Å; Y154-F183 HydrophobicContact CE1-CD1 4.39Å; Y154-F183 HydrophobicContact CE1-CE1 4.42Å; Y154-F183 HydrophobicContact CE2-CB 4.22Å; Y154-F183 AromaticContact CE2-CD1 3.46Å; Y154-F183 HydrophobicContact CE2-CD1 3.46Å; Y154-F183 VanDerWaalsContact CE2-CD1 3.46Å; Y154-F183 AromaticContact CE2-CE1 3.96Å; Y154-F183 HydrophobicContact CE2-CE1 3.96Å; Y154-F183 AromaticContact CE2-CG 3.89Å; Y154-F183 HydrophobicContact CE2-CG 3.89Å; Y154-F183 AromaticContact CZ-CD1 3.51Å; Y154-F183 AromaticContact CZ-CE1 3.94Å; Y154-F183 WeakPolarHBondContact OH-CD1 3.18Å; L179-F183 WeakPolarHBondContact O-CD2 3.32Å; A180-F183 PolarHBondContact O-N 3.46Å; A180-F183 VanDerWaalsContact O-N 3.12Å; K181-F183 PolarHBondContact O-N 3.28Å; F183-N185 VanDerWaalsContact C-N 3.27Å; F183-N185 PolarHBondContact O-N 2.86Å; F183-I186 HydrophobicContact CB-CB 4.02Å; F183-I186 HydrophobicContact CB-CD1 4.06Å; F183-I186 HydrophobicContact CB-CG1 3.67Å; F183-I186 HydrophobicContact CD2-CB 4.44Å; F183-I186 HydrophobicContact CD2-CD1 3.41Å; F183-I186 VanDerWaalsContact CD2-CD1 3.41Å; F183-I186 HydrophobicContact CD2-CG1 3.99Å; F183-I186 HydrophobicContact CE2-CD1 4Å; F183-I186 HydrophobicContact CG-CD1 3.82Å; F183-I186 HydrophobicContact CG-CG1 4.01Å
184	S	97.3	Very high	98.5	Very high	129 Å²	129	45.1 Å²	45.1	90%	0.902	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18	177.7	58.6	0	0	0	0	113.5
185	N	98.4	Very high	98.4	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	11.5	-175.5	66.4	-30.1	0	0	0	113.4	Y154 N155 Q156 N158 I159 Y160 F183	Y154-N185 VanDerWaalsContact CE2-OD1 3.28Å; Y154-N185 WeakPolarHBondContact CE2-OD1 3.01Å; Y154-N185 PolarHBondContact OH-OD1 3.23Å; N155-N185 PolarHBondContact O-ND2 3.47Å; Q156-N185 PolarHBondContact O-ND2 3.36Å; N158-N185 WeakPolarHBondContact O-CB 3.25Å; N158-N185 PolarHBondContact O-ND2 3.36Å; I159-N185 WeakPolarHBondContact CA-O 3.01Å; Y160-N185 WeakPolarHBondContact CD2-O 3.4Å; Y160-N185 PolarHBondContact N-O 2.85Å; F183-N185 VanDerWaalsContact C-N 3.27Å; F183-N185 PolarHBondContact O-N 2.86Å
186	I	98.8	Very high	98.3	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.4	168.6	-52	-168	0	0	0	108.2	I150 Y154 Y160 I162 A180 F183	I150-I186 HydrophobicContact CG2-CD1 3.62Å; Y154-I186 HydrophobicContact CD2-CD1 4.05Å; Y154-I186 HydrophobicContact CD2-CG1 4.5Å; Y154-I186 HydrophobicContact CE2-CD1 4.25Å; Y154-I186 HydrophobicContact CE2-CG1 4.34Å; Y160-I186 HydrophobicContact CD2-CD1 4.36Å; Y160-I186 HydrophobicContact CD2-CG1 3.78Å; Y160-I186 HydrophobicContact CG-CD1 4.43Å; Y160-I186 HydrophobicContact CG-CG1 4.06Å; Y160-I186 WeakPolarHBondContact O-CA 3.34Å; I162-I186 HydrophobicContact CD1-CG2 3.58Å; I162-I186 HydrophobicContact CG1-CG2 4.02Å; A180-I186 HydrophobicContact CB-CG2 4.07Å; F183-I186 HydrophobicContact CB-CB 4.02Å; F183-I186 HydrophobicContact CB-CD1 4.06Å; F183-I186 HydrophobicContact CB-CG1 3.67Å; F183-I186 HydrophobicContact CD2-CB 4.44Å; F183-I186 HydrophobicContact CD2-CD1 3.41Å; F183-I186 VanDerWaalsContact CD2-CD1 3.41Å; F183-I186 HydrophobicContact CD2-CG1 3.99Å; F183-I186 HydrophobicContact CE2-CD1 4Å; F183-I186 HydrophobicContact CG-CD1 3.82Å; F183-I186 HydrophobicContact CG-CG1 4.01Å
187	F	98.9	Very high	98.1	Very high	56 Å²	56	50.5 Å²	50.5	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155	177.5	65.1	-89.6	0	0	0	111.9	I159 Y160 C161 I162 D212 L213	I159-F187 HydrophobicContact CD1-CD1 4.36Å; I159-F187 HydrophobicContact CD1-CE1 3.76Å; I159-F187 HydrophobicContact CG1-CD1 4.3Å; I159-F187 HydrophobicContact CG1-CE1 3.79Å; Y160-F187 WeakPolarHBondContact O-CD1 3.21Å; Y160-F187 PolarHBondContact O-N 3.5Å; C161-F187 WeakPolarHBondContact CA-O 3.49Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.24Å; C161-F187 HydrophobicContact CB-CE2 3.72Å; C161-F187 HydrophobicContact CB-CZ 3.6Å; C161-F187 VanDerWaalsContact SG-CE2 3.59Å; I162-F187 PolarHBondContact N-O 3.47Å; F187-D212 HydrophobicContact CE2-CB 3.55Å; F187-D212 HydrophobicContact CZ-CB 3.96Å; F187-L213 HydrophobicContact CE1-CD2 4Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.22Å
188	I	98.9	Very high	98	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.179	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.5	170.8	-55.9	-52.3	0	0	0	109	I162 Y164 M176 A180 S190 L192	I162-I188 HydrophobicContact CB-CD1 3.83Å; I162-I188 HydrophobicContact CD1-CD1 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.05Å; I162-I188 CarbonylContact O-C 3.6Å; I162-I188 WeakPolarHBondContact O-CA 3.46Å; Y164-I188 HydrophobicContact CD1-CD1 4.07Å; Y164-I188 HydrophobicContact CD1-CG2 4.08Å; Y164-I188 HydrophobicContact CE1-CB 4.49Å; Y164-I188 HydrophobicContact CE1-CD1 3.96Å; Y164-I188 HydrophobicContact CE1-CG1 4.11Å; Y164-I188 HydrophobicContact CE1-CG2 3.54Å; M176-I188 HydrophobicContact CB-CD1 4.29Å; A180-I188 HydrophobicContact CB-CD1 3.75Å; A180-I188 HydrophobicContact CB-CG1 3.97Å; I188-S190 PolarHBondContact O-N 2.76Å; I188-L192 HydrophobicContact CG2-CD1 4.24Å; I188-L192 HydrophobicContact CG2-CD2 4.07Å
189	A	98.9	Very high	98	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.041	25%	0.253	C	S	.	.			trans	-51.9	135.4	175.4	0	0	0	0	0	111	I162 H163 K191 L192	I162-A189 PolarHBondContact O-N 3.13Å; H163-A189 HydrophobicContact CB-CB 4.15Å; A189-K191 PolarHBondContact O-N 2.84Å; A189-L192 HydrophobicContact CB-CD2 4.06Å
190	S	98.7	Very high	98	Very high	84 Å²	84	49 Å²	49	59%	0.587	26%	0.258	S	S	*	.	S	Bend	trans	-64.7	-22	-179.7	65.3	0	0	0	0	113	I188 D212	I188-S190 PolarHBondContact O-N 2.76Å; S190-D212 WeakPolarHBondContact CB-OD2 3.49Å; S190-D212 PolarHBondContact N-OD2 2.92Å; S190-D212 PolarHBondContact OG-OD1 2.79Å; S190-D212 PolarHBondContact OG-OD2 3.18Å
191	K	98.8	Very high	98	Very high	133 Å²	133	49 Å²	49	58%	0.578	26%	0.257	S	S	*	.	S	Bend	trans	-126.9	124.9	174.4	-66.2	-178.4	-177.6	178.7	0	109.7	H163 A189 N208	H163-K191 PolarHBondContact CD2-O 3.43Å; A189-K191 PolarHBondContact O-N 2.84Å; K191-N208 HydrophobicContact CB-CB 4.22Å; K191-N208 WeakPolarHBondContact O-CB 3.32Å; K191-N208 PolarHBondContact O-ND2 3.45Å; K191-N208 VanDerWaalsContact O-ND2 3.08Å
192	L	98.8	Very high	98	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.183	23%	0.228	C	C	.	.			trans	-112.3	136.1	178.3	-59.1	172.1	0	0	0	110.1	H163 Y164 R166 I188 A189	H163-L192 WeakPolarHBondContact NE2-CA 3.38Å; Y164-L192 HydrophobicContact CD2-CD1 3.96Å; Y164-L192 HydrophobicContact CE1-CD1 4.16Å; Y164-L192 HydrophobicContact CE2-CD1 3.36Å; Y164-L192 VanDerWaalsContact CZ-CD1 3.48Å; R166-L192 WeakPolarHBondContact CD-O 3.46Å; R166-L192 HydrophobicContact CG-CB 3.62Å; I188-L192 HydrophobicContact CG2-CD1 4.24Å; I188-L192 HydrophobicContact CG2-CD2 4.07Å; A189-L192 HydrophobicContact CB-CD2 4.06Å
193	E	98.5	Very high	98	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.248	23%	0.226	C	C	.	.			trans	-99.8	150.1	177.5	-58	-55.1	146.9	0	0	111.3	H163 R166 V195 Q204 N208	H163-E193 PolarHBondContact CE1-N 3.08Å; H163-E193 VanDerWaalsContact CE1-N 3.31Å; H163-E193 PolarHBondContact NE2-N 3.19Å; R166-E193 PolarHBondContact N-O 3.36Å; E193-V195 HydrophobicContact CB-CG2 4.15Å; E193-V195 PolarHBondContact O-N 2.97Å; E193-Q204 HydrophobicContact CG-CB 4.07Å; E193-Q204 HydrophobicContact CG-CG 3.8Å; E193-Q204 WeakPolarHBondContact OE1-CG 3.45Å; E193-N208 PolarHBondContact OE1-ND2 2.93Å
194	A	97.6	Very high	98	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	24%	0.235	S	C	.	.			trans	-84.6	101	160.1	0	0	0	0	0	107.4	D165 R166 K167 E196	D165-A194 WeakPolarHBondContact OD1-CA 3.49Å; R166-A194 HydrophobicContact CB-CB 4.41Å; K167-A194 HydrophobicContact CD-CB 4.14Å; K167-A194 HydrophobicContact CG-CB 3.9Å; A194-E196 PolarHBondContact O-N 3.29Å
195	V	97.1	Very high	98.1	Very high	24 Å²	24	38 Å²	38	15%	0.145	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-81.6	118.8	-168.8	-176.9	0	0	0	0	109.9	D165 K167 E193 R202 A205	D165-V195 PolarHBondContact OD1-N 2.89Å; D165-V195 WeakPolarHBondContact OD2-CB 3.27Å; D165-V195 PolarHBondContact OD2-N 3.47Å; D165-V195 VanDerWaalsContact OD2-N 3.1Å; K167-V195 VanDerWaalsContact CE-O 3.23Å; K167-V195 WeakPolarHBondContact CE-O 3.37Å; K167-V195 PolarHBondContact NZ-O 2.93Å; E193-V195 HydrophobicContact CB-CG2 4.15Å; E193-V195 PolarHBondContact O-N 2.97Å; V195-R202 HydrophobicContact CG1-CB 3.92Å; V195-A205 HydrophobicContact CG2-CB 4.23Å
196	E	96.1	Very high	98.1	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-98.8	142.2	170	-57.7	-62.8	166	0	0	110.4	K167 A194 H199 S201 L271	K167-E196 IonicContact NZ-OE1 3.73Å; K167-E196 PolarHBondContact NZ-OE1 3.43Å; K167-E196 IonicContact NZ-OE2 3.99Å; K167-E196 PolarHBondContact NZ-OE2 2.71Å; A194-E196 PolarHBondContact O-N 3.29Å; E196-H199 HydrophobicContact CB-CB 3.75Å; E196-H199 WeakPolarHBondContact O-CB 3.35Å; E196-H199 PolarHBondContact O-N 3.26Å; E196-S201 PolarHBondContact N-OG 3.23Å; E196-L271 HydrophobicContact CB-CD1 4Å; E196-L271 HydrophobicContact CG-CD1 4.18Å; E196-L271 HydrophobicContact CG-CD2 3.92Å
197	Y	95	Very high	98.1	Very high	127 Å²	127	37.8 Å²	37.8	50%	0.498	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	137.4	-178.6	178.1	-102.4	0	0	0	111.1	H199 L281 P282	Y197-H199 PolarHBondContact O-N 3.09Å; Y197-L281 HydrophobicContact CD1-CD2 3.8Å; Y197-L281 HydrophobicContact CG-CD2 4.47Å; Y197-P282 WeakPolarHBondContact O-CD 3.19Å
198	A	96.3	Very high	98.1	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	7.4	-176	0	0	0	0	0	115.6	P282 Y332 S333	A198-P282 HydrophobicContact CB-CG 4.28Å; A198-P282 WeakPolarHBondContact O-CG 3.36Å; A198-Y332 HydrophobicContact CB-CD1 4.18Å; A198-Y332 HydrophobicContact CB-CD2 4.32Å; A198-Y332 HydrophobicContact CB-CE1 3.73Å; A198-Y332 HydrophobicContact CB-CE2 3.88Å; A198-Y332 HydrophobicContact CB-CG 4.45Å; A198-S333 VanDerWaalsContact CB-OG 3.31Å; A198-S333 WeakPolarHBondContact CB-OG 3.32Å; A198-S333 WeakPolarHBondContact O-CA 3.22Å; A198-S333 PolarHBondContact O-N 3.45Å
199	H	97.8	Very high	98.1	Very high	45 Å²	45	34 Å²	34	21%	0.208	17%	0.173	C	C	.	.	S	Bend	trans	-97	157.6	-178.3	-176.6	-109.6	0	0	0	111.6	E196 Y197 S201 R202 L271 P282	E196-H199 HydrophobicContact CB-CB 3.75Å; E196-H199 WeakPolarHBondContact O-CB 3.35Å; E196-H199 PolarHBondContact O-N 3.26Å; Y197-H199 PolarHBondContact O-N 3.09Å; H199-S201 WeakPolarHBondContact ND1-CB 3.49Å; H199-S201 PolarHBondContact ND1-N 3.21Å; H199-S201 PolarHBondContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 3.43Å; H199-R202 PolarHBondContact O-N 3.22Å; H199-L271 HydrophobicContact CB-CD1 4.5Å; H199-P282 HydrophobicContact CB-CG 3.94Å
200	I	98.2	Very high	98.1	Very high	19 Å²	19	33.7 Å²	33.7	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-54	-24.7	178.6	-167.5	71.5	0	0	0	114	R202 L203 Q204 F325 K329 P334	I200-R202 PolarHBondContact O-N 2.59Å; I200-R202 VanDerWaalsContact O-N 3.14Å; I200-L203 HydrophobicContact CD1-CB 4.2Å; I200-L203 HydrophobicContact CD1-CD2 3.72Å; I200-L203 HydrophobicContact CD1-CG 4.43Å; I200-L203 WeakPolarHBondContact O-CB 3.44Å; I200-L203 PolarHBondContact O-N 3.22Å; I200-Q204 PolarHBondContact O-N 3.24Å; I200-F325 HydrophobicContact CD1-CD2 4.49Å; I200-F325 HydrophobicContact CD1-CE2 3.87Å; I200-F325 HydrophobicContact CG1-CE2 4.14Å; I200-F325 HydrophobicContact CG1-CZ 4.32Å; I200-K329 HydrophobicContact CG1-CG 4.21Å; I200-P334 HydrophobicContact CB-CG 4.01Å; I200-P334 HydrophobicContact CD1-CB 3.67Å; I200-P334 HydrophobicContact CD1-CG 3.48Å; I200-P334 VanDerWaalsContact CD1-CG 3.48Å; I200-P334 HydrophobicContact CG1-CG 4.34Å
201	S	98.3	Very high	98.1	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-54.4	-31.1	174.3	48	0	0	0	0	113.5	E196 H199 A205	E196-S201 PolarHBondContact N-OG 3.23Å; H199-S201 WeakPolarHBondContact ND1-CB 3.49Å; H199-S201 PolarHBondContact ND1-N 3.21Å; H199-S201 PolarHBondContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 3.43Å; S201-A205 PolarHBondContact O-N 3.11Å
202	R	98.3	Very high	98.1	Very high	32 Å²	32	26 Å²	26	12%	0.121	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-43.8	175.5	176.1	59.5	-168.6	82	1.2	111.2	V195 H199 I200 D206 D335	V195-R202 HydrophobicContact CG1-CB 3.92Å; H199-R202 PolarHBondContact O-N 3.22Å; I200-R202 PolarHBondContact O-N 2.59Å; I200-R202 VanDerWaalsContact O-N 3.14Å; R202-D206 IonicContact CZ-OD2 2.91Å; R202-D206 IonicContact NH1-OD1 3.18Å; R202-D206 IonicContact NH1-OD2 3.96Å; R202-D206 PolarHBondContact NH1-OD2 3.23Å; R202-D206 IonicContact NH2-OD2 2.64Å; R202-D206 PolarHBondContact NH2-OD2 3.07Å; R202-D335 HydrophobicContact CG-CB 4.29Å
203	L	98.4	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-42.6	175.6	175.7	60.7	0	0	0	111.3	I200 A205 D206 L207 F325 P334 F338 W339	I200-L203 HydrophobicContact CD1-CB 4.2Å; I200-L203 HydrophobicContact CD1-CD2 3.72Å; I200-L203 HydrophobicContact CD1-CG 4.43Å; I200-L203 WeakPolarHBondContact O-CB 3.44Å; I200-L203 PolarHBondContact O-N 3.22Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.31Å; L203-D206 PolarHBondContact O-N 3.26Å; L203-L207 HydrophobicContact CD1-CD1 4.49Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 PolarHBondContact O-N 2.8Å; L203-L207 VanDerWaalsContact O-N 3.07Å; L203-F325 HydrophobicContact CD2-CD2 4.02Å; L203-F325 HydrophobicContact CD2-CE2 3.93Å; L203-F325 HydrophobicContact CG-CE2 4.26Å; L203-P334 HydrophobicContact CD2-CB 4.25Å; L203-F338 HydrophobicContact CD1-CB 4.34Å; L203-F338 HydrophobicContact CD1-CD1 3.68Å; L203-F338 HydrophobicContact CD1-CE1 4.24Å; L203-F338 HydrophobicContact CD1-CG 4.18Å; L203-F338 HydrophobicContact CD2-CB 3.67Å; L203-F338 HydrophobicContact CD2-CD1 3.71Å; L203-F338 HydrophobicContact CD2-CD2 3.81Å; L203-F338 HydrophobicContact CD2-CE1 4.24Å; L203-F338 HydrophobicContact CD2-CE2 4.36Å; L203-F338 HydrophobicContact CD2-CG 3.45Å; L203-F338 VanDerWaalsContact CD2-CG 3.45Å; L203-F338 HydrophobicContact CG-CD1 4.31Å; L203-F338 HydrophobicContact CG-CG 4.47Å; L203-W339 HydrophobicContact CD1-CD2 4.38Å; L203-W339 HydrophobicContact CD1-CH2 4.12Å; L203-W339 HydrophobicContact CD1-CZ2 3.26Å
204	Q	98.8	Very high	98.1	Very high	52 Å²	52	23.9 Å²	23.9	24%	0.243	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-36.1	178.7	-174.4	64.1	67.4	0	0	112.4	E193 I200 D206 L207 N208	E193-Q204 HydrophobicContact CG-CB 4.07Å; E193-Q204 HydrophobicContact CG-CG 3.8Å; E193-Q204 WeakPolarHBondContact OE1-CG 3.45Å; I200-Q204 PolarHBondContact O-N 3.24Å; Q204-D206 PolarHBondContact O-N 2.85Å; Q204-L207 PolarHBondContact O-N 3.17Å; Q204-N208 PolarHBondContact NE2-OD1 3.11Å; Q204-N208 PolarHBondContact O-N 3.3Å; Q204-N208 PolarHBondContact O-ND2 3.43Å; Q204-N208 PolarHBondContact O-OD1 2.7Å
205	A	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-44.5	175.5	0	0	0	0	0	112.7	V138 H163 V195 S201 L203 N208 C209	V138-A205 HydrophobicContact CG1-CB 3.92Å; V138-A205 HydrophobicContact CG2-CB 4.08Å; H163-A205 VanDerWaalsContact CE1-CB 3.46Å; H163-A205 WeakPolarHBondContact CE1-CB 3.35Å; H163-A205 WeakPolarHBondContact NE2-CB 3.5Å; V195-A205 HydrophobicContact CG2-CB 4.23Å; S201-A205 PolarHBondContact O-N 3.11Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.31Å; A205-N208 PolarHBondContact O-N 3.44Å; A205-C209 PolarHBondContact O-N 3.22Å
206	D	98.7	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-46.1	174	-89	-40.5	0	0	0	111	S136 V138 R202 L203 Q204 N208 C209 L210 N225 F305 W339	S136-D206 PolarHBondContact OG-OD1 3.48Å; V138-D206 WeakPolarHBondContact CG2-OD1 3.34Å; R202-D206 IonicContact CZ-OD2 2.91Å; R202-D206 IonicContact NH1-OD1 3.18Å; R202-D206 IonicContact NH1-OD2 3.96Å; R202-D206 PolarHBondContact NH1-OD2 3.23Å; R202-D206 IonicContact NH2-OD2 2.64Å; R202-D206 PolarHBondContact NH2-OD2 3.07Å; L203-D206 PolarHBondContact O-N 3.26Å; Q204-D206 PolarHBondContact O-N 2.85Å; D206-N208 VanDerWaalsContact C-N 3.25Å; D206-N208 PolarHBondContact O-N 3.02Å; D206-C209 PolarHBondContact O-N 2.94Å; D206-C209 VanDerWaalsContact O-N 3.11Å; D206-L210 WeakPolarHBondContact O-CB 3.43Å; D206-L210 VanDerWaalsContact O-CG 3.25Å; D206-L210 WeakPolarHBondContact O-CG 3.14Å; D206-L210 PolarHBondContact O-N 3.25Å; D206-N225 WeakPolarHBondContact OD1-CB 3.29Å; D206-N225 PolarHBondContact OD2-ND2 2.94Å; D206-F305 HydrophobicContact CB-CE1 4.42Å; D206-F305 HydrophobicContact CB-CZ 4.32Å; D206-W339 HydrophobicContact CB-CZ2 4.25Å
207	L	98.8	Very high	98.1	Very high	13 Å²	13	33 Å²	33	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-37.1	178.1	-71.2	169.2	0	0	0	112.5	L203 Q204 L210 S211 I315 F316 F325 W339	L203-L207 HydrophobicContact CD1-CD1 4.49Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 PolarHBondContact O-N 2.8Å; L203-L207 VanDerWaalsContact O-N 3.07Å; Q204-L207 PolarHBondContact O-N 3.17Å; L207-L210 PolarHBondContact O-N 2.87Å; L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.45Å; L207-I315 HydrophobicContact CD2-CD1 4.19Å; L207-F316 HydrophobicContact CB-CZ 4.46Å; L207-F316 HydrophobicContact CD2-CE1 4.37Å; L207-F316 HydrophobicContact CD2-CZ 4.03Å; L207-F316 WeakPolarHBondContact O-CZ 3.06Å; L207-F325 HydrophobicContact CD1-CD2 3.7Å; L207-F325 HydrophobicContact CD1-CE2 3.34Å; L207-F325 HydrophobicContact CD1-CG 4.49Å; L207-F325 HydrophobicContact CD1-CZ 3.88Å; L207-W339 HydrophobicContact CD2-CH2 3.74Å; L207-W339 HydrophobicContact CG-CH2 4.3Å
208	N	98.9	Very high	98.2	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-48.1	175.6	-70.1	-15.7	0	0	0	110.9	K191 E193 Q204 A205 D206 S211 D212	K191-N208 HydrophobicContact CB-CB 4.22Å; K191-N208 WeakPolarHBondContact O-CB 3.32Å; K191-N208 PolarHBondContact O-ND2 3.45Å; K191-N208 VanDerWaalsContact O-ND2 3.08Å; E193-N208 PolarHBondContact OE1-ND2 2.93Å; Q204-N208 PolarHBondContact NE2-OD1 3.11Å; Q204-N208 PolarHBondContact O-N 3.3Å; Q204-N208 PolarHBondContact O-ND2 3.43Å; Q204-N208 PolarHBondContact O-OD1 2.7Å; A205-N208 PolarHBondContact O-N 3.44Å; D206-N208 VanDerWaalsContact C-N 3.25Å; D206-N208 PolarHBondContact O-N 3.02Å; N208-S211 PolarHBondContact O-N 3.12Å; N208-D212 PolarHBondContact O-N 2.98Å
209	C	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-43.9	176.1	-94.7	0	0	0	0	112.9	S136 C161 A205 D206 S211 D212 L213	S136-C209 VanDerWaalsContact OG-CB 3.25Å; S136-C209 WeakPolarHBondContact OG-CB 3.49Å; C161-C209 VanDerWaalsContact C-SG 3.6Å; C161-C209 HydrophobicContact CB-CB 3.67Å; C161-C209 WeakPolarHBondContact CB-SG 3.39Å; C161-C209 WeakPolarHBondContact SG-CA 3.25Å; C161-C209 WeakPolarHBondContact SG-CB 3.48Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 3.16Å; A205-C209 PolarHBondContact O-N 3.22Å; D206-C209 PolarHBondContact O-N 2.94Å; D206-C209 VanDerWaalsContact O-N 3.11Å; C209-S211 VanDerWaalsContact C-N 3.28Å; C209-S211 PolarHBondContact O-N 3.42Å; C209-D212 PolarHBondContact O-N 2.84Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 VanDerWaalsContact O-CG 3.24Å; C209-L213 WeakPolarHBondContact O-CG 3.16Å; C209-L213 PolarHBondContact O-N 3.43Å
210	L	98.9	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-40.6	177.5	-68.3	-179	0	0	0	112	D206 L207 L213 L214 V223 F305 V312 I315 F316 W339	D206-L210 WeakPolarHBondContact O-CB 3.43Å; D206-L210 VanDerWaalsContact O-CG 3.25Å; D206-L210 WeakPolarHBondContact O-CG 3.14Å; D206-L210 PolarHBondContact O-N 3.25Å; L207-L210 PolarHBondContact O-N 2.87Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.97Å; L210-V223 HydrophobicContact CD2-CB 4.14Å; L210-V223 HydrophobicContact CD2-CG1 3.59Å; L210-V223 HydrophobicContact CD2-CG2 3.65Å; L210-F305 HydrophobicContact CD1-CZ 4.06Å; L210-F305 HydrophobicContact CD2-CE2 4.34Å; L210-F305 HydrophobicContact CD2-CZ 4.45Å; L210-V312 HydrophobicContact CB-CG1 3.96Å; L210-V312 HydrophobicContact CD2-CG1 4.24Å; L210-V312 HydrophobicContact CD2-CG2 4.33Å; L210-V312 HydrophobicContact CG-CG1 4.47Å; L210-I315 HydrophobicContact CD1-CD1 4.4Å; L210-F316 HydrophobicContact CB-CE2 3.84Å; L210-F316 HydrophobicContact CB-CZ 4.02Å; L210-W339 HydrophobicContact CD1-CH2 3.67Å; L210-W339 HydrophobicContact CD1-CZ2 4.34Å; L210-W339 HydrophobicContact CD1-CZ3 4.38Å
211	S	98.6	Very high	98.3	Very high	38 Å²	38	35.4 Å²	35.4	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-41.7	176.5	-171.6	0	0	0	0	112.1	L207 N208 C209	L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.45Å; N208-S211 PolarHBondContact O-N 3.12Å; C209-S211 VanDerWaalsContact C-N 3.28Å; C209-S211 PolarHBondContact O-N 3.42Å
212	D	98.8	Very high	98.4	Very high	16 Å²	16	35.5 Å²	35.5	9%	0.086	18%	0.184	C	C	.	.	H	α-helix	trans	-75.7	-36.8	-179.9	-69.6	-23.9	0	0	0	112.7	F187 S190 N208 C209 L214 K215	F187-D212 HydrophobicContact CE2-CB 3.55Å; F187-D212 HydrophobicContact CZ-CB 3.96Å; S190-D212 WeakPolarHBondContact CB-OD2 3.49Å; S190-D212 PolarHBondContact N-OD2 2.92Å; S190-D212 PolarHBondContact OG-OD1 2.79Å; S190-D212 PolarHBondContact OG-OD2 3.18Å; N208-D212 PolarHBondContact O-N 2.98Å; C209-D212 PolarHBondContact O-N 2.84Å; D212-L214 PolarHBondContact O-N 2.9Å; D212-K215 WeakPolarHBondContact O-CB 3.35Å; D212-K215 PolarHBondContact O-N 3.12Å; D212-K215 IonicContact OD1-NZ 2.68Å; D212-K215 PolarHBondContact OD1-NZ 3.27Å
213	L	98.9	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-34.9	173.4	-75.6	169.7	0	0	0	112.1	A134 I159 C161 F187 C209 L210 K215 S216 W220 V223	A134-L213 HydrophobicContact CB-CD1 4.06Å; A134-L213 HydrophobicContact CB-CD2 3.95Å; A134-L213 HydrophobicContact CB-CG 4.48Å; I159-L213 HydrophobicContact CB-CD2 4.44Å; I159-L213 HydrophobicContact CD1-CD2 4.39Å; I159-L213 HydrophobicContact CG1-CD2 4Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; C161-L213 HydrophobicContact CB-CD1 4.24Å; C161-L213 HydrophobicContact CB-CD2 4.08Å; C161-L213 HydrophobicContact CB-CG 3.96Å; F187-L213 HydrophobicContact CE1-CD2 4Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.22Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 VanDerWaalsContact O-CG 3.24Å; C209-L213 WeakPolarHBondContact O-CG 3.16Å; C209-L213 PolarHBondContact O-N 3.43Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L213-K215 VanDerWaalsContact C-N 3.26Å; L213-K215 PolarHBondContact O-N 2.97Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L213-W220 HydrophobicContact CB-CZ2 4.07Å; L213-W220 PolarHBondContact O-NE1 3.41Å; L213-V223 HydrophobicContact CD1-CG2 3.7Å
214	L	98.4	Very high	98.4	Very high	45 Å²	45	34 Å²	34	24%	0.236	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.3	175.2	-75.4	-179.5	0	0	0	114.1	L210 D212 S216 W220 Q309 V312 K313 F316	L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.97Å; D212-L214 PolarHBondContact O-N 2.9Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-W220 HydrophobicContact CD2-CH2 4.08Å; L214-W220 HydrophobicContact CD2-CZ2 3.73Å; L214-W220 HydrophobicContact CG-CZ2 4.33Å; L214-Q309 HydrophobicContact CD2-CG 4.24Å; L214-V312 HydrophobicContact CD1-CG1 3.96Å; L214-V312 HydrophobicContact CD2-CB 4.43Å; L214-V312 HydrophobicContact CD2-CG1 4.11Å; L214-V312 HydrophobicContact CG-CG1 3.95Å; L214-K313 HydrophobicContact CD1-CG 4.4Å; L214-K313 HydrophobicContact CD2-CD 4.42Å; L214-K313 HydrophobicContact CD2-CG 3.46Å; L214-K313 VanDerWaalsContact CD2-CG 3.46Å; L214-F316 HydrophobicContact CD1-CD2 3.56Å; L214-F316 HydrophobicContact CD1-CE2 4.12Å; L214-F316 HydrophobicContact CD1-CG 4.42Å
215	K	97.9	Very high	98.4	Very high	146 Å²	146	31.6 Å²	31.6	64%	0.635	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.5	178.6	-59.7	168.9	-165.7	159	0	112.4	D212 L213	D212-K215 WeakPolarHBondContact O-CB 3.35Å; D212-K215 PolarHBondContact O-N 3.12Å; D212-K215 IonicContact OD1-NZ 2.68Å; D212-K215 PolarHBondContact OD1-NZ 3.27Å; L213-K215 VanDerWaalsContact C-N 3.26Å; L213-K215 PolarHBondContact O-N 2.97Å
216	S	96.9	Very high	98.4	Very high	31 Å²	31	31.6 Å²	31.6	22%	0.217	17%	0.168	C	C	.	.	S	Bend	trans	-66.3	147.9	179.2	-179.8	0	0	0	0	112.4	I159 L213 L214 V218	I159-S216 WeakPolarHBondContact CD1-OG 3.44Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L214-S216 VanDerWaalsContact C-N 3.32Å; S216-V218 PolarHBondContact O-N 3.14Å; S216-V218 WeakPolarHBondContact OG-CB 3.46Å; S216-V218 PolarHBondContact OG-N 3.24Å
217	S	96.6	Very high	98.4	Very high	107 Å²	107	32.6 Å²	32.6	75%	0.748	18%	0.175	S	C	*	.	S	Bend	trans	-70	-20.3	169.2	57.5	0	0	0	0	113.1	Q219	S217-Q219 PolarHBondContact O-N 3.05Å; S217-Q219 PolarHBondContact O-NE2 3.34Å; S217-Q219 VanDerWaalsContact O-NE2 3.08Å
218	V	97.8	Very high	98.3	Very high	34 Å²	34	32.6 Å²	32.6	21%	0.206	18%	0.178	C	C	.	.	S	Bend	trans	-66.4	120.9	179.3	-179.8	0	0	0	0	109.7	P132 H157 I159 S216 W220	P132-V218 HydrophobicContact CB-CG1 3.83Å; P132-V218 HydrophobicContact CG-CG1 4.37Å; H157-V218 WeakPolarHBondContact O-CG1 3.42Å; I159-V218 HydrophobicContact CB-CB 4.39Å; I159-V218 HydrophobicContact CB-CG1 4.43Å; I159-V218 HydrophobicContact CB-CG2 4.36Å; I159-V218 HydrophobicContact CD1-CB 4.41Å; I159-V218 HydrophobicContact CD1-CG2 4.19Å; I159-V218 HydrophobicContact CG2-CB 4.4Å; I159-V218 HydrophobicContact CG2-CG1 4.31Å; S216-V218 PolarHBondContact O-N 3.14Å; S216-V218 WeakPolarHBondContact OG-CB 3.46Å; S216-V218 PolarHBondContact OG-N 3.24Å; V218-W220 HydrophobicContact CG1-CB 4.36Å; V218-W220 PolarHBondContact O-N 3.09Å
219	Q	96.8	Very high	98.3	Very high	119 Å²	119	33.5 Å²	33.5	56%	0.556	18%	0.182	S	C	*	.			trans	-82.3	58	-179.8	-59.8	-58	-52.8	0	0	112	S217	S217-Q219 PolarHBondContact O-N 3.05Å; S217-Q219 PolarHBondContact O-NE2 3.34Å; S217-Q219 VanDerWaalsContact O-NE2 3.08Å
220	W	98.8	Very high	98.3	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.182	C	C	.	.			trans	-63.8	149.5	-179.6	57	-97.5	0	0	0	112.8	P132 A134 I159 L213 L214 V218 V223 Q309 V312	P132-W220 HydrophobicContact CB-CB 4.29Å; P132-W220 CarbonylContact O-C 3.59Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.17Å; A134-W220 HydrophobicContact CB-CB 4.02Å; A134-W220 HydrophobicContact CB-CD2 3.63Å; A134-W220 HydrophobicContact CB-CE3 3.94Å; A134-W220 HydrophobicContact CB-CG 3.66Å; I159-W220 HydrophobicContact CG2-CB 4.4Å; I159-W220 HydrophobicContact CG2-CG 4.24Å; L213-W220 HydrophobicContact CB-CZ2 4.07Å; L213-W220 PolarHBondContact O-NE1 3.41Å; L214-W220 HydrophobicContact CD2-CH2 4.08Å; L214-W220 HydrophobicContact CD2-CZ2 3.73Å; L214-W220 HydrophobicContact CG-CZ2 4.33Å; V218-W220 HydrophobicContact CG1-CB 4.36Å; V218-W220 PolarHBondContact O-N 3.09Å; W220-V223 HydrophobicContact CE3-CB 4.5Å; W220-V223 HydrophobicContact CH2-CB 4.35Å; W220-V223 HydrophobicContact CH2-CG1 4.48Å; W220-V223 HydrophobicContact CZ3-CB 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 4.25Å; W220-Q309 HydrophobicContact CD2-CB 4.38Å; W220-Q309 HydrophobicContact CD2-CG 4.16Å; W220-Q309 HydrophobicContact CE3-CB 3.67Å; W220-Q309 HydrophobicContact CE3-CG 3.89Å; W220-Q309 HydrophobicContact CH2-CB 3.87Å; W220-Q309 HydrophobicContact CH2-CG 3.6Å; W220-Q309 HydrophobicContact CZ2-CG 3.85Å; W220-Q309 HydrophobicContact CZ3-CB 3.38Å; W220-Q309 HydrophobicContact CZ3-CG 3.62Å; W220-Q309 VanDerWaalsContact O-CD 3.27Å; W220-Q309 PolarHBondContact O-NE2 3.41Å; W220-Q309 VanDerWaalsContact O-NE2 3.07Å; W220-V312 HydrophobicContact CH2-CB 4.04Å; W220-V312 HydrophobicContact CH2-CG1 4.25Å; W220-V312 HydrophobicContact CH2-CG2 4.1Å
221	K	98.8	Very high	98.3	Very high	92 Å²	92	33.6 Å²	33.6	40%	0.4	18%	0.182	S	C	.	.	S	Bend	trans	-98.3	-44.1	-172.5	-56.3	-54.9	-177.8	-172.5	0	112.4	F131 P132 Q309	F131-K221 HydrophobicContact CD1-CB 4.26Å; F131-K221 HydrophobicContact CD1-CG 4.25Å; F131-K221 HydrophobicContact CD2-CB 4.31Å; F131-K221 HydrophobicContact CD2-CG 3.78Å; F131-K221 HydrophobicContact CE1-CB 3.86Å; F131-K221 HydrophobicContact CE1-CG 4.3Å; F131-K221 HydrophobicContact CE2-CB 3.93Å; F131-K221 HydrophobicContact CE2-CG 3.83Å; F131-K221 HydrophobicContact CG-CB 4.47Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.71Å; F131-K221 HydrophobicContact CZ-CG 4.12Å; P132-K221 PolarHBondContact O-N 3.01Å; K221-Q309 PolarHBondContact O-N 3.26Å
222	Y	98.9	Very high	98.3	Very high	9 Å²	9	32 Å²	32	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.4	178.3	-74.2	-87.2	0	0	0	110.5	F131 A134 L243 L246 G248 A249 V306 L307	F131-Y222 AromaticContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CE2 4.41Å; F131-Y222 AromaticContact CZ-CD2 3.66Å; F131-Y222 HydrophobicContact CZ-CD2 3.66Å; F131-Y222 AromaticContact CZ-CE2 3.74Å; F131-Y222 HydrophobicContact CZ-CE2 3.74Å; A134-Y222 PolarHBondContact N-O 3.43Å; Y222-L243 HydrophobicContact CD2-CB 4.12Å; Y222-L243 HydrophobicContact CE2-CB 4.44Å; Y222-L243 WeakPolarHBondContact CE2-O 3.49Å; Y222-L243 HydrophobicContact CG-CD2 4.36Å; Y222-L246 HydrophobicContact CD1-CD1 4.34Å; Y222-L246 HydrophobicContact CE1-CB 4.4Å; Y222-L246 HydrophobicContact CE1-CD1 3.84Å; Y222-L246 VanDerWaalsContact OH-CB 3.25Å; Y222-L246 WeakPolarHBondContact OH-CB 3.45Å; Y222-G248 WeakPolarHBondContact OH-CA 3.41Å; Y222-G248 PolarHBondContact OH-N 2.98Å; Y222-A249 VanDerWaalsContact CE1-O 3.24Å; Y222-A249 WeakPolarHBondContact CE1-O 3.48Å; Y222-A249 PolarHBondContact OH-O 3.43Å; Y222-V306 HydrophobicContact CD1-CG1 3.71Å; Y222-V306 HydrophobicContact CG-CG1 4.2Å; Y222-L307 CarbonylContact C-O 3.51Å; Y222-L307 VanDerWaalsContact CA-O 3.27Å; Y222-L307 WeakPolarHBondContact CA-O 3.21Å; Y222-L307 WeakPolarHBondContact CD1-O 3.46Å
223	V	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.8	166.6	63.6	0	0	0	0	110.3	A134 L210 L213 W220 F305 V306 L307 V312	A134-V223 HydrophobicContact CB-CB 4.04Å; A134-V223 HydrophobicContact CB-CG2 4.04Å; A134-V223 CarbonylContact O-C 3.56Å; A134-V223 VanDerWaalsContact O-CA 3.23Å; A134-V223 WeakPolarHBondContact O-CA 3.41Å; L210-V223 HydrophobicContact CD2-CB 4.14Å; L210-V223 HydrophobicContact CD2-CG1 3.59Å; L210-V223 HydrophobicContact CD2-CG2 3.65Å; L213-V223 HydrophobicContact CD1-CG2 3.7Å; W220-V223 HydrophobicContact CE3-CB 4.5Å; W220-V223 HydrophobicContact CH2-CB 4.35Å; W220-V223 HydrophobicContact CH2-CG1 4.48Å; W220-V223 HydrophobicContact CZ3-CB 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 4.25Å; V223-F305 HydrophobicContact CG1-CE2 4.25Å; V223-V306 WeakPolarHBondContact O-CA 3.26Å; V223-L307 HydrophobicContact CG1-CB 3.9Å; V223-L307 PolarHBondContact N-O 3.31Å; V223-L307 PolarHBondContact O-N 3.31Å; V223-V312 HydrophobicContact CG1-CG2 3.66Å
224	I	98.9	Very high	98.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124	175.5	-47.1	-172.1	0	0	0	107.6	I133 A134 Y135 S136 L226 L239 L243 V306 F408	I133-I224 HydrophobicContact CG2-CD1 3.99Å; I133-I224 HydrophobicContact CG2-CG1 3.99Å; A134-I224 PolarHBondContact O-N 2.83Å; Y135-I224 WeakPolarHBondContact CA-O 3.3Å; Y135-I224 HydrophobicContact CD1-CB 3.95Å; Y135-I224 HydrophobicContact CE1-CB 3.99Å; Y135-I224 HydrophobicContact CE1-CD1 3.98Å; Y135-I224 HydrophobicContact CE1-CG1 4.28Å; S136-I224 PolarHBondContact N-O 2.88Å; I224-L226 HydrophobicContact CG2-CD2 4.1Å; I224-L226 HydrophobicContact CG2-CG 4.43Å; I224-L239 HydrophobicContact CD1-CD1 4.24Å; I224-L239 HydrophobicContact CD1-CD2 3.88Å; I224-L239 HydrophobicContact CD1-CG 4.45Å; I224-L243 HydrophobicContact CD1-CD1 4.34Å; I224-V306 HydrophobicContact CB-CG2 4.36Å; I224-V306 HydrophobicContact CD1-CG2 4.24Å; I224-V306 HydrophobicContact CG1-CG2 3.89Å; I224-V306 HydrophobicContact CG2-CG2 4.07Å; I224-F408 HydrophobicContact CD1-CE2 3.84Å; I224-F408 HydrophobicContact CD1-CZ 4.33Å; I224-F408 HydrophobicContact CG2-CD2 4.26Å; I224-F408 HydrophobicContact CG2-CE2 3.86Å; I224-F408 HydrophobicContact CG2-CZ 4.4Å
225	N	98.9	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.8	170.9	77	-29.2	0	0	0	111.5	S136 D206 A303 Y304 F305 R367	S136-N225 CarbonylContact O-C 3.34Å; S136-N225 VanDerWaalsContact O-CA 3.26Å; S136-N225 WeakPolarHBondContact O-CA 3.21Å; D206-N225 WeakPolarHBondContact OD1-CB 3.29Å; D206-N225 PolarHBondContact OD2-ND2 2.94Å; N225-A303 PolarHBondContact ND2-O 2.68Å; N225-Y304 VanDerWaalsContact OD1-CA 3.28Å; N225-Y304 WeakPolarHBondContact OD1-CA 3.46Å; N225-F305 HydrophobicContact CB-CD2 4.29Å; N225-F305 HydrophobicContact CB-CE1 3.98Å; N225-F305 HydrophobicContact CB-CE2 3.7Å; N225-F305 HydrophobicContact CB-CZ 3.53Å; N225-F305 VanDerWaalsContact CG-CE1 3.48Å; N225-F305 PolarHBondContact N-O 3.24Å; N225-F305 VanDerWaalsContact ND2-CE1 3.3Å; N225-F305 WeakPolarHBondContact ND2-CE1 3.38Å; N225-F305 PolarHBondContact OD1-N 3.06Å; N225-F305 PolarHBondContact OD1-O 2.91Å; N225-R367 PolarHBondContact O-NH2 2.73Å
226	L	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.9	-175.6	-60.2	176.1	0	0	0	109.1	Y135 S136 L137 V138 L149 I153 I224 D230 F408	Y135-L226 HydrophobicContact CD1-CD1 3.63Å; Y135-L226 HydrophobicContact CD1-CG 4.29Å; Y135-L226 HydrophobicContact CE1-CD1 4.09Å; S136-L226 PolarHBondContact O-N 3.41Å; L137-L226 WeakPolarHBondContact CA-O 3.49Å; L137-L226 HydrophobicContact CD2-CB 3.84Å; L137-L226 HydrophobicContact CD2-CD1 3.99Å; V138-L226 PolarHBondContact N-O 2.98Å; L149-L226 HydrophobicContact CD1-CD1 4.28Å; L149-L226 HydrophobicContact CD2-CB 4.37Å; L149-L226 HydrophobicContact CD2-CD1 4.29Å; I153-L226 HydrophobicContact CD1-CD1 3.59Å; I224-L226 HydrophobicContact CG2-CD2 4.1Å; I224-L226 HydrophobicContact CG2-CG 4.43Å; L226-D230 WeakPolarHBondContact CA-OD2 3.33Å; L226-D230 HydrophobicContact CD2-CB 4.22Å; L226-F408 HydrophobicContact CD1-CE1 4.05Å; L226-F408 HydrophobicContact CD2-CD1 3.52Å; L226-F408 HydrophobicContact CD2-CD2 4.31Å; L226-F408 HydrophobicContact CD2-CE1 3.68Å; L226-F408 HydrophobicContact CD2-CE2 4.46Å; L226-F408 HydrophobicContact CD2-CG 3.9Å; L226-F408 HydrophobicContact CD2-CZ 4.17Å
227	C	98	Very high	98.2	Very high	22 Å²	22	24.3 Å²	24.3	15%	0.149	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	167.8	166.4	75.6	0	0	0	0	110.7	V138 Q229 D230 N410	V138-C227 WeakPolarHBondContact O-CA 3.37Å; C227-Q229 PolarHBondContact O-N 3.4Å; C227-D230 PolarHBondContact N-OD2 2.73Å; C227-D230 WeakPolarHBondContact O-CB 3.43Å; C227-D230 PolarHBondContact O-N 2.73Å; C227-D230 VanDerWaalsContact SG-CG 3.54Å; C227-D230 PolarHBondContact SG-OD2 3.01Å; C227-N410 PolarHBondContact SG-ND2 2.69Å; C227-N410 VanDerWaalsContact SG-ND2 3.41Å
228	G	97.3	Very high	98.3	Very high	13 Å²	13	20.6 Å²	20.6	13%	0.134	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-4.6	-174.8	0	0	0	0	0	116.2
229	Q	97.8	Very high	98.3	Very high	28 Å²	28	19.2 Å²	19.2	13%	0.131	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	12.3	176.7	-60.4	-167.9	-82.8	0	0	112.7	C227 K411 F412	C227-Q229 PolarHBondContact O-N 3.4Å; Q229-K411 HydrophobicContact CB-CB 4.29Å; Q229-K411 HydrophobicContact CB-CG 4.34Å; Q229-K411 WeakPolarHBondContact O-CA 3.46Å; Q229-F412 PolarHBondContact NE2-O 2.92Å; Q229-F412 PolarHBondContact O-N 3.43Å
230	D	98.8	Very high	98.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	155.3	170.5	-69.8	-38.1	0	0	0	111.2	L149 L226 C227 R367 A409 N410	L149-D230 WeakPolarHBondContact CD1-O 3.28Å; L226-D230 WeakPolarHBondContact CA-OD2 3.33Å; L226-D230 HydrophobicContact CD2-CB 4.22Å; C227-D230 PolarHBondContact N-OD2 2.73Å; C227-D230 WeakPolarHBondContact O-CB 3.43Å; C227-D230 PolarHBondContact O-N 2.73Å; C227-D230 VanDerWaalsContact SG-CG 3.54Å; C227-D230 PolarHBondContact SG-OD2 3.01Å; D230-R367 VanDerWaalsContact CB-NH1 3.31Å; D230-R367 WeakPolarHBondContact OD1-CD 3.4Å; D230-R367 IonicContact OD1-CZ 3.24Å; D230-R367 IonicContact OD1-NE 3.47Å; D230-R367 PolarHBondContact OD1-NE 2.87Å; D230-R367 IonicContact OD1-NH1 2.7Å; D230-R367 PolarHBondContact OD1-NH1 3.47Å; D230-R367 IonicContact OD2-CZ 2.83Å; D230-R367 IonicContact OD2-NE 3.66Å; D230-R367 IonicContact OD2-NH1 3.41Å; D230-R367 PolarHBondContact OD2-NH1 2.88Å; D230-R367 IonicContact OD2-NH2 2.7Å; D230-R367 PolarHBondContact OD2-NH2 3.19Å; D230-A409 WeakPolarHBondContact CA-O 3.34Å; D230-N410 VanDerWaalsContact OD1-CB 3.27Å; D230-N410 WeakPolarHBondContact OD1-CB 3.43Å; D230-N410 PolarHBondContact OD1-ND2 3.15Å
231	F	98.8	Very high	98.4	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.2	169.5	-144	-97.5	0	0	0	110.5	R148 A152 F408 A409 F412 I421 L424 A425	R148-F231 HydrophobicContact CB-CE2 4.35Å; A152-F231 HydrophobicContact CB-CE1 4.03Å; A152-F231 HydrophobicContact CB-CE2 4.27Å; A152-F231 HydrophobicContact CB-CZ 3.72Å; F231-F408 WeakPolarHBondContact O-CA 3.48Å; F231-A409 PolarHBondContact N-O 3.01Å; F231-A409 PolarHBondContact O-N 2.93Å; F231-F412 HydrophobicContact CB-CD1 4.26Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.24Å; F231-F412 HydrophobicContact CB-CE2 3.35Å; F231-F412 HydrophobicContact CB-CG 3.84Å; F231-F412 HydrophobicContact CB-CZ 3.82Å; F231-I421 HydrophobicContact CD2-CG2 4.38Å; F231-I421 HydrophobicContact CE2-CG2 3.79Å; F231-I421 HydrophobicContact CZ-CG2 3.98Å; F231-L424 HydrophobicContact CB-CD2 4.3Å; F231-L424 HydrophobicContact CD1-CB 4.33Å; F231-L424 HydrophobicContact CD1-CD2 3.49Å; F231-L424 VanDerWaalsContact CD1-CD2 3.49Å; F231-L424 HydrophobicContact CD1-CG 3.78Å; F231-L424 HydrophobicContact CE1-CB 4.3Å; F231-L424 HydrophobicContact CE1-CD2 4.26Å; F231-L424 HydrophobicContact CE1-CG 4.09Å; F231-L424 HydrophobicContact CG-CD2 4.27Å; F231-A425 HydrophobicContact CE1-CB 4.23Å; F231-A425 HydrophobicContact CZ-CB 4.12Å
232	P	98.7	Very high	98.3	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.032	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	151.6	176.7	25.2	-35.1	0	0	0	112.5	A152 I153 F408 L424 L428	A152-P232 HydrophobicContact CB-CG 3.73Å; I153-P232 HydrophobicContact CG2-CB 4.26Å; I153-P232 HydrophobicContact CG2-CG 3.91Å; P232-F408 VanDerWaalsContact CA-CD1 3.47Å; P232-F408 HydrophobicContact CB-CD1 4.05Å; P232-F408 HydrophobicContact CB-CE1 3.78Å; P232-F408 HydrophobicContact CB-CZ 4.47Å; P232-L424 WeakPolarHBondContact O-CD2 3.42Å; P232-L428 HydrophobicContact CB-CD1 3.94Å; P232-L428 HydrophobicContact CG-CD1 3.67Å; P232-L428 WeakPolarHBondContact O-CD1 3.49Å
233	L	98.7	Very high	98.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-118.2	0.9	172	-62.8	-179.4	0	0	0	112.5	L368 L401 H406 W407 A409 L424	L233-L368 HydrophobicContact CD1-CB 4.29Å; L233-L368 HydrophobicContact CD1-CD2 4.19Å; L233-L401 HydrophobicContact CD2-CB 3.81Å; L233-L401 HydrophobicContact CD2-CD2 4.42Å; L233-H406 WeakPolarHBondContact CB-O 3.24Å; L233-H406 HydrophobicContact CD1-CB 4.07Å; L233-W407 PolarHBondContact N-O 3.46Å; L233-A409 HydrophobicContact CD1-CB 3.77Å; L233-A409 HydrophobicContact CD2-CB 4.01Å; L233-A409 HydrophobicContact CG-CB 3.99Å; L233-L424 HydrophobicContact CD2-CD1 4.3Å; L233-L424 HydrophobicContact CD2-CD2 4.1Å
234	K	98.3	Very high	98.3	Very high	33 Å²	33	16.5 Å²	16.5	14%	0.143	9%	0.086	C	C	.	.	S	Bend	trans	-133.4	140.6	-179.5	-63.7	-62.2	172.3	-160.2	0	109.9	E238 L239 I402	K234-E238 HydrophobicContact CB-CB 4.09Å; K234-E238 HydrophobicContact CD-CB 4.19Å; K234-L239 HydrophobicContact CB-CB 4.34Å; K234-I402 PolarHBondContact NZ-O 2.7Å
235	S	97.7	Very high	98.3	Very high	4 Å²	4	23 Å²	23	3%	0.028	12%	0.115	C	C	.	.			trans	-60.5	159.1	166.8	62.5	0	0	0	0	109.8	F237 E238 L239	S235-F237 PolarHBondContact O-N 3.23Å; S235-E238 WeakPolarHBondContact CB-OE2 3.23Å; S235-E238 PolarHBondContact N-OE2 3.43Å; S235-E238 VanDerWaalsContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 3.45Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 3.37Å; S235-E238 PolarHBondContact OG-OE2 2.88Å; S235-L239 WeakPolarHBondContact O-CB 3.28Å; S235-L239 PolarHBondContact O-N 3.08Å
236	N	97.9	Very high	98.2	Very high	18 Å²	18	24.2 Å²	24.2	10%	0.096	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-34.4	179.8	-173.1	87.8	0	0	0	111.3	E128 N155 N158 L239 V240	E128-N236 WeakPolarHBondContact CG-ND2 3.34Å; E128-N236 WeakPolarHBondContact OE1-CB 3.48Å; E128-N236 PolarHBondContact OE1-ND2 3.4Å; N155-N236 VanDerWaalsContact ND2-CB 3.31Å; N155-N236 WeakPolarHBondContact ND2-CB 3.38Å; N155-N236 PolarHBondContact ND2-ND2 3.01Å; N155-N236 VanDerWaalsContact ND2-ND2 3.17Å; N155-N236 PolarHBondContact ND2-OD1 2.88Å; N158-N236 PolarHBondContact ND2-OD1 2.86Å; N236-L239 PolarHBondContact O-N 2.86Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 WeakPolarHBondContact O-CG2 3.42Å; N236-V240 PolarHBondContact O-N 2.89Å
237	F	97.7	Very high	98.1	Very high	21 Å²	21	31.5 Å²	31.5	9%	0.092	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-51.3	173.3	-175.9	-83	0	0	0	112	E128 S235 L239 V240 S241 W435 I436	E128-F237 PolarHBondContact OE1-N 2.73Å; E128-F237 VanDerWaalsContact OE1-N 3.14Å; S235-F237 PolarHBondContact O-N 3.23Å; F237-L239 PolarHBondContact O-N 3.19Å; F237-V240 PolarHBondContact O-N 3.38Å; F237-S241 PolarHBondContact O-N 2.88Å; F237-W435 HydrophobicContact CB-CB 4.16Å; F237-W435 HydrophobicContact CD1-CB 3.44Å; F237-W435 VanDerWaalsContact CD1-CB 3.44Å; F237-W435 HydrophobicContact CD1-CD2 4.1Å; F237-W435 HydrophobicContact CD1-CE3 4.5Å; F237-W435 AromaticContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD2-CB 4.32Å; F237-W435 HydrophobicContact CE1-CB 3.85Å; F237-W435 HydrophobicContact CE1-CD2 4.11Å; F237-W435 HydrophobicContact CE1-CE3 4.05Å; F237-W435 HydrophobicContact CE1-CG 4.05Å; F237-W435 HydrophobicContact CG-CB 3.7Å; F237-W435 HydrophobicContact CG-CG 4.31Å; F237-W435 HydrophobicContact CZ-CB 4.45Å; F237-I436 HydrophobicContact CD2-CG1 4.45Å
238	E	97.8	Very high	98.1	Very high	30 Å²	30	32.1 Å²	32.1	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.9	-73.7	170.7	107.5	0	0	111.9	K234 S235 V240 S241 E242 Q431 W435	K234-E238 HydrophobicContact CB-CB 4.09Å; K234-E238 HydrophobicContact CD-CB 4.19Å; S235-E238 WeakPolarHBondContact CB-OE2 3.23Å; S235-E238 PolarHBondContact N-OE2 3.43Å; S235-E238 VanDerWaalsContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 3.45Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 3.37Å; S235-E238 PolarHBondContact OG-OE2 2.88Å; E238-V240 PolarHBondContact O-N 3.39Å; E238-S241 WeakPolarHBondContact O-CB 3.34Å; E238-S241 PolarHBondContact O-N 3.39Å; E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 3.08Å; E238-Q431 PolarHBondContact OE2-OE1 3.45Å; E238-W435 VanDerWaalsContact CD-NE1 3.35Å; E238-W435 VanDerWaalsContact CG-NE1 3.26Å
239	L	98.6	Very high	98.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-46.8	178.5	-178.3	59.6	0	0	0	110.8	I133 Y135 I224 K234 S235 N236 F237 S241 E242 L243 W407 F408	I133-L239 HydrophobicContact CD1-CD2 3.92Å; I133-L239 HydrophobicContact CD1-CG 4.08Å; Y135-L239 WeakPolarHBondContact OH-CD2 3.5Å; I224-L239 HydrophobicContact CD1-CD1 4.24Å; I224-L239 HydrophobicContact CD1-CD2 3.88Å; I224-L239 HydrophobicContact CD1-CG 4.45Å; K234-L239 HydrophobicContact CB-CB 4.34Å; S235-L239 WeakPolarHBondContact O-CB 3.28Å; S235-L239 PolarHBondContact O-N 3.08Å; N236-L239 PolarHBondContact O-N 2.86Å; F237-L239 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 2.85Å; L239-E242 PolarHBondContact O-N 3.25Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.34Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 2.65Å; L239-W407 HydrophobicContact CD1-CB 3.93Å; L239-W407 HydrophobicContact CD1-CD2 4.12Å; L239-W407 HydrophobicContact CD1-CG 3.84Å; L239-F408 HydrophobicContact CD1-CE2 4.48Å; L239-F408 HydrophobicContact CD2-CE2 4.15Å; L239-F408 HydrophobicContact CD2-CZ 4.13Å
240	V	98.6	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-44.2	174.5	165.9	0	0	0	0	111.2	E127 E128 F131 I133 N236 F237 E238 E242 L243 K244	E127-V240 HydrophobicContact CG-CG1 4.08Å; E128-V240 HydrophobicContact CB-CG2 4.46Å; E128-V240 HydrophobicContact CG-CB 4.3Å; E128-V240 HydrophobicContact CG-CG2 4.01Å; F131-V240 HydrophobicContact CB-CG1 3.72Å; F131-V240 HydrophobicContact CB-CG2 4.49Å; F131-V240 HydrophobicContact CD1-CB 4.43Å; F131-V240 HydrophobicContact CD1-CG1 3.94Å; F131-V240 HydrophobicContact CD1-CG2 4.16Å; F131-V240 HydrophobicContact CG-CG1 3.93Å; I133-V240 HydrophobicContact CD1-CG2 3.92Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 WeakPolarHBondContact O-CG2 3.42Å; N236-V240 PolarHBondContact O-N 2.89Å; F237-V240 PolarHBondContact O-N 3.38Å; E238-V240 PolarHBondContact O-N 3.39Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.22Å; V240-L243 PolarHBondContact O-N 2.83Å; V240-K244 HydrophobicContact CG1-CD 4.05Å; V240-K244 HydrophobicContact CG1-CG 4.45Å; V240-K244 WeakPolarHBondContact O-CB 3.37Å; V240-K244 VanDerWaalsContact O-CG 3.31Å; V240-K244 WeakPolarHBondContact O-CG 3.01Å; V240-K244 PolarHBondContact O-N 3.2Å
241	S	97.7	Very high	98.2	Very high	39 Å²	39	34.1 Å²	34.1	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-43.2	176.7	-174.9	0	0	0	0	112.3	F237 E238 L239 K245	F237-S241 PolarHBondContact O-N 2.88Å; E238-S241 WeakPolarHBondContact O-CB 3.34Å; E238-S241 PolarHBondContact O-N 3.39Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 2.85Å; S241-K245 WeakPolarHBondContact O-CG 3.31Å; S241-K245 PolarHBondContact O-N 3.49Å
242	E	98.1	Very high	98.1	Very high	33 Å²	33	34.1 Å²	34.1	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-44.7	176.5	-72	-70.3	105.7	0	0	112.4	E238 L239 V240 K244 K245 K365 W407	E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 3.08Å; L239-E242 PolarHBondContact O-N 3.25Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.22Å; E242-K244 VanDerWaalsContact C-N 3.31Å; E242-K244 PolarHBondContact O-N 3.33Å; E242-K245 WeakPolarHBondContact O-CB 3.47Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.12Å; E242-K245 IonicContact OE1-NZ 3.86Å; E242-K245 PolarHBondContact OE1-NZ 3.22Å; E242-K365 IonicContact OE2-NZ 3.72Å; E242-K365 PolarHBondContact OE2-NZ 3.03Å; E242-W407 HydrophobicContact CB-CZ2 4.07Å
243	L	98.7	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-32.5	179.8	-67.5	177.6	0	0	0	112.6	F131 I133 Y222 I224 L239 V240 K245 L246 V306 W407	F131-L243 HydrophobicContact CE1-CB 3.6Å; F131-L243 HydrophobicContact CE1-CD1 4.21Å; F131-L243 HydrophobicContact CZ-CB 3.98Å; I133-L243 HydrophobicContact CD1-CD1 3.64Å; I133-L243 HydrophobicContact CG1-CD1 3.93Å; Y222-L243 HydrophobicContact CD2-CB 4.12Å; Y222-L243 HydrophobicContact CE2-CB 4.44Å; Y222-L243 WeakPolarHBondContact CE2-O 3.49Å; Y222-L243 HydrophobicContact CG-CD2 4.36Å; I224-L243 HydrophobicContact CD1-CD1 4.34Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.34Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 2.65Å; V240-L243 PolarHBondContact O-N 2.83Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 2.86Å; L243-L246 HydrophobicContact CD2-CD1 3.88Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.44Å; L243-V306 HydrophobicContact CD2-CG1 3.49Å; L243-V306 VanDerWaalsContact CD2-CG1 3.49Å; L243-W407 HydrophobicContact CD2-CE3 4.42Å; L243-W407 HydrophobicContact CD2-CH2 4.11Å; L243-W407 HydrophobicContact CD2-CZ3 4.01Å
244	K	98.4	Very high	98.1	Very high	91 Å²	91	35.5 Å²	35.5	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-36.3	172.8	-77.8	176.3	68.4	177.3	0	112.1	E127 F131 V240 E242 L246 N247	E127-K244 HydrophobicContact CG-CD 4.28Å; E127-K244 VanDerWaalsContact OE1-CD 3.26Å; E127-K244 WeakPolarHBondContact OE1-CD 3.41Å; E127-K244 WeakPolarHBondContact OE1-CE 3.38Å; E127-K244 IonicContact OE1-NZ 2.63Å; E127-K244 PolarHBondContact OE1-NZ 3.14Å; F131-K244 HydrophobicContact CD2-CD 4.15Å; F131-K244 HydrophobicContact CD2-CG 3.58Å; F131-K244 HydrophobicContact CE1-CG 4.45Å; F131-K244 HydrophobicContact CE2-CB 4.44Å; F131-K244 HydrophobicContact CE2-CD 4.43Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.18Å; F131-K244 HydrophobicContact CZ-CG 3.86Å; V240-K244 HydrophobicContact CG1-CD 4.05Å; V240-K244 HydrophobicContact CG1-CG 4.45Å; V240-K244 WeakPolarHBondContact O-CB 3.37Å; V240-K244 VanDerWaalsContact O-CG 3.31Å; V240-K244 WeakPolarHBondContact O-CG 3.01Å; V240-K244 PolarHBondContact O-N 3.2Å; E242-K244 VanDerWaalsContact C-N 3.31Å; E242-K244 PolarHBondContact O-N 3.33Å; K244-L246 PolarHBondContact O-N 3.3Å; K244-N247 PolarHBondContact O-N 3.33Å; K244-N247 VanDerWaalsContact O-N 3.11Å
245	K	98.2	Very high	98.1	Very high	140 Å²	140	35.2 Å²	35.2	61%	0.609	19%	0.191	S	C	*	.	H	α-helix	trans	-65.2	-23	178	-63.6	167.8	-167	173.2	0	112.8	S241 E242 L243 N247	S241-K245 WeakPolarHBondContact O-CG 3.31Å; S241-K245 PolarHBondContact O-N 3.49Å; E242-K245 WeakPolarHBondContact O-CB 3.47Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.12Å; E242-K245 IonicContact OE1-NZ 3.86Å; E242-K245 PolarHBondContact OE1-NZ 3.22Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 2.86Å; K245-N247 PolarHBondContact O-N 3.08Å
246	L	98.1	Very high	98.1	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.131	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25	174.8	-62.4	178.2	0	0	0	112.6	Y222 L243 K244 G248 A249 M251 V306 W407	Y222-L246 HydrophobicContact CD1-CD1 4.34Å; Y222-L246 HydrophobicContact CE1-CB 4.4Å; Y222-L246 HydrophobicContact CE1-CD1 3.84Å; Y222-L246 VanDerWaalsContact OH-CB 3.25Å; Y222-L246 WeakPolarHBondContact OH-CB 3.45Å; L243-L246 HydrophobicContact CD2-CD1 3.88Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.44Å; K244-L246 PolarHBondContact O-N 3.3Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.13Å; L246-G248 VanDerWaalsContact O-N 3.1Å; L246-A249 WeakPolarHBondContact O-CB 3.42Å; L246-A249 PolarHBondContact O-N 3.33Å; L246-M251 HydrophobicContact CD1-CB 4.35Å; L246-M251 HydrophobicContact CD2-CB 4.3Å; L246-M251 HydrophobicContact CD2-CE 3.85Å; L246-V306 HydrophobicContact CD1-CG1 4.12Å; L246-W407 HydrophobicContact CD1-CH2 3.86Å; L246-W407 HydrophobicContact CD2-CH2 4.21Å; L246-W407 HydrophobicContact CG-CH2 4.31Å
247	N	97.5	Very high	98.1	Very high	152 Å²	152	41.5 Å²	41.5	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	43.1	174	-167.3	39.2	0	0	0	115	K244 K245	K244-N247 PolarHBondContact O-N 3.33Å; K244-N247 VanDerWaalsContact O-N 3.11Å; K245-N247 PolarHBondContact O-N 3.08Å
248	G	97.3	Very high	98.1	Very high	35 Å²	35	43.2 Å²	43.2	36%	0.361	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-11.5	-178.6	0	0	0	0	0	114.9	Y222 L246 G350	Y222-G248 WeakPolarHBondContact OH-CA 3.41Å; Y222-G248 PolarHBondContact OH-N 2.98Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.13Å; L246-G248 VanDerWaalsContact O-N 3.1Å; G248-G350 WeakPolarHBondContact O-CA 3.37Å
249	A	98	Very high	98	Very high	41 Å²	41	48.5 Å²	48.5	34%	0.339	26%	0.262	S	S	.	.			trans	-70.3	155.1	170.2	0	0	0	0	0	111.3	Y222 L246	Y222-A249 VanDerWaalsContact CE1-O 3.24Å; Y222-A249 WeakPolarHBondContact CE1-O 3.48Å; Y222-A249 PolarHBondContact OH-O 3.43Å; L246-A249 WeakPolarHBondContact O-CB 3.42Å; L246-A249 PolarHBondContact O-N 3.33Å
250	N	98.3	Very high	97.8	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.032	30%	0.296	C	S	.	.			trans	-98.6	162.8	174.8	-49.6	-68.7	0	0	0	110.1	L307 S308 F311 I343 P349 G350	N250-L307 HydrophobicContact CB-CD2 4.03Å; N250-L307 WeakPolarHBondContact OD1-CA 3.46Å; N250-S308 PolarHBondContact OD1-N 3.22Å; N250-S308 PolarHBondContact OD1-OG 2.78Å; N250-F311 VanDerWaalsContact ND2-CD2 3.34Å; N250-F311 WeakPolarHBondContact ND2-CD2 3.46Å; N250-F311 WeakPolarHBondContact OD1-CB 3.25Å; N250-I343 HydrophobicContact CB-CD1 3.64Å; N250-I343 HydrophobicContact CB-CG1 4.35Å; N250-P349 PolarHBondContact ND2-O 2.96Å; N250-G350 WeakPolarHBondContact ND2-CA 3.48Å; N250-G350 PolarHBondContact ND2-O 2.96Å
251	M	98.4	Very high	97.7	Very high	37 Å²	37	55.3 Å²	55.3	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121	175.9	-177.7	63.2	65.6	0	0	109.2	L246 V306 K365 T366 W407	L246-M251 HydrophobicContact CD1-CB 4.35Å; L246-M251 HydrophobicContact CD2-CB 4.3Å; L246-M251 HydrophobicContact CD2-CE 3.85Å; M251-V306 HydrophobicContact CB-CB 4.29Å; M251-V306 PolarHBondContact N-O 3.3Å; M251-V306 PolarHBondContact O-N 3.15Å; M251-K365 HydrophobicContact CG-CB 4.49Å; M251-T366 HydrophobicContact CB-CG2 4.25Å; M251-T366 HydrophobicContact CG-CG2 3.84Å; M251-T366 WeakPolarHBondContact O-CG2 3.32Å; M251-W407 HydrophobicContact CB-CH2 3.79Å; M251-W407 HydrophobicContact CB-CZ3 3.83Å; M251-W407 HydrophobicContact CG-CH2 3.74Å; M251-W407 HydrophobicContact CG-CZ3 3.79Å
252	L	98.5	Very high	97.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	160.4	172	56.2	111	0	0	0	110.1	T254 F305 L307 W339 A340 I343 S364	L252-T254 PolarHBondContact O-N 3.17Å; L252-F305 HydrophobicContact CB-CB 4.13Å; L252-F305 HydrophobicContact CD2-CB 4.02Å; L252-L307 HydrophobicContact CD2-CD2 3.56Å; L252-W339 HydrophobicContact CD1-CB 4.23Å; L252-A340 HydrophobicContact CD1-CB 4.38Å; L252-I343 HydrophobicContact CD1-CB 4.45Å; L252-I343 HydrophobicContact CD1-CD1 4.48Å; L252-I343 HydrophobicContact CD1-CG2 3.87Å; L252-I343 HydrophobicContact CD2-CB 4.35Å; L252-I343 HydrophobicContact CD2-CD1 3.77Å; L252-I343 HydrophobicContact CG-CD1 3.88Å; L252-I343 HydrophobicContact CG-CG2 4.39Å; L252-S364 WeakPolarHBondContact CA-OG 3.38Å
253	E	98.6	Very high	97.5	Very high	35 Å²	35	59.6 Å²	59.6	16%	0.164	32%	0.322	C	S	.	.			trans	-66.6	128.7	172.9	-177.8	-170.4	176.6	0	0	110.1	V255 S302 A340 V359 S364	E253-V255 HydrophobicContact CG-CG1 4.4Å; E253-S302 WeakPolarHBondContact OE2-CB 3.4Å; E253-S302 PolarHBondContact OE2-N 3.21Å; E253-S302 VanDerWaalsContact OE2-N 3.16Å; E253-A340 WeakPolarHBondContact O-CB 3.45Å; E253-V359 WeakPolarHBondContact CA-O 3.1Å; E253-S364 PolarHBondContact N-OG 3.16Å
254	T	98.6	Very high	97.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-153	104.5	177.6	170.5	0	0	0	0	110.1	L252 V300 A340 I343 R344 I352 V359	L252-T254 PolarHBondContact O-N 3.17Å; T254-V300 WeakPolarHBondContact CA-O 3.38Å; T254-A340 PolarHBondContact OG1-O 3.1Å; T254-I343 HydrophobicContact CG2-CG2 3.84Å; T254-R344 PolarHBondContact O-NH2 3.47Å; T254-R344 WeakPolarHBondContact OG1-CG 3.47Å; T254-R344 PolarHBondContact OG1-NE 3.17Å; T254-I352 HydrophobicContact CG2-CD1 4.02Å; T254-V359 HydrophobicContact CG2-CB 4.11Å; T254-V359 HydrophobicContact CG2-CG2 4.28Å; T254-V359 PolarHBondContact N-O 3.24Å; T254-V359 PolarHBondContact O-N 3.37Å
255	V	98.4	Very high	97.4	Very high	27 Å²	27	59.1 Å²	59.1	16%	0.164	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-127.8	158.3	-176.1	-50.2	0	0	0	0	111.1	E253 F299 V300 D358 V359	E253-V255 HydrophobicContact CG-CG1 4.4Å; V255-F299 WeakPolarHBondContact O-CA 3.5Å; V255-V300 HydrophobicContact CG2-CG2 3.57Å; V255-V300 PolarHBondContact N-O 3.39Å; V255-V300 PolarHBondContact O-N 3.42Å; V255-D358 HydrophobicContact CB-CB 3.99Å; V255-D358 HydrophobicContact CG1-CB 3.94Å; V255-V359 VanDerWaalsContact CG1-O 3.28Å; V255-V359 WeakPolarHBondContact CG1-O 3.49Å
256	K	97.9	Very high	97.4	Very high	121 Å²	121	54.8 Å²	54.8	53%	0.526	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-62.4	139	173.9	-72.6	177.2	-175.9	174.7	0	110.1	P258 F299 D358	K256-P258 WeakPolarHBondContact O-CD 3.05Å; K256-F299 HydrophobicContact CG-CD1 4.44Å; K256-F299 HydrophobicContact CG-CE1 4Å; K256-D358 PolarHBondContact N-OD1 2.72Å; K256-D358 PolarHBondContact N-OD2 2.86Å
257	P	97.3	Very high	97.4	Very high	32 Å²	32	57.2 Å²	57.2	21%	0.208	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.9	125.4	-176.9	-21	32	0	0	0	111.5	L262 F265 I298 V300	P257-L262 HydrophobicContact CB-CD2 3.89Å; P257-F265 HydrophobicContact CB-CE1 4.17Å; P257-F265 HydrophobicContact CB-CZ 3.81Å; P257-F265 HydrophobicContact CG-CE1 4.45Å; P257-F265 HydrophobicContact CG-CZ 3.96Å; P257-I298 VanDerWaalsContact CD-O 3.24Å; P257-I298 WeakPolarHBondContact CD-O 3.47Å; P257-I298 HydrophobicContact CG-CB 4.36Å; P257-I298 HydrophobicContact CG-CG2 4.05Å; P257-I298 WeakPolarHBondContact CG-O 3.19Å; P257-V300 HydrophobicContact CB-CG1 3.93Å; P257-V300 HydrophobicContact CG-CG1 4.1Å
258	P	96.3	Very high	97.4	Very high	57 Å²	57	52.5 Å²	52.5	37%	0.37	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-71	155.1	168.8	30.9	-34	0	0	0	110	K256 S260 K261	K256-P258 WeakPolarHBondContact O-CD 3.05Å; P258-S260 PolarHBondContact O-N 3.09Å; P258-K261 HydrophobicContact CG-CB 4.16Å; P258-K261 HydrophobicContact CG-CD 4.31Å; P258-K261 HydrophobicContact CG-CG 3.98Å; P258-K261 PolarHBondContact O-N 3.18Å
259	N	96.6	Very high	97.5	Very high	141 Å²	141	51.7 Å²	51.7	75%	0.754	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-52.3	-35.8	-179.6	-71.6	-18.1	0	0	0	113	K261 L262	N259-K261 PolarHBondContact O-N 3.23Å; N259-L262 PolarHBondContact O-N 3.05Å
260	S	94.8	Very high	97.4	Very high	104 Å²	104	54.4 Å²	54.4	73%	0.727	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19	179.4	58.3	0	0	0	0	114.7	P258	P258-S260 PolarHBondContact O-N 3.09Å
261	K	96.3	Very high	97.3	Very high	44 Å²	44	56.9 Å²	56.9	19%	0.191	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-101.2	-8.8	178.8	-70.7	-162.9	-179.9	-164.7	0	113.4	P258 N259 E263 R264 F265 V300 E336	P258-K261 HydrophobicContact CG-CB 4.16Å; P258-K261 HydrophobicContact CG-CD 4.31Å; P258-K261 HydrophobicContact CG-CG 3.98Å; P258-K261 PolarHBondContact O-N 3.18Å; N259-K261 PolarHBondContact O-N 3.23Å; K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.11Å; K261-R264 VanDerWaalsContact O-CB 3.27Å; K261-R264 WeakPolarHBondContact O-CB 3.37Å; K261-R264 WeakPolarHBondContact O-CG 3.39Å; K261-R264 PolarHBondContact O-N 2.91Å; K261-R264 VanDerWaalsContact O-N 3.14Å; K261-F265 WeakPolarHBondContact O-CE1 3.48Å; K261-V300 HydrophobicContact CB-CG1 4.49Å; K261-V300 HydrophobicContact CD-CB 4.27Å; K261-V300 HydrophobicContact CD-CG1 4.22Å; K261-V300 HydrophobicContact CD-CG2 4.26Å; K261-E336 IonicContact NZ-OE2 3.81Å; K261-E336 PolarHBondContact NZ-OE2 3.14Å
262	L	96.3	Very high	97.1	Very high	64 Å²	64	60.8 Å²	60.8	34%	0.335	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-43	-175.1	-65.9	179.9	0	0	0	112.5	P257 N259 R264 F265 T266	P257-L262 HydrophobicContact CB-CD2 3.89Å; N259-L262 PolarHBondContact O-N 3.05Å; L262-R264 PolarHBondContact O-N 3.02Å; L262-F265 HydrophobicContact CD2-CE2 4.15Å; L262-F265 HydrophobicContact CD2-CZ 3.66Å; L262-F265 PolarHBondContact O-N 2.83Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.43Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 3.13Å; L262-T266 VanDerWaalsContact O-OG1 3.07Å
263	E	96	Very high	96.6	Very high	99 Å²	99	71 Å²	71	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-23.3	-178.2	-67.1	-165.9	177.1	0	0	113.7	K261 F265 T266 Y267 H269 R284	K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.11Å; E263-F265 PolarHBondContact O-N 2.83Å; E263-T266 WeakPolarHBondContact CA-OG1 3.41Å; E263-Y267 HydrophobicContact CB-CD2 4.38Å; E263-Y267 HydrophobicContact CG-CD2 4.49Å; E263-Y267 HydrophobicContact CG-CE2 4.36Å; E263-H269 PolarHBondContact O-CE1 3.05Å; E263-R284 IonicContact OE1-NH1 3.79Å; E263-R284 IonicContact OE2-CZ 3.8Å; E263-R284 IonicContact OE2-NH1 3.6Å; E263-R284 PolarHBondContact OE2-NH1 3.05Å
264	R	97.4	Very high	95.9	Very high	64 Å²	64	71.1 Å²	71.1	24%	0.242	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-26.6	-179.2	-65.5	-174.9	175.5	-167.4	0.7	112.9	K261 L262 H269 T331 Y332 E336	K261-R264 VanDerWaalsContact O-CB 3.27Å; K261-R264 WeakPolarHBondContact O-CB 3.37Å; K261-R264 WeakPolarHBondContact O-CG 3.39Å; K261-R264 PolarHBondContact O-N 2.91Å; K261-R264 VanDerWaalsContact O-N 3.14Å; L262-R264 PolarHBondContact O-N 3.02Å; R264-H269 PolarHBondContact O-CE1 2.9Å; R264-T331 WeakPolarHBondContact O-CB 3.47Å; R264-Y332 HydrophobicContact CG-CD1 4.01Å; R264-Y332 HydrophobicContact CG-CG 4.43Å; R264-Y332 PolarHBondContact O-N 3.38Å; R264-E336 IonicContact CZ-OE2 3.4Å; R264-E336 IonicContact NH1-OE1 3.58Å; R264-E336 IonicContact NH1-OE2 3.48Å; R264-E336 PolarHBondContact NH1-OE2 3.35Å
265	F	97.5	Very high	94.7	Very high	16 Å²	16	76 Å²	76	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-130.9	-1.8	-174.2	57.2	-104.1	0	0	0	114.1	P257 K261 L262 E263 I298 V300 W327 T331	P257-F265 HydrophobicContact CB-CE1 4.17Å; P257-F265 HydrophobicContact CB-CZ 3.81Å; P257-F265 HydrophobicContact CG-CE1 4.45Å; P257-F265 HydrophobicContact CG-CZ 3.96Å; K261-F265 WeakPolarHBondContact O-CE1 3.48Å; L262-F265 HydrophobicContact CD2-CE2 4.15Å; L262-F265 HydrophobicContact CD2-CZ 3.66Å; L262-F265 PolarHBondContact O-N 2.83Å; E263-F265 PolarHBondContact O-N 2.83Å; F265-I298 HydrophobicContact CD1-CG2 4.08Å; F265-I298 HydrophobicContact CD2-CG1 4.12Å; F265-I298 HydrophobicContact CD2-CG2 4.27Å; F265-I298 HydrophobicContact CE1-CG2 3.78Å; F265-I298 HydrophobicContact CE2-CB 4.11Å; F265-I298 HydrophobicContact CE2-CG1 4.13Å; F265-I298 HydrophobicContact CE2-CG2 3.98Å; F265-I298 HydrophobicContact CG-CG2 4.31Å; F265-I298 HydrophobicContact CZ-CB 4.21Å; F265-I298 HydrophobicContact CZ-CG2 3.7Å; F265-V300 HydrophobicContact CE1-CG1 4.24Å; F265-W327 HydrophobicContact CB-CH2 3.89Å; F265-W327 HydrophobicContact CB-CZ3 4.49Å; F265-W327 HydrophobicContact CD2-CH2 4.49Å; F265-W327 WeakPolarHBondContact O-CZ2 3.34Å; F265-T331 HydrophobicContact CB-CG2 4.08Å
266	T	97.8	Very high	93.3	Very high	50 Å²	50	85.8 Å²	85.8	31%	0.307	41%	0.411	S	S	.	.	H	α-helix	trans	-93	-8.5	171.9	56.5	0	0	0	0	113.9	L262 E263 S288 K289	L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.43Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 3.13Å; L262-T266 VanDerWaalsContact O-OG1 3.07Å; E263-T266 WeakPolarHBondContact CA-OG1 3.41Å; T266-S288 WeakPolarHBondContact O-CA 3.43Å; T266-S288 PolarHBondContact O-OG 3.21Å; T266-S288 VanDerWaalsContact O-OG 3.13Å; T266-K289 PolarHBondContact O-N 3.35Å
267	Y	98.1	Very high	91.8	Very high	76 Å²	76	84.7 Å²	84.7	30%	0.298	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.2	176.2	-67.8	-86.7	0	0	0	111.7	E263 H269 R284 V287 K289	E263-Y267 HydrophobicContact CB-CD2 4.38Å; E263-Y267 HydrophobicContact CG-CD2 4.49Å; E263-Y267 HydrophobicContact CG-CE2 4.36Å; Y267-H269 PolarHBondContact O-CE1 3.14Å; Y267-H269 PolarHBondContact O-ND1 2.89Å; Y267-R284 HydrophobicContact CG-CG 4.2Å; Y267-V287 WeakPolarHBondContact CA-O 3.44Å; Y267-K289 WeakPolarHBondContact O-CD 3.01Å
268	H	98.1	Very high	90.4	Very high	53 Å²	53	94.8 Å²	94.8	25%	0.245	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.6	172	-69.2	-95.8	0	0	0	109.8	T285 V287 D330	H268-T285 WeakPolarHBondContact CB-OG1 3.29Å; H268-T285 WeakPolarHBondContact O-CB 3.27Å; H268-T285 WeakPolarHBondContact O-CG2 3.44Å; H268-T285 PolarHBondContact O-N 3.36Å; H268-T285 PolarHBondContact O-OG1 3.41Å; H268-V287 HydrophobicContact CB-CB 4.36Å; H268-V287 VanDerWaalsContact CD2-CG1 3.48Å; H268-V287 WeakPolarHBondContact CD2-CG1 3.16Å; H268-V287 PolarHBondContact CD2-O 3.49Å; H268-V287 PolarHBondContact N-O 2.86Å; H268-D330 CarbonylContact C-O 3.56Å; H268-D330 IonicContact CE1-OD2 3.81Å; H268-D330 PolarHBondContact CE1-OD2 3.47Å; H268-D330 VanDerWaalsContact CE1-OD2 3.27Å; H268-D330 IonicContact CG-OD2 3.32Å; H268-D330 IonicContact ND1-OD1 2.64Å; H268-D330 IonicContact ND1-OD2 2.69Å; H268-D330 PolarHBondContact ND1-OD2 3.28Å
269	H	97.9	Very high	89.7	Confident	18 Å²	18	95.4 Å²	95.4	8%	0.083	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	175.7	-67.2	72.3	0	0	0	109.9	E263 R264 Y267 P282 V283 R284 D330 Y332	E263-H269 PolarHBondContact O-CE1 3.05Å; R264-H269 PolarHBondContact O-CE1 2.9Å; Y267-H269 PolarHBondContact O-CE1 3.14Å; Y267-H269 PolarHBondContact O-ND1 2.89Å; H269-P282 HydrophobicContact CB-CB 3.95Å; H269-V283 WeakPolarHBondContact CA-O 3.37Å; H269-R284 VanDerWaalsContact CD2-CA 3.42Å; H269-R284 WeakPolarHBondContact CD2-CA 3.4Å; H269-R284 PolarHBondContact CD2-N 3.47Å; H269-D330 PolarHBondContact N-O 3.29Å; H269-Y332 AromaticContact CD2-CD2 3.87Å
270	E	96.4	Very high	89.3	Confident	97 Å²	97	92.9 Å²	92.9	45%	0.453	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.2	178.7	-73.3	176.9	-169.8	0	0	110.6	R272 P282 V283 T285	E270-R272 HydrophobicContact CB-CG 4.33Å; E270-R272 PolarHBondContact O-N 2.97Å; E270-R272 VanDerWaalsContact O-N 3.15Å; E270-R272 IonicContact OE2-CZ 3.12Å; E270-R272 VanDerWaalsContact OE2-CZ 3.32Å; E270-R272 IonicContact OE2-NE 2.71Å; E270-R272 PolarHBondContact OE2-NE 3.12Å; E270-R272 VanDerWaalsContact OE2-NE 3.12Å; E270-R272 IonicContact OE2-NH2 2.65Å; E270-R272 PolarHBondContact OE2-NH2 2.89Å; E270-P282 WeakPolarHBondContact O-CA 3.5Å; E270-V283 PolarHBondContact N-O 3.31Å; E270-V283 PolarHBondContact O-N 3.45Å; E270-T285 HydrophobicContact CB-CG2 4.25Å; E270-T285 HydrophobicContact CG-CG2 3.78Å
271	L	95.4	Very high	89.2	Confident	58 Å²	58	89 Å²	89	30%	0.304	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	108.3	177.5	-173.1	68.5	0	0	0	110.3	E196 H199 K280	E196-L271 HydrophobicContact CB-CD1 4Å; E196-L271 HydrophobicContact CG-CD1 4.18Å; E196-L271 HydrophobicContact CG-CD2 3.92Å; H199-L271 HydrophobicContact CB-CD1 4.5Å; L271-K280 HydrophobicContact CD1-CB 3.56Å; L271-K280 HydrophobicContact CD2-CB 4.23Å; L271-K280 HydrophobicContact CD2-CD 3.93Å; L271-K280 HydrophobicContact CG-CB 3.72Å; L271-K280 HydrophobicContact CG-CD 4.01Å
272	R	94.2	Very high	89.2	Confident	119 Å²	119	87.2 Å²	87.2	45%	0.449	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.8	-177.1	-64.7	-178.9	-178.5	-176.3	-0	111.3	E270 V274 K280 L281 V283	E270-R272 HydrophobicContact CB-CG 4.33Å; E270-R272 PolarHBondContact O-N 2.97Å; E270-R272 VanDerWaalsContact O-N 3.15Å; E270-R272 IonicContact OE2-CZ 3.12Å; E270-R272 VanDerWaalsContact OE2-CZ 3.32Å; E270-R272 IonicContact OE2-NE 2.71Å; E270-R272 PolarHBondContact OE2-NE 3.12Å; E270-R272 VanDerWaalsContact OE2-NE 3.12Å; E270-R272 IonicContact OE2-NH2 2.65Å; E270-R272 PolarHBondContact OE2-NH2 2.89Å; R272-V274 PolarHBondContact O-N 3.47Å; R272-K280 WeakPolarHBondContact O-CA 3.44Å; R272-L281 PolarHBondContact N-O 3.26Å; R272-L281 PolarHBondContact O-N 2.74Å; R272-V283 HydrophobicContact CB-CG2 4.06Å
273	R	89.1	Confident	89.2	Confident	216 Å²	216	86.3 Å²	86.3	82%	0.815	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.1	167.1	-71.7	-176.7	178.3	173.3	0.8	108.1	K280	R273-K280 HydrophobicContact CG-CG 4.12Å
274	V	83.4	Confident	89.2	Confident	37 Å²	37	86.9 Å²	86.9	22%	0.224	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-94.4	136	176	-96.6	0	0	0	0	109.5	R272 E277 L281 V283	R272-V274 PolarHBondContact O-N 3.47Å; V274-E277 HydrophobicContact CG2-CB 3.87Å; V274-E277 HydrophobicContact CG2-CG 4.39Å; V274-E277 PolarHBondContact O-N 3.11Å; V274-L281 HydrophobicContact CG2-CB 3.95Å; V274-L281 HydrophobicContact CG2-CD1 3.81Å; V274-L281 HydrophobicContact CG2-CG 3.71Å; V274-V283 HydrophobicContact CG1-CG2 4.02Å
275	P	74.1	Confident	89.1	Confident	102 Å²	102	84.4 Å²	84.4	66%	0.662	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	142.1	171.6	-23.3	33.8	0	0	0	110.4	E277	P275-E277 PolarHBondContact O-N 2.91Å
276	Y	68.8	Low	89.1	Confident	233 Å²	233	90.7 Å²	90.7	91%	0.914	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-4.5	178.7	-45.1	-77.7	0	0	0	117
277	E	65.3	Low	89.1	Confident	99 Å²	99	92.4 Å²	92.4	46%	0.463	42%	0.424	S	S	.	.			trans	-113.2	133.8	168.3	-68.8	-167.2	-158.9	0	0	110.7	V274 P275 V279 L281	V274-E277 HydrophobicContact CG2-CB 3.87Å; V274-E277 HydrophobicContact CG2-CG 4.39Å; V274-E277 PolarHBondContact O-N 3.11Å; P275-E277 PolarHBondContact O-N 2.91Å; E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 3.29Å; E277-V279 VanDerWaalsContact OE2-CG2 3.26Å; E277-V279 WeakPolarHBondContact OE2-CG2 3.39Å; E277-L281 VanDerWaalsContact OE2-CD1 3.27Å; E277-L281 WeakPolarHBondContact OE2-CD1 3.45Å
278	Y	68.9	Low	89.1	Confident	244 Å²	244	92.5 Å²	92.5	96%	0.957	44%	0.436	S	S	*	.	S	Bend	trans	-76.1	2.7	174.8	-63.9	-80	0	0	0	112.8
279	V	80.5	Confident	89	Confident	69 Å²	69	91 Å²	91	42%	0.418	43%	0.429	S	S	.	.	S	Bend	trans	-115.4	159.6	-176.4	-62	0	0	0	0	111.3	E277 L281	E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 3.29Å; E277-V279 VanDerWaalsContact OE2-CG2 3.26Å; E277-V279 WeakPolarHBondContact OE2-CG2 3.39Å; V279-L281 HydrophobicContact CG2-CD2 4.29Å
280	K	89.6	Confident	89	Confident	88 Å²	88	98.1 Å²	98.1	38%	0.383	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139	171.7	-64.3	-179.7	-178.4	178.4	0	109.1	L271 R272 R273	L271-K280 HydrophobicContact CD1-CB 3.56Å; L271-K280 HydrophobicContact CD2-CB 4.23Å; L271-K280 HydrophobicContact CD2-CD 3.93Å; L271-K280 HydrophobicContact CG-CB 3.72Å; L271-K280 HydrophobicContact CG-CD 4.01Å; R272-K280 WeakPolarHBondContact O-CA 3.44Å; R273-K280 HydrophobicContact CG-CG 4.12Å
281	L	92.6	Very high	89	Confident	22 Å²	22	97.4 Å²	97.4	12%	0.115	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.9	175.6	-66.5	-172.2	0	0	0	111.1	Y197 R272 V274 E277 V279 V283	Y197-L281 HydrophobicContact CD1-CD2 3.8Å; Y197-L281 HydrophobicContact CG-CD2 4.47Å; R272-L281 PolarHBondContact N-O 3.26Å; R272-L281 PolarHBondContact O-N 2.74Å; V274-L281 HydrophobicContact CG2-CB 3.95Å; V274-L281 HydrophobicContact CG2-CD1 3.81Å; V274-L281 HydrophobicContact CG2-CG 3.71Å; E277-L281 VanDerWaalsContact OE2-CD1 3.27Å; E277-L281 WeakPolarHBondContact OE2-CD1 3.45Å; V279-L281 HydrophobicContact CG2-CD2 4.29Å; L281-V283 PolarHBondContact O-N 2.9Å
282	P	95.6	Very high	89.1	Confident	7 Å²	7	95.9 Å²	95.9	5%	0.045	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	117.9	165.4	-15.9	29	0	0	0	109.7	Y197 A198 H199 H269 E270 Y332	Y197-P282 WeakPolarHBondContact O-CD 3.19Å; A198-P282 HydrophobicContact CB-CG 4.28Å; A198-P282 WeakPolarHBondContact O-CG 3.36Å; H199-P282 HydrophobicContact CB-CG 3.94Å; H269-P282 HydrophobicContact CB-CB 3.95Å; E270-P282 WeakPolarHBondContact O-CA 3.5Å; P282-Y332 HydrophobicContact CB-CD2 4Å
283	V	95.6	Very high	89.2	Confident	46 Å²	46	91.9 Å²	91.9	28%	0.279	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.9	178.3	179.4	0	0	0	0	108.7	H269 E270 R272 V274 L281 T285	H269-V283 WeakPolarHBondContact CA-O 3.37Å; E270-V283 PolarHBondContact N-O 3.31Å; E270-V283 PolarHBondContact O-N 3.45Å; R272-V283 HydrophobicContact CB-CG2 4.06Å; V274-V283 HydrophobicContact CG1-CG2 4.02Å; L281-V283 PolarHBondContact O-N 2.9Å; V283-T285 PolarHBondContact O-N 2.86Å
284	R	96.3	Very high	89.6	Confident	111 Å²	111	86.4 Å²	86.4	42%	0.419	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	129.3	176.4	-163.8	-165.4	76.1	-162.9	2.7	110	E263 Y267 H269	E263-R284 IonicContact OE1-NH1 3.79Å; E263-R284 IonicContact OE2-CZ 3.8Å; E263-R284 IonicContact OE2-NH1 3.6Å; E263-R284 PolarHBondContact OE2-NH1 3.05Å; Y267-R284 HydrophobicContact CG-CG 4.2Å; H269-R284 VanDerWaalsContact CD2-CA 3.42Å; H269-R284 WeakPolarHBondContact CD2-CA 3.4Å; H269-R284 PolarHBondContact CD2-N 3.47Å
285	T	96.9	Very high	90.1	Very high	12 Å²	12	91.3 Å²	91.3	7%	0.074	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	176.9	170.5	72.7	0	0	0	0	110.3	H268 E270 V283 V287	H268-T285 WeakPolarHBondContact CB-OG1 3.29Å; H268-T285 WeakPolarHBondContact O-CB 3.27Å; H268-T285 WeakPolarHBondContact O-CG2 3.44Å; H268-T285 PolarHBondContact O-N 3.36Å; H268-T285 PolarHBondContact O-OG1 3.41Å; E270-T285 HydrophobicContact CB-CG2 4.25Å; E270-T285 HydrophobicContact CG-CG2 3.78Å; V283-T285 PolarHBondContact O-N 2.86Å; T285-V287 VanDerWaalsContact C-N 3.27Å; T285-V287 PolarHBondContact OG1-N 3.45Å
286	N	96.3	Very high	91.3	Very high	148 Å²	148	86.9 Å²	86.9	79%	0.791	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	8	171.8	-67	-19.3	0	0	0	112.6
287	V	97.8	Very high	92.6	Very high	86 Å²	86	80 Å²	80	52%	0.521	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.9	-179.7	-170.4	0	0	0	0	108.4	Y267 H268 T285	Y267-V287 WeakPolarHBondContact CA-O 3.44Å; H268-V287 HydrophobicContact CB-CB 4.36Å; H268-V287 VanDerWaalsContact CD2-CG1 3.48Å; H268-V287 WeakPolarHBondContact CD2-CG1 3.16Å; H268-V287 PolarHBondContact CD2-O 3.49Å; H268-V287 PolarHBondContact N-O 2.86Å; T285-V287 VanDerWaalsContact C-N 3.27Å; T285-V287 PolarHBondContact OG1-N 3.45Å
288	S	97.8	Very high	94.2	Very high	78 Å²	78	76 Å²	76	55%	0.545	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144	173.8	-173.4	0	0	0	0	110.4	T266	T266-S288 WeakPolarHBondContact O-CA 3.43Å; T266-S288 PolarHBondContact O-OG 3.21Å; T266-S288 VanDerWaalsContact O-OG 3.13Å
289	K	97.5	Very high	95.6	Very high	22 Å²	22	64.3 Å²	64.3	10%	0.096	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-84.1	147.4	174.8	-71.3	178.2	60.6	66.7	0	110.6	T266 Y267 W327 D330 T331	T266-K289 PolarHBondContact O-N 3.35Å; Y267-K289 WeakPolarHBondContact O-CD 3.01Å; K289-W327 VanDerWaalsContact CE-CE2 3.49Å; K289-W327 WeakPolarHBondContact CE-O 3.23Å; K289-W327 PolarHBondContact NZ-O 3.19Å; K289-D330 IonicContact NZ-OD1 3.27Å; K289-D330 PolarHBondContact NZ-OD1 3Å; K289-T331 HydrophobicContact CD-CG2 3.96Å
290	E	96.7	Very high	96.5	Very high	166 Å²	166	61.3 Å²	61.3	78%	0.776	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-60.8	157.6	163.2	-63.7	-173	168.7	0	0	110.9	W327	E290-W327 PolarHBondContact O-NE1 3.12Å
291	A	97.2	Very high	96.9	Very high	82 Å²	82	57.1 Å²	57.1	68%	0.678	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-56.2	151.4	174.3	0	0	0	0	0	111
292	P	97.3	Very high	97.1	Very high	27 Å²	27	57.3 Å²	57.3	18%	0.175	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-53.9	141.8	175.4	-20.8	29.6	0	0	0	111.2	I296 I298 F324 W327	P292-I296 HydrophobicContact CB-CB 4.06Å; P292-I296 HydrophobicContact CB-CG2 4.39Å; P292-I296 WeakPolarHBondContact CB-O 3.34Å; P292-I298 HydrophobicContact CB-CD1 4.16Å; P292-I298 HydrophobicContact CG-CD1 3.56Å; P292-I298 HydrophobicContact CG-CG1 3.65Å; P292-F324 HydrophobicContact CB-CD2 4.39Å; P292-F324 HydrophobicContact CB-CE2 4.25Å; P292-W327 HydrophobicContact CB-CD2 4.48Å; P292-W327 HydrophobicContact CB-CH2 4.47Å; P292-W327 HydrophobicContact CB-CZ2 4.31Å; P292-W327 HydrophobicContact CG-CH2 3.83Å; P292-W327 HydrophobicContact CG-CZ2 3.74Å; P292-W327 HydrophobicContact CG-CZ3 4.4Å
293	P	97.1	Very high	97.2	Very high	34 Å²	34	57.5 Å²	57.5	22%	0.221	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.2	161.5	-177.5	28.6	-36.4	0	0	0	111.2	N295 I296 D323 F324 W327	P293-N295 PolarHBondContact O-N 3.06Å; P293-N295 VanDerWaalsContact O-N 3.11Å; P293-I296 WeakPolarHBondContact O-CB 2.96Å; P293-I296 WeakPolarHBondContact O-CD1 3.49Å; P293-I296 VanDerWaalsContact O-CG1 3.24Å; P293-I296 WeakPolarHBondContact O-CG1 3.25Å; P293-I296 PolarHBondContact O-N 2.89Å; P293-I296 VanDerWaalsContact O-N 3.15Å; P293-D323 HydrophobicContact CB-CB 4.31Å; P293-D323 HydrophobicContact CG-CB 4.06Å; P293-F324 HydrophobicContact CG-CB 4.45Å; P293-W327 HydrophobicContact CG-CB 4.29Å
294	H	96.6	Very high	97.3	Very high	101 Å²	101	57 Å²	57	47%	0.468	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	57.9	26.9	172.9	-52.5	-65.6	0	0	0	115.1	I296 V320 D323	H294-I296 HydrophobicContact CB-CG1 4.41Å; H294-I296 PolarHBondContact O-N 2.82Å; H294-V320 HydrophobicContact CB-CG1 3.84Å; H294-D323 IonicContact CD2-OD2 2.9Å; H294-D323 IonicContact CE1-OD2 3.92Å; H294-D323 IonicContact NE2-OD2 2.63Å; H294-D323 PolarHBondContact NE2-OD2 2.96Å
295	N	94.8	Very high	97.5	Very high	140 Å²	140	51.7 Å²	51.7	75%	0.749	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	53.9	38.3	-177.5	-166.5	35.7	0	0	0	112.3	P293 R354	P293-N295 PolarHBondContact O-N 3.06Å; P293-N295 VanDerWaalsContact O-N 3.11Å; N295-R354 PolarHBondContact O-NH1 2.92Å
296	I	97.4	Very high	97.6	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.3	127.6	172.8	-70.5	170.6	0	0	0	108.5	P292 P293 H294 V320 F324 T341 V345	P292-I296 HydrophobicContact CB-CB 4.06Å; P292-I296 HydrophobicContact CB-CG2 4.39Å; P292-I296 WeakPolarHBondContact CB-O 3.34Å; P293-I296 WeakPolarHBondContact O-CB 2.96Å; P293-I296 WeakPolarHBondContact O-CD1 3.49Å; P293-I296 VanDerWaalsContact O-CG1 3.24Å; P293-I296 WeakPolarHBondContact O-CG1 3.25Å; P293-I296 PolarHBondContact O-N 2.89Å; P293-I296 VanDerWaalsContact O-N 3.15Å; H294-I296 HydrophobicContact CB-CG1 4.41Å; H294-I296 PolarHBondContact O-N 2.82Å; I296-V320 HydrophobicContact CD1-CG1 3.94Å; I296-F324 HydrophobicContact CD1-CB 3.77Å; I296-F324 HydrophobicContact CD1-CD2 3.95Å; I296-F324 HydrophobicContact CD1-CG 3.9Å; I296-F324 HydrophobicContact CG2-CD2 4.16Å; I296-F324 HydrophobicContact CG2-CE2 4.01Å; I296-F324 HydrophobicContact CG2-CZ 4.42Å; I296-T341 HydrophobicContact CG2-CG2 3.25Å; I296-V345 HydrophobicContact CG1-CG2 4.42Å
297	Q	97.4	Very high	97.7	Very high	88 Å²	88	44.1 Å²	44.1	41%	0.411	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-90.2	126.8	172.9	-178.4	176.8	2.8	0	0	109.2	F299 T341	Q297-F299 HydrophobicContact CB-CE2 4.2Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE2 3.93Å; Q297-F299 WeakPolarHBondContact O-CD2 3.47Å; Q297-T341 WeakPolarHBondContact O-CG2 3.21Å
298	I	98.4	Very high	97.7	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.077	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-72.4	135.4	178.8	-58.3	-57.9	0	0	0	110.9	P257 F265 P292 F324 W327 H337 T341	P257-I298 VanDerWaalsContact CD-O 3.24Å; P257-I298 WeakPolarHBondContact CD-O 3.47Å; P257-I298 HydrophobicContact CG-CB 4.36Å; P257-I298 HydrophobicContact CG-CG2 4.05Å; P257-I298 WeakPolarHBondContact CG-O 3.19Å; F265-I298 HydrophobicContact CD1-CG2 4.08Å; F265-I298 HydrophobicContact CD2-CG1 4.12Å; F265-I298 HydrophobicContact CD2-CG2 4.27Å; F265-I298 HydrophobicContact CE1-CG2 3.78Å; F265-I298 HydrophobicContact CE2-CB 4.11Å; F265-I298 HydrophobicContact CE2-CG1 4.13Å; F265-I298 HydrophobicContact CE2-CG2 3.98Å; F265-I298 HydrophobicContact CG-CG2 4.31Å; F265-I298 HydrophobicContact CZ-CB 4.21Å; F265-I298 HydrophobicContact CZ-CG2 3.7Å; P292-I298 HydrophobicContact CB-CD1 4.16Å; P292-I298 HydrophobicContact CG-CD1 3.56Å; P292-I298 HydrophobicContact CG-CG1 3.65Å; I298-F324 HydrophobicContact CD1-CE2 3.59Å; I298-F324 HydrophobicContact CD1-CZ 3.78Å; I298-W327 HydrophobicContact CD1-CH2 3.89Å; I298-W327 HydrophobicContact CD1-CZ3 3.83Å; I298-W327 HydrophobicContact CG1-CH2 4.3Å; I298-H337 HydrophobicContact CG2-CB 4.27Å; I298-T341 HydrophobicContact CD1-CG2 4.24Å
299	F	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.			trans	-123.2	155.6	164.6	-70.9	-102.2	0	0	0	108.8	V255 K256 Q297 H337 A340 T341 R344 R354	V255-F299 WeakPolarHBondContact O-CA 3.5Å; K256-F299 HydrophobicContact CG-CD1 4.44Å; K256-F299 HydrophobicContact CG-CE1 4Å; Q297-F299 HydrophobicContact CB-CE2 4.2Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE2 3.93Å; Q297-F299 WeakPolarHBondContact O-CD2 3.47Å; F299-H337 WeakPolarHBondContact O-CA 3.31Å; F299-H337 WeakPolarHBondContact O-CB 3.29Å; F299-A340 HydrophobicContact CB-CB 4.28Å; F299-A340 WeakPolarHBondContact CB-O 3.37Å; F299-T341 PolarHBondContact N-OG1 3.3Å; F299-T341 PolarHBondContact O-OG1 3.38Å; F299-R344 HydrophobicContact CB-CG 4.44Å; F299-R344 HydrophobicContact CD1-CG 4.07Å; F299-R344 HydrophobicContact CD2-CB 3.74Å; F299-R344 HydrophobicContact CD2-CG 3.66Å; F299-R344 HydrophobicContact CE1-CG 4.22Å; F299-R344 HydrophobicContact CE2-CB 3.69Å; F299-R344 HydrophobicContact CE2-CG 3.82Å; F299-R344 HydrophobicContact CG-CB 4.4Å; F299-R344 HydrophobicContact CG-CG 3.8Å; F299-R344 HydrophobicContact CZ-CB 4.3Å; F299-R344 HydrophobicContact CZ-CG 4.11Å; F299-R354 HydrophobicContact CZ-CB 4.47Å
300	V	98.6	Very high	97.8	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-116.5	156.1	177.6	-59.4	0	0	0	0	110.5	T254 V255 P257 K261 F265 E336 H337	T254-V300 WeakPolarHBondContact CA-O 3.38Å; V255-V300 HydrophobicContact CG2-CG2 3.57Å; V255-V300 PolarHBondContact N-O 3.39Å; V255-V300 PolarHBondContact O-N 3.42Å; P257-V300 HydrophobicContact CB-CG1 3.93Å; P257-V300 HydrophobicContact CG-CG1 4.1Å; K261-V300 HydrophobicContact CB-CG1 4.49Å; K261-V300 HydrophobicContact CD-CB 4.27Å; K261-V300 HydrophobicContact CD-CG1 4.22Å; K261-V300 HydrophobicContact CD-CG2 4.26Å; F265-V300 HydrophobicContact CE1-CG1 4.24Å; V300-E336 CarbonylContact C-O 3.53Å; V300-E336 WeakPolarHBondContact CA-O 3.34Å; V300-H337 HydrophobicContact CG1-CB 4.29Å
301	G	97.8	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	19%	0.185	C	C	.	.			trans	-168.4	-142.5	175.1	0	0	0	0	0	110.4	E336	G301-E336 PolarHBondContact N-O 2.71Å; G301-E336 WeakPolarHBondContact O-CB 3.45Å
302	S	97.3	Very high	98	Very high	25 Å²	25	27.6 Å²	27.6	18%	0.175	15%	0.153	C	C	.	.			trans	-109	170.6	176.9	75.8	0	0	0	0	112.2	E253 Y304	E253-S302 WeakPolarHBondContact OE2-CB 3.4Å; E253-S302 PolarHBondContact OE2-N 3.21Å; E253-S302 VanDerWaalsContact OE2-N 3.16Å; S302-Y304 PolarHBondContact O-N 2.92Å; S302-Y304 PolarHBondContact OG-N 3.23Å
303	A	98.1	Very high	98	Very high	11 Å²	11	30.5 Å²	30.5	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-70.7	-9.4	172.1	0	0	0	0	0	113.3	N225 D335	N225-A303 PolarHBondContact ND2-O 2.68Å; A303-D335 HydrophobicContact CB-CB 3.92Å
304	Y	98.6	Very high	98.1	Very high	36 Å²	36	32.2 Å²	32.2	14%	0.141	17%	0.165	C	C	.	.			trans	-101.1	134	-169.8	-54.1	-63.1	0	0	0	112.5	N225 S302 R367	N225-Y304 VanDerWaalsContact OD1-CA 3.28Å; N225-Y304 WeakPolarHBondContact OD1-CA 3.46Å; S302-Y304 PolarHBondContact O-N 2.92Å; S302-Y304 PolarHBondContact OG-N 3.23Å; Y304-R367 HydrophobicContact CD2-CB 3.89Å; Y304-R367 HydrophobicContact CD2-CG 3.85Å; Y304-R367 HydrophobicContact CE2-CG 4.09Å; Y304-R367 HydrophobicContact CG-CB 4.25Å; Y304-R367 HydrophobicContact CG-CG 4.39Å
305	F	98.8	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.6	-174	56.1	-108.2	0	0	0	113	D206 L210 V223 N225 L252 L307 W339	D206-F305 HydrophobicContact CB-CE1 4.42Å; D206-F305 HydrophobicContact CB-CZ 4.32Å; L210-F305 HydrophobicContact CD1-CZ 4.06Å; L210-F305 HydrophobicContact CD2-CE2 4.34Å; L210-F305 HydrophobicContact CD2-CZ 4.45Å; V223-F305 HydrophobicContact CG1-CE2 4.25Å; N225-F305 HydrophobicContact CB-CD2 4.29Å; N225-F305 HydrophobicContact CB-CE1 3.98Å; N225-F305 HydrophobicContact CB-CE2 3.7Å; N225-F305 HydrophobicContact CB-CZ 3.53Å; N225-F305 VanDerWaalsContact CG-CE1 3.48Å; N225-F305 PolarHBondContact N-O 3.24Å; N225-F305 VanDerWaalsContact ND2-CE1 3.3Å; N225-F305 WeakPolarHBondContact ND2-CE1 3.38Å; N225-F305 PolarHBondContact OD1-N 3.06Å; N225-F305 PolarHBondContact OD1-O 2.91Å; L252-F305 HydrophobicContact CB-CB 4.13Å; L252-F305 HydrophobicContact CD2-CB 4.02Å; F305-L307 HydrophobicContact CB-CD1 4.36Å; F305-L307 HydrophobicContact CB-CD2 4.17Å; F305-L307 HydrophobicContact CB-CG 3.96Å; F305-L307 HydrophobicContact CD1-CD1 4.31Å; F305-L307 HydrophobicContact CD2-CB 4.32Å; F305-L307 HydrophobicContact CD2-CD1 3.48Å; F305-L307 VanDerWaalsContact CD2-CD1 3.48Å; F305-L307 HydrophobicContact CD2-CG 3.47Å; F305-L307 VanDerWaalsContact CD2-CG 3.47Å; F305-L307 HydrophobicContact CE2-CD1 3.72Å; F305-L307 HydrophobicContact CE2-CG 4.14Å; F305-L307 HydrophobicContact CG-CD1 3.79Å; F305-L307 HydrophobicContact CG-CG 3.83Å; F305-L307 HydrophobicContact CZ-CD1 4.23Å; F305-W339 AromaticContact CD1-CD1 3.74Å; F305-W339 AromaticContact CD1-CD2 3.83Å; F305-W339 HydrophobicContact CD1-CD2 3.83Å; F305-W339 AromaticContact CD1-CE2 3.7Å; F305-W339 AromaticContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CZ2 4.31Å; F305-W339 AromaticContact CD1-NE1 3.62Å; F305-W339 AromaticContact CE1-CD2 3.93Å; F305-W339 HydrophobicContact CE1-CD2 3.93Å; F305-W339 AromaticContact CE1-CE2 3.36Å; F305-W339 HydrophobicContact CE1-CG 4.34Å; F305-W339 HydrophobicContact CE1-CH2 4.28Å; F305-W339 AromaticContact CE1-CZ2 3.55Å; F305-W339 HydrophobicContact CE1-CZ2 3.55Å; F305-W339 AromaticContact CE1-NE1 3.46Å; F305-W339 HydrophobicContact CZ-CZ2 4.13Å
306	V	98.8	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.2	157.4	170.9	0	0	0	0	108	Y222 V223 I224 L243 L246 M251 T366 W407	Y222-V306 HydrophobicContact CD1-CG1 3.71Å; Y222-V306 HydrophobicContact CG-CG1 4.2Å; V223-V306 WeakPolarHBondContact O-CA 3.26Å; I224-V306 HydrophobicContact CB-CG2 4.36Å; I224-V306 HydrophobicContact CD1-CG2 4.24Å; I224-V306 HydrophobicContact CG1-CG2 3.89Å; I224-V306 HydrophobicContact CG2-CG2 4.07Å; L243-V306 HydrophobicContact CD2-CG1 3.49Å; L243-V306 VanDerWaalsContact CD2-CG1 3.49Å; L246-V306 HydrophobicContact CD1-CG1 4.12Å; M251-V306 HydrophobicContact CB-CB 4.29Å; M251-V306 PolarHBondContact N-O 3.3Å; M251-V306 PolarHBondContact O-N 3.15Å; V306-T366 HydrophobicContact CB-CG2 4.4Å; V306-T366 HydrophobicContact CG2-CG2 4.12Å; V306-W407 HydrophobicContact CB-CE3 4.5Å; V306-W407 HydrophobicContact CB-CZ3 3.83Å; V306-W407 HydrophobicContact CG1-CZ3 4.03Å; V306-W407 HydrophobicContact CG2-CE3 3.69Å; V306-W407 HydrophobicContact CG2-CZ3 3.51Å
307	L	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.3	-174.2	-58.7	173.7	0	0	0	110.5	Y222 V223 N250 L252 F305 F311 V312 W339	Y222-L307 CarbonylContact C-O 3.51Å; Y222-L307 VanDerWaalsContact CA-O 3.27Å; Y222-L307 WeakPolarHBondContact CA-O 3.21Å; Y222-L307 WeakPolarHBondContact CD1-O 3.46Å; V223-L307 HydrophobicContact CG1-CB 3.9Å; V223-L307 PolarHBondContact N-O 3.31Å; V223-L307 PolarHBondContact O-N 3.31Å; N250-L307 HydrophobicContact CB-CD2 4.03Å; N250-L307 WeakPolarHBondContact OD1-CA 3.46Å; L252-L307 HydrophobicContact CD2-CD2 3.56Å; F305-L307 HydrophobicContact CB-CD1 4.36Å; F305-L307 HydrophobicContact CB-CD2 4.17Å; F305-L307 HydrophobicContact CB-CG 3.96Å; F305-L307 HydrophobicContact CD1-CD1 4.31Å; F305-L307 HydrophobicContact CD2-CB 4.32Å; F305-L307 HydrophobicContact CD2-CD1 3.48Å; F305-L307 VanDerWaalsContact CD2-CD1 3.48Å; F305-L307 HydrophobicContact CD2-CG 3.47Å; F305-L307 VanDerWaalsContact CD2-CG 3.47Å; F305-L307 HydrophobicContact CE2-CD1 3.72Å; F305-L307 HydrophobicContact CE2-CG 4.14Å; F305-L307 HydrophobicContact CG-CD1 3.79Å; F305-L307 HydrophobicContact CG-CG 3.83Å; F305-L307 HydrophobicContact CZ-CD1 4.23Å; L307-F311 HydrophobicContact CB-CD1 4.09Å; L307-F311 HydrophobicContact CD1-CD1 3.85Å; L307-F311 HydrophobicContact CD1-CE1 3.78Å; L307-F311 HydrophobicContact CD2-CD1 3.8Å; L307-F311 HydrophobicContact CD2-CE1 3.77Å; L307-F311 HydrophobicContact CD2-CG 4.32Å; L307-F311 HydrophobicContact CD2-CZ 4.24Å; L307-F311 HydrophobicContact CG-CD1 4.11Å; L307-F311 HydrophobicContact CG-CE1 4.28Å; L307-V312 HydrophobicContact CB-CG2 3.94Å; L307-V312 HydrophobicContact CD1-CG2 4.43Å; L307-W339 HydrophobicContact CD1-CE3 4.11Å; L307-W339 HydrophobicContact CD1-CZ3 4.09Å
308	S	98.8	Very high	98	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151.2	172.4	68.8	0	0	0	0	110.6	N250 A310 F311 V312	N250-S308 PolarHBondContact OD1-N 3.22Å; N250-S308 PolarHBondContact OD1-OG 2.78Å; S308-A310 PolarHBondContact O-N 3.43Å; S308-F311 WeakPolarHBondContact O-CB 3.26Å; S308-F311 PolarHBondContact O-N 2.9Å; S308-F311 VanDerWaalsContact O-N 3.13Å; S308-F311 WeakPolarHBondContact OG-CB 3.49Å; S308-F311 PolarHBondContact OG-N 3.25Å; S308-F311 VanDerWaalsContact OG-N 3.16Å; S308-V312 WeakPolarHBondContact O-CG2 3.32Å; S308-V312 PolarHBondContact O-N 2.54Å; S308-V312 VanDerWaalsContact O-N 3.1Å
309	Q	98.5	Very high	97.9	Very high	30 Å²	30	30.5 Å²	30.5	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-34.4	174.5	-169.8	-174.7	77.8	0	0	112.2	L214 W220 K221 V312 K313	L214-Q309 HydrophobicContact CD2-CG 4.24Å; W220-Q309 HydrophobicContact CD2-CB 4.38Å; W220-Q309 HydrophobicContact CD2-CG 4.16Å; W220-Q309 HydrophobicContact CE3-CB 3.67Å; W220-Q309 HydrophobicContact CE3-CG 3.89Å; W220-Q309 HydrophobicContact CH2-CB 3.87Å; W220-Q309 HydrophobicContact CH2-CG 3.6Å; W220-Q309 HydrophobicContact CZ2-CG 3.85Å; W220-Q309 HydrophobicContact CZ3-CB 3.38Å; W220-Q309 HydrophobicContact CZ3-CG 3.62Å; W220-Q309 VanDerWaalsContact O-CD 3.27Å; W220-Q309 PolarHBondContact O-NE2 3.41Å; W220-Q309 VanDerWaalsContact O-NE2 3.07Å; K221-Q309 PolarHBondContact O-N 3.26Å; Q309-V312 PolarHBondContact O-N 3.18Å; Q309-K313 HydrophobicContact CG-CD 4.22Å; Q309-K313 HydrophobicContact CG-CG 4.47Å; Q309-K313 WeakPolarHBondContact O-CB 3.33Å; Q309-K313 WeakPolarHBondContact O-CG 3.03Å; Q309-K313 PolarHBondContact O-N 3.27Å
310	A	98.4	Very high	97.8	Very high	53 Å²	53	32.3 Å²	32.3	44%	0.438	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-44.1	176.9	0	0	0	0	0	111.8	S308 K313 Y314 P349	S308-A310 PolarHBondContact O-N 3.43Å; A310-K313 PolarHBondContact O-N 2.88Å; A310-Y314 WeakPolarHBondContact O-CB 3.42Å; A310-Y314 PolarHBondContact O-N 3.25Å; A310-P349 HydrophobicContact CB-CB 3.86Å; A310-P349 HydrophobicContact CB-CG 4.4Å
311	F	98.7	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-48.1	174.5	-178.4	-82.4	0	0	0	111	N250 L307 S308 K313 Y314 I315 L342 I348 P349	N250-F311 VanDerWaalsContact ND2-CD2 3.34Å; N250-F311 WeakPolarHBondContact ND2-CD2 3.46Å; N250-F311 WeakPolarHBondContact OD1-CB 3.25Å; L307-F311 HydrophobicContact CB-CD1 4.09Å; L307-F311 HydrophobicContact CD1-CD1 3.85Å; L307-F311 HydrophobicContact CD1-CE1 3.78Å; L307-F311 HydrophobicContact CD2-CD1 3.8Å; L307-F311 HydrophobicContact CD2-CE1 3.77Å; L307-F311 HydrophobicContact CD2-CG 4.32Å; L307-F311 HydrophobicContact CD2-CZ 4.24Å; L307-F311 HydrophobicContact CG-CD1 4.11Å; L307-F311 HydrophobicContact CG-CE1 4.28Å; S308-F311 WeakPolarHBondContact O-CB 3.26Å; S308-F311 PolarHBondContact O-N 2.9Å; S308-F311 VanDerWaalsContact O-N 3.13Å; S308-F311 WeakPolarHBondContact OG-CB 3.49Å; S308-F311 PolarHBondContact OG-N 3.25Å; S308-F311 VanDerWaalsContact OG-N 3.16Å; F311-K313 PolarHBondContact O-N 2.88Å; F311-Y314 WeakPolarHBondContact O-CB 3.44Å; F311-Y314 PolarHBondContact O-N 3Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; F311-I315 HydrophobicContact CD1-CG2 4.04Å; F311-I315 HydrophobicContact CE1-CG2 3.65Å; F311-I315 HydrophobicContact CZ-CG2 4.06Å; F311-I315 PolarHBondContact O-N 2.82Å; F311-L342 HydrophobicContact CZ-CB 3.92Å; F311-I348 HydrophobicContact CD2-CD1 3.85Å; F311-I348 HydrophobicContact CD2-CG1 3.71Å; F311-I348 HydrophobicContact CD2-CG2 4.43Å; F311-I348 HydrophobicContact CE2-CD1 3.32Å; F311-I348 HydrophobicContact CE2-CG1 3.66Å; F311-I348 HydrophobicContact CE2-CG2 4.14Å; F311-I348 HydrophobicContact CZ-CD1 3.81Å; F311-P349 WeakPolarHBondContact CD2-O 3.42Å
312	V	98.6	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-41.3	-179.5	-175.7	0	0	0	0	111.5	L210 L214 W220 V223 L307 S308 Q309 Y314 I315 F316	L210-V312 HydrophobicContact CB-CG1 3.96Å; L210-V312 HydrophobicContact CD2-CG1 4.24Å; L210-V312 HydrophobicContact CD2-CG2 4.33Å; L210-V312 HydrophobicContact CG-CG1 4.47Å; L214-V312 HydrophobicContact CD1-CG1 3.96Å; L214-V312 HydrophobicContact CD2-CB 4.43Å; L214-V312 HydrophobicContact CD2-CG1 4.11Å; L214-V312 HydrophobicContact CG-CG1 3.95Å; W220-V312 HydrophobicContact CH2-CB 4.04Å; W220-V312 HydrophobicContact CH2-CG1 4.25Å; W220-V312 HydrophobicContact CH2-CG2 4.1Å; V223-V312 HydrophobicContact CG1-CG2 3.66Å; L307-V312 HydrophobicContact CB-CG2 3.94Å; L307-V312 HydrophobicContact CD1-CG2 4.43Å; S308-V312 WeakPolarHBondContact O-CG2 3.32Å; S308-V312 PolarHBondContact O-N 2.54Å; S308-V312 VanDerWaalsContact O-N 3.1Å; Q309-V312 PolarHBondContact O-N 3.18Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.35Å; V312-I315 WeakPolarHBondContact O-CG1 3.47Å; V312-F316 HydrophobicContact CG1-CD2 4.29Å; V312-F316 HydrophobicContact CG1-CE2 3.98Å; V312-F316 VanDerWaalsContact O-CD2 3.28Å; V312-F316 WeakPolarHBondContact O-CD2 3.49Å
313	K	98.1	Very high	97.7	Very high	87 Å²	87	38.4 Å²	38.4	38%	0.378	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-38.5	173.5	-77.1	174	172.3	168	0	112.2	L214 Q309 A310 F311 N317	L214-K313 HydrophobicContact CD1-CG 4.4Å; L214-K313 HydrophobicContact CD2-CD 4.42Å; L214-K313 HydrophobicContact CD2-CG 3.46Å; L214-K313 VanDerWaalsContact CD2-CG 3.46Å; Q309-K313 HydrophobicContact CG-CD 4.22Å; Q309-K313 HydrophobicContact CG-CG 4.47Å; Q309-K313 WeakPolarHBondContact O-CB 3.33Å; Q309-K313 WeakPolarHBondContact O-CG 3.03Å; Q309-K313 PolarHBondContact O-N 3.27Å; A310-K313 PolarHBondContact O-N 2.88Å; F311-K313 PolarHBondContact O-N 2.88Å; K313-N317 PolarHBondContact O-ND2 2.89Å; K313-N317 VanDerWaalsContact O-ND2 3.09Å
314	Y	98	Very high	97.7	Very high	71 Å²	71	37.9 Å²	37.9	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-44.9	-178.8	-173.7	-88.6	0	0	0	112.3	A310 F311 V312 F316 N317 N318 I321 I348 P349	A310-Y314 WeakPolarHBondContact O-CB 3.42Å; A310-Y314 PolarHBondContact O-N 3.25Å; F311-Y314 WeakPolarHBondContact O-CB 3.44Å; F311-Y314 PolarHBondContact O-N 3Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.35Å; Y314-F316 VanDerWaalsContact C-N 3.27Å; Y314-F316 PolarHBondContact O-N 2.91Å; Y314-N317 PolarHBondContact O-N 2.73Å; Y314-N317 VanDerWaalsContact O-N 3.12Å; Y314-N318 HydrophobicContact CD1-CB 4.17Å; Y314-N318 HydrophobicContact CE1-CB 3.95Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.43Å; Y314-N318 VanDerWaalsContact O-CB 3.3Å; Y314-N318 WeakPolarHBondContact O-CB 3.46Å; Y314-N318 PolarHBondContact O-N 3.27Å; Y314-N318 PolarHBondContact OH-ND2 3.03Å; Y314-I321 HydrophobicContact CE1-CG1 4.36Å; Y314-I348 HydrophobicContact CD1-CD1 3.89Å; Y314-I348 HydrophobicContact CD1-CG1 3.6Å; Y314-I348 HydrophobicContact CE1-CB 4.31Å; Y314-I348 HydrophobicContact CE1-CD1 4.1Å; Y314-I348 HydrophobicContact CE1-CG1 3.8Å; Y314-I348 HydrophobicContact CG-CG1 4.34Å; Y314-P349 HydrophobicContact CD2-CG 4.07Å; Y314-P349 HydrophobicContact CG-CG 4.1Å
315	I	96.8	Very high	97.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-31.1	-176	61.7	169.5	0	0	0	113.5	L207 L210 F311 V312 I321 Q322 W339 L342 I348	L207-I315 HydrophobicContact CD2-CD1 4.19Å; L210-I315 HydrophobicContact CD1-CD1 4.4Å; F311-I315 HydrophobicContact CD1-CG2 4.04Å; F311-I315 HydrophobicContact CE1-CG2 3.65Å; F311-I315 HydrophobicContact CZ-CG2 4.06Å; F311-I315 PolarHBondContact O-N 2.82Å; V312-I315 WeakPolarHBondContact O-CG1 3.47Å; I315-I321 HydrophobicContact CB-CG2 3.89Å; I315-I321 HydrophobicContact CG2-CG2 4.14Å; I315-Q322 PolarHBondContact O-NE2 2.88Å; I315-Q322 VanDerWaalsContact O-NE2 3.09Å; I315-W339 HydrophobicContact CD1-CH2 4.32Å; I315-W339 HydrophobicContact CD1-CZ3 3.96Å; I315-L342 HydrophobicContact CG2-CD1 3.93Å; I315-I348 HydrophobicContact CG2-CD1 4.21Å
316	F	96.4	Very high	97.7	Very high	58 Å²	58	39.5 Å²	39.5	25%	0.254	22%	0.218	S	C	.	.	H	α-helix	trans	-82	-17.9	178.5	-74	-71.4	0	0	0	113.9	L207 L210 L214 V312 Y314	L207-F316 HydrophobicContact CB-CZ 4.46Å; L207-F316 HydrophobicContact CD2-CE1 4.37Å; L207-F316 HydrophobicContact CD2-CZ 4.03Å; L207-F316 WeakPolarHBondContact O-CZ 3.06Å; L210-F316 HydrophobicContact CB-CE2 3.84Å; L210-F316 HydrophobicContact CB-CZ 4.02Å; L214-F316 HydrophobicContact CD1-CD2 3.56Å; L214-F316 HydrophobicContact CD1-CE2 4.12Å; L214-F316 HydrophobicContact CD1-CG 4.42Å; V312-F316 HydrophobicContact CG1-CD2 4.29Å; V312-F316 HydrophobicContact CG1-CE2 3.98Å; V312-F316 VanDerWaalsContact O-CD2 3.28Å; V312-F316 WeakPolarHBondContact O-CD2 3.49Å; Y314-F316 VanDerWaalsContact C-N 3.27Å; Y314-F316 PolarHBondContact O-N 2.91Å
317	N	95.3	Very high	97.7	Very high	143 Å²	143	41 Å²	41	77%	0.765	22%	0.224	S	C	*	.	H	α-helix	trans	-110.5	6.7	-174.6	-67.7	-34.8	0	0	0	113.5	K313 Y314	K313-N317 PolarHBondContact O-ND2 2.89Å; K313-N317 VanDerWaalsContact O-ND2 3.09Å; Y314-N317 PolarHBondContact O-N 2.73Å; Y314-N317 VanDerWaalsContact O-N 3.12Å
318	N	96.8	Very high	97.6	Very high	31 Å²	31	41 Å²	41	17%	0.166	22%	0.224	C	C	.	.			trans	-118.3	121.8	-174.8	-173	-63.5	0	0	0	111.6	Y314 V320 I321 Q322	Y314-N318 HydrophobicContact CD1-CB 4.17Å; Y314-N318 HydrophobicContact CE1-CB 3.95Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.43Å; Y314-N318 VanDerWaalsContact O-CB 3.3Å; Y314-N318 WeakPolarHBondContact O-CB 3.46Å; Y314-N318 PolarHBondContact O-N 3.27Å; Y314-N318 PolarHBondContact OH-ND2 3.03Å; N318-V320 PolarHBondContact O-N 2.91Å; N318-V320 WeakPolarHBondContact OD1-CA 3.35Å; N318-V320 WeakPolarHBondContact OD1-CB 3.38Å; N318-V320 PolarHBondContact OD1-N 3.21Å; N318-I321 HydrophobicContact CB-CB 4.43Å; N318-I321 HydrophobicContact CB-CG1 3.84Å; N318-I321 PolarHBondContact O-N 3.05Å; N318-I321 PolarHBondContact OD1-N 3.49Å; N318-Q322 PolarHBondContact O-N 3.23Å
319	S	96.5	Very high	97.6	Very high	83 Å²	83	46 Å²	46	58%	0.58	24%	0.244	S	C	*	.	H	α-helix	trans	-64.7	-34.5	-177.6	56.5	0	0	0	0	113.7	I321 Q322 D323	S319-I321 PolarHBondContact O-N 2.95Å; S319-Q322 PolarHBondContact O-N 3.06Å; S319-Q322 VanDerWaalsContact O-N 3.11Å; S319-D323 VanDerWaalsContact O-CG 3.31Å; S319-D323 PolarHBondContact O-N 3.4Å
320	V	96.5	Very high	97.5	Very high	38 Å²	38	46.9 Å²	46.9	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-38.7	176.2	172.4	0	0	0	0	110.7	H294 I296 N318 F324	H294-V320 HydrophobicContact CB-CG1 3.84Å; I296-V320 HydrophobicContact CD1-CG1 3.94Å; N318-V320 PolarHBondContact O-N 2.91Å; N318-V320 WeakPolarHBondContact OD1-CA 3.35Å; N318-V320 WeakPolarHBondContact OD1-CB 3.38Å; N318-V320 PolarHBondContact OD1-N 3.21Å; V320-F324 WeakPolarHBondContact O-CB 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å
321	I	96.7	Very high	97.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-72.7	-37.3	178.6	-51.2	-63.1	0	0	0	111.3	Y314 I315 N318 S319 F324 F325 F338 L342 I348	Y314-I321 HydrophobicContact CE1-CG1 4.36Å; I315-I321 HydrophobicContact CB-CG2 3.89Å; I315-I321 HydrophobicContact CG2-CG2 4.14Å; N318-I321 HydrophobicContact CB-CB 4.43Å; N318-I321 HydrophobicContact CB-CG1 3.84Å; N318-I321 PolarHBondContact O-N 3.05Å; N318-I321 PolarHBondContact OD1-N 3.49Å; S319-I321 PolarHBondContact O-N 2.95Å; I321-F324 PolarHBondContact O-N 3.2Å; I321-F325 WeakPolarHBondContact O-CB 3.45Å; I321-F325 PolarHBondContact O-N 2.95Å; I321-F338 HydrophobicContact CG2-CZ 4.36Å; I321-L342 HydrophobicContact CD1-CD1 4.32Å; I321-L342 HydrophobicContact CD1-CD2 3.5Å; I321-L342 HydrophobicContact CD1-CG 4.45Å; I321-L342 HydrophobicContact CG2-CD1 3.67Å; I321-L342 HydrophobicContact CG2-CD2 4.22Å; I321-I348 HydrophobicContact CD1-CD1 4.17Å
322	Q	96.7	Very high	97.5	Very high	82 Å²	82	47 Å²	47	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-40.9	175.3	-61.9	-56.1	-43.9	0	0	111.8	I315 N318 S319 F325 A326	I315-Q322 PolarHBondContact O-NE2 2.88Å; I315-Q322 VanDerWaalsContact O-NE2 3.09Å; N318-Q322 PolarHBondContact O-N 3.23Å; S319-Q322 PolarHBondContact O-N 3.06Å; S319-Q322 VanDerWaalsContact O-N 3.11Å; Q322-F325 PolarHBondContact O-N 2.84Å; Q322-A326 WeakPolarHBondContact O-CB 3.4Å; Q322-A326 PolarHBondContact O-N 3.01Å
323	D	98.1	Very high	97.5	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-42.5	175.4	-66.1	-20.8	0	0	0	111.2	P293 H294 S319 A326 W327	P293-D323 HydrophobicContact CB-CB 4.31Å; P293-D323 HydrophobicContact CG-CB 4.06Å; H294-D323 IonicContact CD2-OD2 2.9Å; H294-D323 IonicContact CE1-OD2 3.92Å; H294-D323 IonicContact NE2-OD2 2.63Å; H294-D323 PolarHBondContact NE2-OD2 2.96Å; S319-D323 VanDerWaalsContact O-CG 3.31Å; S319-D323 PolarHBondContact O-N 3.4Å; D323-A326 PolarHBondContact O-N 3.46Å; D323-W327 WeakPolarHBondContact O-CB 3.27Å; D323-W327 PolarHBondContact O-N 2.91Å
324	F	98.4	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-41.8	175.3	-175.8	-118.3	0	0	0	112.2	P292 P293 I296 I298 V320 I321 A326 W327 S328 F338 T341 L342	P292-F324 HydrophobicContact CB-CD2 4.39Å; P292-F324 HydrophobicContact CB-CE2 4.25Å; P293-F324 HydrophobicContact CG-CB 4.45Å; I296-F324 HydrophobicContact CD1-CB 3.77Å; I296-F324 HydrophobicContact CD1-CD2 3.95Å; I296-F324 HydrophobicContact CD1-CG 3.9Å; I296-F324 HydrophobicContact CG2-CD2 4.16Å; I296-F324 HydrophobicContact CG2-CE2 4.01Å; I296-F324 HydrophobicContact CG2-CZ 4.42Å; I298-F324 HydrophobicContact CD1-CE2 3.59Å; I298-F324 HydrophobicContact CD1-CZ 3.78Å; V320-F324 WeakPolarHBondContact O-CB 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å; I321-F324 PolarHBondContact O-N 3.2Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.83Å; F324-W327 AromaticContact CD2-CE3 4Å; F324-W327 HydrophobicContact CD2-CE3 4Å; F324-W327 AromaticContact CE2-CE3 3.66Å; F324-W327 HydrophobicContact CE2-CE3 3.66Å; F324-W327 AromaticContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CZ-CZ3 4.41Å; F324-W327 WeakPolarHBondContact O-CB 3.41Å; F324-W327 PolarHBondContact O-N 3.43Å; F324-S328 PolarHBondContact O-N 3.49Å; F324-S328 PolarHBondContact O-OG 2.99Å; F324-F338 AromaticContact CD1-CD2 3.66Å; F324-F338 HydrophobicContact CD1-CD2 3.66Å; F324-F338 AromaticContact CD1-CE2 3.64Å; F324-F338 HydrophobicContact CD1-CE2 3.64Å; F324-F338 AromaticContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CE2 4.05Å; F324-F338 HydrophobicContact CE1-CG 4.32Å; F324-T341 HydrophobicContact CE1-CG2 3.8Å; F324-T341 HydrophobicContact CE2-CG2 4.16Å; F324-T341 HydrophobicContact CZ-CG2 3.48Å; F324-T341 VanDerWaalsContact CZ-CG2 3.48Å; F324-L342 HydrophobicContact CD1-CD2 3.5Å; F324-L342 VanDerWaalsContact CD1-CD2 3.5Å; F324-L342 HydrophobicContact CD1-CG 4.26Å; F324-L342 HydrophobicContact CE1-CD2 3.94Å; F324-L342 HydrophobicContact CE1-CG 4.38Å; F324-L342 HydrophobicContact CG-CD2 4.43Å
325	F	98.1	Very high	97.5	Very high	20 Å²	20	40.6 Å²	40.6	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-44.1	174	176.8	-108.4	0	0	0	111.9	I200 L203 L207 I321 Q322 W327 S328 K329 F338	I200-F325 HydrophobicContact CD1-CD2 4.49Å; I200-F325 HydrophobicContact CD1-CE2 3.87Å; I200-F325 HydrophobicContact CG1-CE2 4.14Å; I200-F325 HydrophobicContact CG1-CZ 4.32Å; L203-F325 HydrophobicContact CD2-CD2 4.02Å; L203-F325 HydrophobicContact CD2-CE2 3.93Å; L203-F325 HydrophobicContact CG-CE2 4.26Å; L207-F325 HydrophobicContact CD1-CD2 3.7Å; L207-F325 HydrophobicContact CD1-CE2 3.34Å; L207-F325 HydrophobicContact CD1-CG 4.49Å; L207-F325 HydrophobicContact CD1-CZ 3.88Å; I321-F325 WeakPolarHBondContact O-CB 3.45Å; I321-F325 PolarHBondContact O-N 2.95Å; Q322-F325 PolarHBondContact O-N 2.84Å; F325-W327 VanDerWaalsContact C-N 3.32Å; F325-W327 PolarHBondContact O-N 3.34Å; F325-S328 PolarHBondContact O-N 3.21Å; F325-K329 PolarHBondContact O-N 3.25Å; F325-F338 HydrophobicContact CB-CE2 3.77Å; F325-F338 HydrophobicContact CB-CZ 4.07Å; F325-F338 AromaticContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CZ 4.09Å; F325-F338 HydrophobicContact CG-CE2 4.38Å
326	A	98.2	Very high	97.6	Very high	51 Å²	51	42.7 Å²	42.7	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-42.9	175	0	0	0	0	0	111.7	Q322 D323 F324 S328 K329	Q322-A326 WeakPolarHBondContact O-CB 3.4Å; Q322-A326 PolarHBondContact O-N 3.01Å; D323-A326 PolarHBondContact O-N 3.46Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.83Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 3.46Å; A326-K329 WeakPolarHBondContact O-CB 3.33Å; A326-K329 PolarHBondContact O-N 3.15Å
327	W	98.5	Very high	97.7	Very high	32 Å²	32	40.1 Å²	40.1	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-34.4	175.6	177.5	94	0	0	0	112.9	F265 K289 E290 P292 P293 I298 D323 F324 F325 K329 T331	F265-W327 HydrophobicContact CB-CH2 3.89Å; F265-W327 HydrophobicContact CB-CZ3 4.49Å; F265-W327 HydrophobicContact CD2-CH2 4.49Å; F265-W327 WeakPolarHBondContact O-CZ2 3.34Å; K289-W327 VanDerWaalsContact CE-CE2 3.49Å; K289-W327 WeakPolarHBondContact CE-O 3.23Å; K289-W327 PolarHBondContact NZ-O 3.19Å; E290-W327 PolarHBondContact O-NE1 3.12Å; P292-W327 HydrophobicContact CB-CD2 4.48Å; P292-W327 HydrophobicContact CB-CH2 4.47Å; P292-W327 HydrophobicContact CB-CZ2 4.31Å; P292-W327 HydrophobicContact CG-CH2 3.83Å; P292-W327 HydrophobicContact CG-CZ2 3.74Å; P292-W327 HydrophobicContact CG-CZ3 4.4Å; P293-W327 HydrophobicContact CG-CB 4.29Å; I298-W327 HydrophobicContact CD1-CH2 3.89Å; I298-W327 HydrophobicContact CD1-CZ3 3.83Å; I298-W327 HydrophobicContact CG1-CH2 4.3Å; D323-W327 WeakPolarHBondContact O-CB 3.27Å; D323-W327 PolarHBondContact O-N 2.91Å; F324-W327 AromaticContact CD2-CE3 4Å; F324-W327 HydrophobicContact CD2-CE3 4Å; F324-W327 AromaticContact CE2-CE3 3.66Å; F324-W327 HydrophobicContact CE2-CE3 3.66Å; F324-W327 AromaticContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CZ-CZ3 4.41Å; F324-W327 WeakPolarHBondContact O-CB 3.41Å; F324-W327 PolarHBondContact O-N 3.43Å; F325-W327 VanDerWaalsContact C-N 3.32Å; F325-W327 PolarHBondContact O-N 3.34Å; W327-K329 VanDerWaalsContact C-N 3.32Å; W327-K329 PolarHBondContact O-N 3.3Å; W327-T331 HydrophobicContact CH2-CG2 4.43Å; W327-T331 HydrophobicContact CZ3-CG2 4.19Å
328	S	98.2	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-75.2	-11.8	-179.9	-70.6	0	0	0	0	114.8	F324 F325 A326 D330 T331	F324-S328 PolarHBondContact O-N 3.49Å; F324-S328 PolarHBondContact O-OG 2.99Å; F325-S328 PolarHBondContact O-N 3.21Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 3.46Å; S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 3.45Å; S328-D330 VanDerWaalsContact O-N 3.16Å; S328-T331 PolarHBondContact O-N 3.01Å; S328-T331 PolarHBondContact O-OG1 2.75Å
329	K	98	Very high	97.9	Very high	108 Å²	108	32 Å²	32	47%	0.47	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.7	-169.9	-76.4	179.4	177	175.3	0	115.3	I200 F325 A326 W327	I200-K329 HydrophobicContact CG1-CG 4.21Å; F325-K329 PolarHBondContact O-N 3.25Å; A326-K329 WeakPolarHBondContact O-CB 3.33Å; A326-K329 PolarHBondContact O-N 3.15Å; W327-K329 VanDerWaalsContact C-N 3.32Å; W327-K329 PolarHBondContact O-N 3.3Å
330	D	97.5	Very high	98	Very high	49 Å²	49	28.1 Å²	28.1	26%	0.262	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	32.5	-177.2	57.8	5.1	0	0	0	111.7	H268 H269 K289 S328	H268-D330 CarbonylContact C-O 3.56Å; H268-D330 IonicContact CE1-OD2 3.81Å; H268-D330 PolarHBondContact CE1-OD2 3.47Å; H268-D330 VanDerWaalsContact CE1-OD2 3.27Å; H268-D330 IonicContact CG-OD2 3.32Å; H268-D330 IonicContact ND1-OD1 2.64Å; H268-D330 IonicContact ND1-OD2 2.69Å; H268-D330 PolarHBondContact ND1-OD2 3.28Å; H269-D330 PolarHBondContact N-O 3.29Å; K289-D330 IonicContact NZ-OD1 3.27Å; K289-D330 PolarHBondContact NZ-OD1 3Å; S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 3.45Å; S328-D330 VanDerWaalsContact O-N 3.16Å
331	T	98.3	Very high	98.1	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	13%	0.132	C	C	.	.	S	Bend	trans	-98.8	165.8	168.3	63.9	0	0	0	0	110.8	R264 F265 K289 W327 S328 P334 H337	R264-T331 WeakPolarHBondContact O-CB 3.47Å; F265-T331 HydrophobicContact CB-CG2 4.08Å; K289-T331 HydrophobicContact CD-CG2 3.96Å; W327-T331 HydrophobicContact CH2-CG2 4.43Å; W327-T331 HydrophobicContact CZ3-CG2 4.19Å; S328-T331 PolarHBondContact O-N 3.01Å; S328-T331 PolarHBondContact O-OG1 2.75Å; T331-P334 WeakPolarHBondContact OG1-CB 3.35Å; T331-H337 PolarHBondContact OG1-CE1 3.17Å; T331-H337 PolarHBondContact OG1-NE2 2.97Å
332	Y	98.3	Very high	98.2	Very high	53 Å²	53	26.1 Å²	26.1	21%	0.208	13%	0.131	C	C	.	.	S	Bend	trans	-91.6	127.9	174.1	-170.1	-81.1	0	0	0	111.2	A198 R264 H269 P282	A198-Y332 HydrophobicContact CB-CD1 4.18Å; A198-Y332 HydrophobicContact CB-CD2 4.32Å; A198-Y332 HydrophobicContact CB-CE1 3.73Å; A198-Y332 HydrophobicContact CB-CE2 3.88Å; A198-Y332 HydrophobicContact CB-CG 4.45Å; R264-Y332 HydrophobicContact CG-CD1 4.01Å; R264-Y332 HydrophobicContact CG-CG 4.43Å; R264-Y332 PolarHBondContact O-N 3.38Å; H269-Y332 AromaticContact CD2-CD2 3.87Å; P282-Y332 HydrophobicContact CB-CD2 4Å
333	S	98.1	Very high	98.3	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.028	11%	0.113	C	C	.	.	S	Bend	trans	48.6	60.7	-175	-62.1	0	0	0	0	112.9	A198 D335 E336 H337	A198-S333 VanDerWaalsContact CB-OG 3.31Å; A198-S333 WeakPolarHBondContact CB-OG 3.32Å; A198-S333 WeakPolarHBondContact O-CA 3.22Å; A198-S333 PolarHBondContact O-N 3.45Å; S333-D335 VanDerWaalsContact C-OD1 3.23Å; S333-D335 WeakPolarHBondContact CA-OD1 3.28Å; S333-D335 PolarHBondContact O-N 3.11Å; S333-E336 PolarHBondContact O-N 3.27Å; S333-H337 PolarHBondContact O-ND1 3.41Å
334	P	98.4	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.2	176.7	22.5	-31.9	0	0	0	113.9	I200 L203 T331 E336 H337 F338	I200-P334 HydrophobicContact CB-CG 4.01Å; I200-P334 HydrophobicContact CD1-CB 3.67Å; I200-P334 HydrophobicContact CD1-CG 3.48Å; I200-P334 VanDerWaalsContact CD1-CG 3.48Å; I200-P334 HydrophobicContact CG1-CG 4.34Å; L203-P334 HydrophobicContact CD2-CB 4.25Å; T331-P334 WeakPolarHBondContact OG1-CB 3.35Å; P334-E336 PolarHBondContact O-N 3Å; P334-H337 WeakPolarHBondContact CA-CE1 3.49Å; P334-H337 PolarHBondContact O-N 3.26Å; P334-H337 VanDerWaalsContact O-N 3.15Å; P334-F338 WeakPolarHBondContact O-CB 3.39Å; P334-F338 PolarHBondContact O-N 3.13Å
335	D	98.1	Very high	98.2	Very high	19 Å²	19	19.5 Å²	19.5	10%	0.102	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.1	172.5	55.5	-43.5	0	0	0	113.6	R202 A303 S333	R202-D335 HydrophobicContact CG-CB 4.29Å; A303-D335 HydrophobicContact CB-CB 3.92Å; S333-D335 VanDerWaalsContact C-OD1 3.23Å; S333-D335 WeakPolarHBondContact CA-OD1 3.28Å; S333-D335 PolarHBondContact O-N 3.11Å
336	E	98.3	Very high	98.1	Very high	47 Å²	47	22.4 Å²	22.4	22%	0.22	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-88.3	2.8	177.3	-71.1	-172.8	-148.3	0	0	114.6	K261 R264 V300 G301 S333 P334	K261-E336 IonicContact NZ-OE2 3.81Å; K261-E336 PolarHBondContact NZ-OE2 3.14Å; R264-E336 IonicContact CZ-OE2 3.4Å; R264-E336 IonicContact NH1-OE1 3.58Å; R264-E336 IonicContact NH1-OE2 3.48Å; R264-E336 PolarHBondContact NH1-OE2 3.35Å; V300-E336 CarbonylContact C-O 3.53Å; V300-E336 WeakPolarHBondContact CA-O 3.34Å; G301-E336 PolarHBondContact N-O 2.71Å; G301-E336 WeakPolarHBondContact O-CB 3.45Å; S333-E336 PolarHBondContact O-N 3.27Å; P334-E336 PolarHBondContact O-N 3Å
337	H	98.6	Very high	97.9	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.014	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-22.9	174.4	62.5	-99.3	0	0	0	114.3	I298 F299 V300 T331 S333 P334 T341	I298-H337 HydrophobicContact CG2-CB 4.27Å; F299-H337 WeakPolarHBondContact O-CA 3.31Å; F299-H337 WeakPolarHBondContact O-CB 3.29Å; V300-H337 HydrophobicContact CG1-CB 4.29Å; T331-H337 PolarHBondContact OG1-CE1 3.17Å; T331-H337 PolarHBondContact OG1-NE2 2.97Å; S333-H337 PolarHBondContact O-ND1 3.41Å; P334-H337 WeakPolarHBondContact CA-CE1 3.49Å; P334-H337 PolarHBondContact O-N 3.26Å; P334-H337 VanDerWaalsContact O-N 3.15Å; H337-T341 WeakPolarHBondContact O-CB 3.43Å; H337-T341 PolarHBondContact O-N 3.44Å; H337-T341 PolarHBondContact O-OG1 2.79Å
338	F	98.6	Very high	97.9	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-56.9	-178.4	-175.7	-97.8	0	0	0	111.7	L203 I321 F324 F325 P334 T341 L342	L203-F338 HydrophobicContact CD1-CB 4.34Å; L203-F338 HydrophobicContact CD1-CD1 3.68Å; L203-F338 HydrophobicContact CD1-CE1 4.24Å; L203-F338 HydrophobicContact CD1-CG 4.18Å; L203-F338 HydrophobicContact CD2-CB 3.67Å; L203-F338 HydrophobicContact CD2-CD1 3.71Å; L203-F338 HydrophobicContact CD2-CD2 3.81Å; L203-F338 HydrophobicContact CD2-CE1 4.24Å; L203-F338 HydrophobicContact CD2-CE2 4.36Å; L203-F338 HydrophobicContact CD2-CG 3.45Å; L203-F338 VanDerWaalsContact CD2-CG 3.45Å; L203-F338 HydrophobicContact CG-CD1 4.31Å; L203-F338 HydrophobicContact CG-CG 4.47Å; I321-F338 HydrophobicContact CG2-CZ 4.36Å; F324-F338 AromaticContact CD1-CD2 3.66Å; F324-F338 HydrophobicContact CD1-CD2 3.66Å; F324-F338 AromaticContact CD1-CE2 3.64Å; F324-F338 HydrophobicContact CD1-CE2 3.64Å; F324-F338 AromaticContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CE2 4.05Å; F324-F338 HydrophobicContact CE1-CG 4.32Å; F325-F338 HydrophobicContact CB-CE2 3.77Å; F325-F338 HydrophobicContact CB-CZ 4.07Å; F325-F338 AromaticContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CZ 4.09Å; F325-F338 HydrophobicContact CG-CE2 4.38Å; P334-F338 WeakPolarHBondContact O-CB 3.39Å; P334-F338 PolarHBondContact O-N 3.13Å; F338-T341 PolarHBondContact O-N 3.03Å; F338-L342 HydrophobicContact CD1-CD1 4.03Å; F338-L342 HydrophobicContact CD1-CG 4.41Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.21Å; F338-L342 HydrophobicContact CE2-CD1 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.5Å; F338-L342 HydrophobicContact CZ-CD1 3.54Å; F338-L342 HydrophobicContact CZ-CG 4.27Å; F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.04Å
339	W	98.6	Very high	97.9	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-45.9	-179.4	-54.7	119.8	0	0	0	112.6	L203 D206 L207 L210 L252 F305 L307 I315 T341 L342 I343	L203-W339 HydrophobicContact CD1-CD2 4.38Å; L203-W339 HydrophobicContact CD1-CH2 4.12Å; L203-W339 HydrophobicContact CD1-CZ2 3.26Å; D206-W339 HydrophobicContact CB-CZ2 4.25Å; L207-W339 HydrophobicContact CD2-CH2 3.74Å; L207-W339 HydrophobicContact CG-CH2 4.3Å; L210-W339 HydrophobicContact CD1-CH2 3.67Å; L210-W339 HydrophobicContact CD1-CZ2 4.34Å; L210-W339 HydrophobicContact CD1-CZ3 4.38Å; L252-W339 HydrophobicContact CD1-CB 4.23Å; F305-W339 AromaticContact CD1-CD1 3.74Å; F305-W339 AromaticContact CD1-CD2 3.83Å; F305-W339 HydrophobicContact CD1-CD2 3.83Å; F305-W339 AromaticContact CD1-CE2 3.7Å; F305-W339 AromaticContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CZ2 4.31Å; F305-W339 AromaticContact CD1-NE1 3.62Å; F305-W339 AromaticContact CE1-CD2 3.93Å; F305-W339 HydrophobicContact CE1-CD2 3.93Å; F305-W339 AromaticContact CE1-CE2 3.36Å; F305-W339 HydrophobicContact CE1-CG 4.34Å; F305-W339 HydrophobicContact CE1-CH2 4.28Å; F305-W339 AromaticContact CE1-CZ2 3.55Å; F305-W339 HydrophobicContact CE1-CZ2 3.55Å; F305-W339 AromaticContact CE1-NE1 3.46Å; F305-W339 HydrophobicContact CZ-CZ2 4.13Å; L307-W339 HydrophobicContact CD1-CE3 4.11Å; L307-W339 HydrophobicContact CD1-CZ3 4.09Å; I315-W339 HydrophobicContact CD1-CH2 4.32Å; I315-W339 HydrophobicContact CD1-CZ3 3.96Å; W339-T341 PolarHBondContact O-N 2.88Å; W339-L342 PolarHBondContact O-N 2.9Å; W339-I343 PolarHBondContact O-N 3.22Å; W339-I343 VanDerWaalsContact O-N 3.15Å
340	A	98.6	Very high	97.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-34.4	178.1	0	0	0	0	0	112.7	L252 E253 T254 F299 I343 R344	L252-A340 HydrophobicContact CD1-CB 4.38Å; E253-A340 WeakPolarHBondContact O-CB 3.45Å; T254-A340 PolarHBondContact OG1-O 3.1Å; F299-A340 HydrophobicContact CB-CB 4.28Å; F299-A340 WeakPolarHBondContact CB-O 3.37Å; A340-I343 WeakPolarHBondContact O-CG2 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.46Å
341	T	98.6	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-76.3	-47.2	175.4	-63.7	0	0	0	0	111.3	I296 Q297 I298 F299 F324 H337 F338 W339 I343 R344	I296-T341 HydrophobicContact CG2-CG2 3.25Å; Q297-T341 WeakPolarHBondContact O-CG2 3.21Å; I298-T341 HydrophobicContact CD1-CG2 4.24Å; F299-T341 PolarHBondContact N-OG1 3.3Å; F299-T341 PolarHBondContact O-OG1 3.38Å; F324-T341 HydrophobicContact CE1-CG2 3.8Å; F324-T341 HydrophobicContact CE2-CG2 4.16Å; F324-T341 HydrophobicContact CZ-CG2 3.48Å; F324-T341 VanDerWaalsContact CZ-CG2 3.48Å; H337-T341 WeakPolarHBondContact O-CB 3.43Å; H337-T341 PolarHBondContact O-N 3.44Å; H337-T341 PolarHBondContact O-OG1 2.79Å; F338-T341 PolarHBondContact O-N 3.03Å; W339-T341 PolarHBondContact O-N 2.88Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.22Å; T341-R344 PolarHBondContact O-N 3.47Å
342	L	98.2	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-41.1	-174.9	-74	-163.5	0	0	0	112.9	F311 I315 I321 F324 F338 W339 R344 V345 I348	F311-L342 HydrophobicContact CZ-CB 3.92Å; I315-L342 HydrophobicContact CG2-CD1 3.93Å; I321-L342 HydrophobicContact CD1-CD1 4.32Å; I321-L342 HydrophobicContact CD1-CD2 3.5Å; I321-L342 HydrophobicContact CD1-CG 4.45Å; I321-L342 HydrophobicContact CG2-CD1 3.67Å; I321-L342 HydrophobicContact CG2-CD2 4.22Å; F324-L342 HydrophobicContact CD1-CD2 3.5Å; F324-L342 VanDerWaalsContact CD1-CD2 3.5Å; F324-L342 HydrophobicContact CD1-CG 4.26Å; F324-L342 HydrophobicContact CE1-CD2 3.94Å; F324-L342 HydrophobicContact CE1-CG 4.38Å; F324-L342 HydrophobicContact CG-CD2 4.43Å; F338-L342 HydrophobicContact CD1-CD1 4.03Å; F338-L342 HydrophobicContact CD1-CG 4.41Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.21Å; F338-L342 HydrophobicContact CE2-CD1 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.5Å; F338-L342 HydrophobicContact CZ-CD1 3.54Å; F338-L342 HydrophobicContact CZ-CG 4.27Å; F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.04Å; W339-L342 PolarHBondContact O-N 2.9Å; L342-R344 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact O-N 3.09Å; L342-V345 HydrophobicContact CD2-CG2 4.31Å; L342-V345 WeakPolarHBondContact O-CB 3.38Å; L342-V345 PolarHBondContact O-N 3.43Å; L342-I348 HydrophobicContact CB-CD1 4.43Å; L342-I348 WeakPolarHBondContact O-CG2 3.47Å
343	I	98	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	177.8	-162.3	174.2	0	0	0	113	N250 L252 T254 W339 A340 T341 E351 I352	N250-I343 HydrophobicContact CB-CD1 3.64Å; N250-I343 HydrophobicContact CB-CG1 4.35Å; L252-I343 HydrophobicContact CD1-CB 4.45Å; L252-I343 HydrophobicContact CD1-CD1 4.48Å; L252-I343 HydrophobicContact CD1-CG2 3.87Å; L252-I343 HydrophobicContact CD2-CB 4.35Å; L252-I343 HydrophobicContact CD2-CD1 3.77Å; L252-I343 HydrophobicContact CG-CD1 3.88Å; L252-I343 HydrophobicContact CG-CG2 4.39Å; T254-I343 HydrophobicContact CG2-CG2 3.84Å; W339-I343 PolarHBondContact O-N 3.22Å; W339-I343 VanDerWaalsContact O-N 3.15Å; A340-I343 WeakPolarHBondContact O-CG2 3.28Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.22Å; I343-E351 WeakPolarHBondContact O-CA 3.5Å; I343-I352 HydrophobicContact CD1-CD1 3.55Å; I343-I352 HydrophobicContact CD1-CG1 3.79Å; I343-I352 HydrophobicContact CG1-CD1 4.19Å; I343-I352 HydrophobicContact CG1-CG1 3.98Å; I343-I352 PolarHBondContact O-N 2.93Å
344	R	98.1	Very high	97.5	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.011	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5	177.7	-54.7	-66.6	-168.5	154.1	-3.2	113.2	T254 F299 A340 T341 L342 P346 I352 S353 R354 A356 Q357	T254-R344 PolarHBondContact O-NH2 3.47Å; T254-R344 WeakPolarHBondContact OG1-CG 3.47Å; T254-R344 PolarHBondContact OG1-NE 3.17Å; F299-R344 HydrophobicContact CB-CG 4.44Å; F299-R344 HydrophobicContact CD1-CG 4.07Å; F299-R344 HydrophobicContact CD2-CB 3.74Å; F299-R344 HydrophobicContact CD2-CG 3.66Å; F299-R344 HydrophobicContact CE1-CG 4.22Å; F299-R344 HydrophobicContact CE2-CB 3.69Å; F299-R344 HydrophobicContact CE2-CG 3.82Å; F299-R344 HydrophobicContact CG-CB 4.4Å; F299-R344 HydrophobicContact CG-CG 3.8Å; F299-R344 HydrophobicContact CZ-CB 4.3Å; F299-R344 HydrophobicContact CZ-CG 4.11Å; A340-R344 WeakPolarHBondContact O-CG 3.46Å; T341-R344 PolarHBondContact O-N 3.47Å; L342-R344 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact O-N 3.09Å; R344-P346 WeakPolarHBondContact O-CD 3.48Å; R344-I352 WeakPolarHBondContact CA-O 3.38Å; R344-I352 WeakPolarHBondContact CD-O 3.33Å; R344-S353 PolarHBondContact NH1-O 3.15Å; R344-R354 HydrophobicContact CB-CG 4.34Å; R344-R354 WeakPolarHBondContact O-CG 3.41Å; R344-R354 PolarHBondContact O-NE 2.8Å; R344-A356 PolarHBondContact NH1-O 3.22Å; R344-Q357 PolarHBondContact NH1-O 3.35Å; R344-Q357 PolarHBondContact NH2-O 3.46Å
345	V	97.1	Very high	97.3	Very high	13 Å²	13	31 Å²	31	8%	0.079	19%	0.194	C	C	.	.	S	Bend	trans	-78.6	122.8	175.8	175.4	0	0	0	0	109.6	I296 L342 G347 I348	I296-V345 HydrophobicContact CG1-CG2 4.42Å; L342-V345 HydrophobicContact CD2-CG2 4.31Å; L342-V345 WeakPolarHBondContact O-CB 3.38Å; L342-V345 PolarHBondContact O-N 3.43Å; V345-G347 PolarHBondContact O-N 2.99Å; V345-I348 WeakPolarHBondContact O-CB 3.32Å; V345-I348 VanDerWaalsContact O-CG2 3.23Å; V345-I348 WeakPolarHBondContact O-CG2 3.48Å; V345-I348 PolarHBondContact O-N 3.01Å
346	P	95.8	Very high	97.2	Very high	81 Å²	81	31.9 Å²	31.9	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.6	-179.1	-25.9	35.2	0	0	0	112.5	R344 E351	R344-P346 WeakPolarHBondContact O-CD 3.48Å; P346-E351 VanDerWaalsContact CA-OE2 3.29Å; P346-E351 WeakPolarHBondContact CA-OE2 3.23Å
347	G	94.4	Very high	97.2	Very high	56 Å²	56	37.3 Å²	37.3	58%	0.577	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-0	-179.9	0	0	0	0	0	115	V345 E351	V345-G347 PolarHBondContact O-N 2.99Å; G347-E351 PolarHBondContact N-OE2 3.31Å
348	I	97.2	Very high	97.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	24%	0.242	C	C	.	.			trans	-74.2	142.2	176.2	-158	157.9	0	0	0	110.8	F311 Y314 I315 I321 L342 V345 G350 E351	F311-I348 HydrophobicContact CD2-CD1 3.85Å; F311-I348 HydrophobicContact CD2-CG1 3.71Å; F311-I348 HydrophobicContact CD2-CG2 4.43Å; F311-I348 HydrophobicContact CE2-CD1 3.32Å; F311-I348 HydrophobicContact CE2-CG1 3.66Å; F311-I348 HydrophobicContact CE2-CG2 4.14Å; F311-I348 HydrophobicContact CZ-CD1 3.81Å; Y314-I348 HydrophobicContact CD1-CD1 3.89Å; Y314-I348 HydrophobicContact CD1-CG1 3.6Å; Y314-I348 HydrophobicContact CE1-CB 4.31Å; Y314-I348 HydrophobicContact CE1-CD1 4.1Å; Y314-I348 HydrophobicContact CE1-CG1 3.8Å; Y314-I348 HydrophobicContact CG-CG1 4.34Å; I315-I348 HydrophobicContact CG2-CD1 4.21Å; I321-I348 HydrophobicContact CD1-CD1 4.17Å; L342-I348 HydrophobicContact CB-CD1 4.43Å; L342-I348 WeakPolarHBondContact O-CG2 3.47Å; V345-I348 WeakPolarHBondContact O-CB 3.32Å; V345-I348 VanDerWaalsContact O-CG2 3.23Å; V345-I348 WeakPolarHBondContact O-CG2 3.48Å; V345-I348 PolarHBondContact O-N 3.01Å; I348-G350 PolarHBondContact O-N 3.14Å; I348-E351 HydrophobicContact CG2-CB 3.71Å; I348-E351 WeakPolarHBondContact O-CB 3.44Å; I348-E351 PolarHBondContact O-N 3Å; I348-E351 VanDerWaalsContact O-N 3.1Å
349	P	98.3	Very high	97.1	Very high	38 Å²	38	40.7 Å²	40.7	25%	0.247	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	124.9	179.7	-27.5	36.4	0	0	0	113	N250 A310 F311 Y314	N250-P349 PolarHBondContact ND2-O 2.96Å; A310-P349 HydrophobicContact CB-CB 3.86Å; A310-P349 HydrophobicContact CB-CG 4.4Å; F311-P349 WeakPolarHBondContact CD2-O 3.42Å; Y314-P349 HydrophobicContact CD2-CG 4.07Å; Y314-P349 HydrophobicContact CG-CG 4.1Å
350	G	97.3	Very high	97	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	32.1	-177.1	0	0	0	0	0	113.3	G248 N250 I348	G248-G350 WeakPolarHBondContact O-CA 3.37Å; N250-G350 WeakPolarHBondContact ND2-CA 3.48Å; N250-G350 PolarHBondContact ND2-O 2.96Å; I348-G350 PolarHBondContact O-N 3.14Å
351	E	96.1	Very high	96.9	Very high	91 Å²	91	44.3 Å²	44.3	43%	0.425	27%	0.271	S	S	.	.			trans	-55.7	151.8	176.8	71.3	176.8	-157.8	0	0	113	I343 P346 G347 I348	I343-E351 WeakPolarHBondContact O-CA 3.5Å; P346-E351 VanDerWaalsContact CA-OE2 3.29Å; P346-E351 WeakPolarHBondContact CA-OE2 3.23Å; G347-E351 PolarHBondContact N-OE2 3.31Å; I348-E351 HydrophobicContact CG2-CB 3.71Å; I348-E351 WeakPolarHBondContact O-CB 3.44Å; I348-E351 PolarHBondContact O-N 3Å; I348-E351 VanDerWaalsContact O-N 3.1Å
352	I	97	Very high	96.7	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.195	29%	0.287	C	S	.	.			trans	-111	122.9	159.9	-53.2	175.3	0	0	0	106.1	T254 I343 R344 A356 V359	T254-I352 HydrophobicContact CG2-CD1 4.02Å; I343-I352 HydrophobicContact CD1-CD1 3.55Å; I343-I352 HydrophobicContact CD1-CG1 3.79Å; I343-I352 HydrophobicContact CG1-CD1 4.19Å; I343-I352 HydrophobicContact CG1-CG1 3.98Å; I343-I352 PolarHBondContact O-N 2.93Å; R344-I352 WeakPolarHBondContact CA-O 3.38Å; R344-I352 WeakPolarHBondContact CD-O 3.33Å; I352-A356 HydrophobicContact CG2-CB 3.98Å; I352-V359 HydrophobicContact CD1-CG2 4.19Å
353	S	96.2	Very high	96.7	Very high	53 Å²	53	52 Å²	52	37%	0.371	31%	0.309	S	S	.	.			trans	-53	144.2	-177.5	172.1	0	0	0	0	112.2	R344 S355 A356	R344-S353 PolarHBondContact NH1-O 3.15Å; S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 PolarHBondContact OG-N 3.25Å; S353-S355 PolarHBondContact OG-OG 3.26Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 3.11Å
354	R	95.1	Very high	96.6	Very high	65 Å²	65	52 Å²	52	25%	0.245	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.2	173.7	-63.2	-177.2	-178.1	-176.3	1.1	113.1	N295 F299 R344	N295-R354 PolarHBondContact O-NH1 2.92Å; F299-R354 HydrophobicContact CZ-CB 4.47Å; R344-R354 HydrophobicContact CB-CG 4.34Å; R344-R354 WeakPolarHBondContact O-CG 3.41Å; R344-R354 PolarHBondContact O-NE 2.8Å
355	S	95.1	Very high	96.5	Very high	110 Å²	110	55.5 Å²	55.5	77%	0.769	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.9	179.4	59.4	0	0	0	0	113.6	S353	S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 PolarHBondContact OG-N 3.25Å; S353-S355 PolarHBondContact OG-OG 3.26Å
356	A	96.4	Very high	96.5	Very high	39 Å²	39	55.1 Å²	55.1	32%	0.322	32%	0.321	S	S	.	.	S	Bend	trans	-67.5	159.8	175.6	0	0	0	0	0	110.7	R344 I352 S353	R344-A356 PolarHBondContact NH1-O 3.22Å; I352-A356 HydrophobicContact CG2-CB 3.98Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 3.11Å
357	Q	97	Very high	96.6	Very high	161 Å²	161	51.6 Å²	51.6	75%	0.752	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56.2	148.1	177	-166.9	171.3	6.6	0	0	111.2	R344	R344-Q357 PolarHBondContact NH1-O 3.35Å; R344-Q357 PolarHBondContact NH2-O 3.46Å
358	D	97.7	Very high	96.8	Very high	51 Å²	51	49 Å²	49	27%	0.273	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-60.1	142.4	171.5	-76.3	3.2	0	0	0	109.8	V255 K256 Q363	V255-D358 HydrophobicContact CB-CB 3.99Å; V255-D358 HydrophobicContact CG1-CB 3.94Å; K256-D358 PolarHBondContact N-OD1 2.72Å; K256-D358 PolarHBondContact N-OD2 2.86Å; D358-Q363 PolarHBondContact O-OE1 2.86Å
359	V	98.2	Very high	96.9	Very high	25 Å²	25	49.8 Å²	49.8	15%	0.152	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-106.8	104.3	174.6	-178.4	0	0	0	0	106.9	E253 T254 V255 I352 Q363	E253-V359 WeakPolarHBondContact CA-O 3.1Å; T254-V359 HydrophobicContact CG2-CB 4.11Å; T254-V359 HydrophobicContact CG2-CG2 4.28Å; T254-V359 PolarHBondContact N-O 3.24Å; T254-V359 PolarHBondContact O-N 3.37Å; V255-V359 VanDerWaalsContact CG1-O 3.28Å; V255-V359 WeakPolarHBondContact CG1-O 3.49Å; I352-V359 HydrophobicContact CD1-CG2 4.19Å; V359-Q363 HydrophobicContact CG1-CB 4.02Å
360	S	97.4	Very high	96.9	Very high	35 Å²	35	48 Å²	48	25%	0.245	26%	0.264	C	S	.	.			trans	-71.8	170.5	178	76.7	0	0	0	0	111.9	L362 Q363 S364	S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact OG-N 2.99Å; S360-Q363 PolarHBondContact O-N 3.2Å; S360-Q363 VanDerWaalsContact O-N 3.15Å; S360-Q363 PolarHBondContact OG-N 2.8Å; S360-S364 WeakPolarHBondContact O-CB 3.36Å; S360-S364 PolarHBondContact O-N 2.97Å
361	D	95.4	Very high	96.9	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.23	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-46.4	171.3	61.8	-21.4	0	0	0	112.3	Q363 S364 H406	D361-Q363 VanDerWaalsContact C-N 3.27Å; D361-Q363 PolarHBondContact O-N 3.02Å; D361-S364 CarbonylContact O-C 3.54Å; D361-S364 PolarHBondContact O-N 2.71Å; D361-H406 PolarHBondContact O-NE2 2.88Å
362	L	95.3	Very high	96.9	Very high	64 Å²	64	49.7 Å²	49.7	34%	0.335	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.2	177.7	-63.1	174.9	0	0	0	114.6	S360 F378 Y379	S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact OG-N 2.99Å; L362-F378 HydrophobicContact CD1-CB 3.88Å; L362-F378 HydrophobicContact CD1-CD1 4.29Å; L362-F378 HydrophobicContact CD1-CD2 4.48Å; L362-F378 HydrophobicContact CD1-CG 3.99Å; L362-Y379 HydrophobicContact CD2-CD1 4.17Å; L362-Y379 HydrophobicContact CD2-CE1 4.36Å
363	Q	96.8	Very high	96.9	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-30.7	175	-67.3	173.5	-44.4	0	0	111.1	D358 V359 S360 D361 K365	D358-Q363 PolarHBondContact O-OE1 2.86Å; V359-Q363 HydrophobicContact CG1-CB 4.02Å; S360-Q363 PolarHBondContact O-N 3.2Å; S360-Q363 VanDerWaalsContact O-N 3.15Å; S360-Q363 PolarHBondContact OG-N 2.8Å; D361-Q363 VanDerWaalsContact C-N 3.27Å; D361-Q363 PolarHBondContact O-N 3.02Å; Q363-K365 PolarHBondContact O-N 2.84Å
364	S	96	Very high	97	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.			trans	-74	103.7	174.1	175.1	0	0	0	0	110.3	L252 E253 S360 D361 T366 H406	L252-S364 WeakPolarHBondContact CA-OG 3.38Å; E253-S364 PolarHBondContact N-OG 3.16Å; S360-S364 WeakPolarHBondContact O-CB 3.36Å; S360-S364 PolarHBondContact O-N 2.97Å; D361-S364 CarbonylContact O-C 3.54Å; D361-S364 PolarHBondContact O-N 2.71Å; S364-T366 PolarHBondContact O-N 3.19Å; S364-T366 WeakPolarHBondContact OG-CG2 3.5Å; S364-T366 PolarHBondContact OG-OG1 3.37Å; S364-H406 PolarHBondContact O-CD2 3Å; S364-H406 PolarHBondContact O-NE2 2.9Å
365	K	97.3	Very high	97	Very high	76 Å²	76	54.4 Å²	54.4	33%	0.33	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-4.3	178.4	-65.6	-176.4	169.7	-179.2	0	115	E242 M251 Q363 W407	E242-K365 IonicContact OE2-NZ 3.72Å; E242-K365 PolarHBondContact OE2-NZ 3.03Å; M251-K365 HydrophobicContact CG-CB 4.49Å; Q363-K365 PolarHBondContact O-N 2.84Å; K365-W407 HydrophobicContact CB-CD2 3.84Å; K365-W407 HydrophobicContact CB-CE3 4.25Å; K365-W407 HydrophobicContact CB-CG 4.28Å; K365-W407 HydrophobicContact CB-CH2 4.21Å; K365-W407 HydrophobicContact CB-CZ2 3.82Å; K365-W407 HydrophobicContact CB-CZ3 4.41Å; K365-W407 HydrophobicContact CD-CZ2 3.89Å; K365-W407 HydrophobicContact CG-CZ2 4.49Å; K365-W407 PolarHBondContact O-N 3.16Å
366	T	97.4	Very high	97.1	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.031	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-46.9	-174.8	58.3	0	0	0	0	113.4	M251 V306 S364	M251-T366 HydrophobicContact CB-CG2 4.25Å; M251-T366 HydrophobicContact CG-CG2 3.84Å; M251-T366 WeakPolarHBondContact O-CG2 3.32Å; V306-T366 HydrophobicContact CB-CG2 4.4Å; V306-T366 HydrophobicContact CG2-CG2 4.12Å; S364-T366 PolarHBondContact O-N 3.19Å; S364-T366 WeakPolarHBondContact OG-CG2 3.5Å; S364-T366 PolarHBondContact OG-OG1 3.37Å
367	R	98.1	Very high	97	Very high	8 Å²	8	58.5 Å²	58.5	3%	0.03	29%	0.29	C	S	.	.			trans	-150.8	118.7	-173.5	-162.2	76.8	67.7	-160.2	-15.2	112.1	N225 D230 Y304 V369 F408 N410	N225-R367 PolarHBondContact O-NH2 2.73Å; D230-R367 VanDerWaalsContact CB-NH1 3.31Å; D230-R367 WeakPolarHBondContact OD1-CD 3.4Å; D230-R367 IonicContact OD1-CZ 3.24Å; D230-R367 IonicContact OD1-NE 3.47Å; D230-R367 PolarHBondContact OD1-NE 2.87Å; D230-R367 IonicContact OD1-NH1 2.7Å; D230-R367 PolarHBondContact OD1-NH1 3.47Å; D230-R367 IonicContact OD2-CZ 2.83Å; D230-R367 IonicContact OD2-NE 3.66Å; D230-R367 IonicContact OD2-NH1 3.41Å; D230-R367 PolarHBondContact OD2-NH1 2.88Å; D230-R367 IonicContact OD2-NH2 2.7Å; D230-R367 PolarHBondContact OD2-NH2 3.19Å; Y304-R367 HydrophobicContact CD2-CB 3.89Å; Y304-R367 HydrophobicContact CD2-CG 3.85Å; Y304-R367 HydrophobicContact CE2-CG 4.09Å; Y304-R367 HydrophobicContact CG-CB 4.25Å; Y304-R367 HydrophobicContact CG-CG 4.39Å; R367-V369 HydrophobicContact CB-CG2 4.31Å; R367-V369 HydrophobicContact CG-CG2 3.64Å; R367-F408 CarbonylContact C-O 3.44Å; R367-F408 WeakPolarHBondContact CA-O 3.22Å; R367-N410 HydrophobicContact CG-CB 3.87Å
368	L	98.2	Very high	96.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.7	164.6	-175.7	57.1	0	0	0	109.5	L233 Y393 W400 L401 D404 H406 F408 A409 N410	L233-L368 HydrophobicContact CD1-CB 4.29Å; L233-L368 HydrophobicContact CD1-CD2 4.19Å; L368-Y393 PolarHBondContact O-OH 3.42Å; L368-Y393 VanDerWaalsContact O-OH 3.12Å; L368-W400 HydrophobicContact CD1-CH2 4Å; L368-W400 HydrophobicContact CD2-CH2 3.7Å; L368-W400 HydrophobicContact CD2-CZ3 3.7Å; L368-W400 HydrophobicContact CG-CH2 4.19Å; L368-W400 HydrophobicContact CG-CZ3 4.46Å; L368-L401 HydrophobicContact CD2-CD2 3.8Å; L368-D404 HydrophobicContact CD2-CB 4.07Å; L368-D404 WeakPolarHBondContact CD2-OD2 3.41Å; L368-H406 HydrophobicContact CB-CB 3.77Å; L368-F408 PolarHBondContact N-O 3.12Å; L368-A409 HydrophobicContact CB-CB 4.21Å; L368-A409 CarbonylContact O-C 3.58Å; L368-A409 VanDerWaalsContact O-CA 3.31Å; L368-A409 WeakPolarHBondContact O-CA 3.36Å; L368-N410 PolarHBondContact O-N 2.92Å
369	V	98.1	Very high	96.8	Very high	20 Å²	20	55 Å²	55	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126	175.4	-172.1	0	0	0	0	108.5	R367 V390 N410	R367-V369 HydrophobicContact CB-CG2 4.31Å; R367-V369 HydrophobicContact CG-CG2 3.64Å; V369-V390 HydrophobicContact CG1-CG1 3.71Å; V369-V390 HydrophobicContact CG1-CG2 4.35Å; V369-N410 HydrophobicContact CG2-CB 4.05Å
370	K	97.9	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.			trans	-97.1	117	172.8	-68	176.3	67.5	172.2	0	110.9	Y379 P380 G381 V390 C391 Y393 E397 W400	K370-Y379 HydrophobicContact CB-CD2 4.1Å; K370-Y379 HydrophobicContact CB-CE2 3.76Å; K370-Y379 HydrophobicContact CD-CD2 4.04Å; K370-Y379 HydrophobicContact CD-CG 4.31Å; K370-Y379 VanDerWaalsContact CE-CD2 3.48Å; K370-Y379 HydrophobicContact CG-CD1 4.15Å; K370-Y379 HydrophobicContact CG-CD2 3.65Å; K370-Y379 HydrophobicContact CG-CE1 4.29Å; K370-Y379 HydrophobicContact CG-CE2 3.81Å; K370-Y379 HydrophobicContact CG-CG 3.83Å; K370-P380 WeakPolarHBondContact CE-O 3.08Å; K370-P380 PolarHBondContact NZ-O 2.75Å; K370-G381 PolarHBondContact NZ-O 2.04Å; K370-V390 CarbonylContact O-C 3.57Å; K370-V390 WeakPolarHBondContact O-CA 3.45Å; K370-C391 HydrophobicContact CB-CB 3.67Å; K370-C391 PolarHBondContact O-N 2.83Å; K370-Y393 HydrophobicContact CB-CE1 4.47Å; K370-Y393 HydrophobicContact CD-CD1 4.3Å; K370-Y393 HydrophobicContact CD-CE1 3.52Å; K370-Y393 HydrophobicContact CG-CE1 3.93Å; K370-Y393 PolarHBondContact N-OH 3.18Å; K370-E397 IonicContact NZ-OE1 3.57Å; K370-E397 PolarHBondContact NZ-OE1 3.02Å; K370-W400 HydrophobicContact CD-CH2 3.9Å; K370-W400 HydrophobicContact CD-CZ3 3.78Å; K370-W400 HydrophobicContact CG-CH2 4.19Å; K370-W400 HydrophobicContact CG-CZ3 4.42Å
371	W	97.7	Very high	96.7	Very high	83 Å²	83	57.1 Å²	57.1	31%	0.314	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-88.6	128.3	166.2	-58.3	93.1	0	0	0	110.9	Y373 Y374 E375 Y379 S389 V390	W371-Y373 HydrophobicContact CB-CD1 4.44Å; W371-Y373 HydrophobicContact CB-CD2 4.17Å; W371-Y373 HydrophobicContact CB-CE1 3.99Å; W371-Y373 HydrophobicContact CB-CE2 3.7Å; W371-Y373 HydrophobicContact CD2-CE1 4.39Å; W371-Y373 AromaticContact CD2-CZ 3.88Å; W371-Y373 VanDerWaalsContact CD2-OH 3.25Å; W371-Y373 AromaticContact CE3-CE1 3.83Å; W371-Y373 HydrophobicContact CE3-CE1 3.83Å; W371-Y373 AromaticContact CE3-CZ 3.71Å; W371-Y373 HydrophobicContact CG-CE2 4.2Å; W371-Y373 AromaticContact CG-CZ 3.87Å; W371-Y373 PolarHBondContact O-N 3.38Å; W371-Y373 VanDerWaalsContact O-N 3.16Å; W371-Y374 HydrophobicContact CB-CD2 4.08Å; W371-Y374 PolarHBondContact O-N 3.02Å; W371-E375 PolarHBondContact O-N 2.75Å; W371-Y379 WeakPolarHBondContact CA-OH 3.32Å; W371-Y379 WeakPolarHBondContact CB-OH 3.38Å; W371-Y379 PolarHBondContact N-OH 2.99Å; W371-Y379 WeakPolarHBondContact O-CE2 3.32Å; W371-Y379 PolarHBondContact O-OH 2.63Å; W371-S389 CarbonylContact C-O 3.5Å; W371-S389 WeakPolarHBondContact CA-O 3.45Å; W371-V390 HydrophobicContact CD2-CG2 4.49Å; W371-V390 HydrophobicContact CE3-CG2 3.97Å; W371-V390 HydrophobicContact CH2-CG2 4.04Å; W371-V390 HydrophobicContact CZ3-CG2 3.73Å
372	N	97.5	Very high	96.8	Very high	68 Å²	68	56.2 Å²	56.2	36%	0.364	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.3	-174.2	71.6	-23	0	0	0	113.9	Y374 E375 H386 S389	N372-Y374 PolarHBondContact O-N 2.82Å; N372-E375 WeakPolarHBondContact CA-OE1 3.43Å; N372-E375 PolarHBondContact O-N 3.4Å; N372-H386 VanDerWaalsContact CB-CD2 3.5Å; N372-H386 WeakPolarHBondContact CB-CD2 3.34Å; N372-S389 PolarHBondContact N-O 3.16Å; N372-S389 WeakPolarHBondContact OD1-CB 3.46Å
373	Y	96.7	Very high	96.9	Very high	119 Å²	119	55.4 Å²	55.4	47%	0.467	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-75.3	-5.1	-179.5	48.2	-103.4	0	0	0	114.4	W371	W371-Y373 HydrophobicContact CB-CD1 4.44Å; W371-Y373 HydrophobicContact CB-CD2 4.17Å; W371-Y373 HydrophobicContact CB-CE1 3.99Å; W371-Y373 HydrophobicContact CB-CE2 3.7Å; W371-Y373 HydrophobicContact CD2-CE1 4.39Å; W371-Y373 AromaticContact CD2-CZ 3.88Å; W371-Y373 VanDerWaalsContact CD2-OH 3.25Å; W371-Y373 AromaticContact CE3-CE1 3.83Å; W371-Y373 HydrophobicContact CE3-CE1 3.83Å; W371-Y373 AromaticContact CE3-CZ 3.71Å; W371-Y373 HydrophobicContact CG-CE2 4.2Å; W371-Y373 AromaticContact CG-CZ 3.87Å; W371-Y373 PolarHBondContact O-N 3.38Å; W371-Y373 VanDerWaalsContact O-N 3.16Å
374	Y	97.2	Very high	96.9	Very high	101 Å²	101	51.4 Å²	51.4	40%	0.396	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-116.2	0.1	174.8	-68.1	-38	0	0	0	113.3	W371 N372 F377 F378 Y379	W371-Y374 HydrophobicContact CB-CD2 4.08Å; W371-Y374 PolarHBondContact O-N 3.02Å; N372-Y374 PolarHBondContact O-N 2.82Å; Y374-F377 PolarHBondContact O-N 3.19Å; Y374-F377 VanDerWaalsContact O-N 3.12Å; Y374-F378 HydrophobicContact CD1-CD2 4.01Å; Y374-F378 AromaticContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD2-CD2 4.11Å; Y374-F378 HydrophobicContact CD2-CE2 4.23Å; Y374-F378 HydrophobicContact CE1-CE2 4.04Å; Y374-F378 HydrophobicContact CE2-CE2 4.48Å; Y374-F378 AromaticContact CG-CD2 3.71Å; Y374-F378 HydrophobicContact CG-CD2 3.71Å; Y374-F378 AromaticContact CG-CE2 3.85Å; Y374-F378 HydrophobicContact CG-CE2 3.85Å; Y374-F378 PolarHBondContact O-N 3.4Å; Y374-F378 VanDerWaalsContact O-N 3.16Å; Y374-Y379 VanDerWaalsContact CB-OH 3.29Å; Y374-Y379 WeakPolarHBondContact CB-OH 3.36Å
375	E	96.5	Very high	96.9	Very high	36 Å²	36	53.5 Å²	53.5	17%	0.168	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-63.8	136.8	174.1	-68.2	178.6	-162	0	0	110.7	W371 N372 F377 Y379 C382 H386	W371-E375 PolarHBondContact O-N 2.75Å; N372-E375 WeakPolarHBondContact CA-OE1 3.43Å; N372-E375 PolarHBondContact O-N 3.4Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.5Å; E375-Y379 HydrophobicContact CB-CE2 4.38Å; E375-Y379 HydrophobicContact CG-CD2 3.94Å; E375-Y379 HydrophobicContact CG-CE2 3.64Å; E375-C382 WeakPolarHBondContact OE1-CB 3.39Å; E375-C382 WeakPolarHBondContact OE2-CB 3.43Å; E375-C382 PolarHBondContact OE2-N 2.8Å; E375-H386 IonicContact OE1-CD2 2.69Å; E375-H386 IonicContact OE1-CE1 3.43Å; E375-H386 IonicContact OE1-NE2 2.73Å; E375-H386 PolarHBondContact OE1-NE2 2.95Å; E375-H386 IonicContact OE2-CE1 3.57Å; E375-H386 IonicContact OE2-NE2 3.4Å; E375-H386 PolarHBondContact OE2-NE2 2.68Å
376	G	95.4	Very high	97	Very high	67 Å²	67	53.9 Å²	53.9	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-12.4	-172.5	0	0	0	0	0	114.5	Y379	G376-Y379 PolarHBondContact N-O 2.99Å
377	F	95.4	Very high	96.9	Very high	168 Å²	168	57.6 Å²	57.6	74%	0.737	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-59.8	176.8	-60.4	-83.2	0	0	0	111.9	Y374 E375	Y374-F377 PolarHBondContact O-N 3.19Å; Y374-F377 VanDerWaalsContact O-N 3.12Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.5Å
378	F	94.7	Very high	96.7	Very high	127 Å²	127	64.5 Å²	64.5	56%	0.557	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-26.5	-177	-63.7	-42.7	0	0	0	113.2	L362 Y374	L362-F378 HydrophobicContact CD1-CB 3.88Å; L362-F378 HydrophobicContact CD1-CD1 4.29Å; L362-F378 HydrophobicContact CD1-CD2 4.48Å; L362-F378 HydrophobicContact CD1-CG 3.99Å; Y374-F378 HydrophobicContact CD1-CD2 4.01Å; Y374-F378 AromaticContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD2-CD2 4.11Å; Y374-F378 HydrophobicContact CD2-CE2 4.23Å; Y374-F378 HydrophobicContact CE1-CE2 4.04Å; Y374-F378 HydrophobicContact CE2-CE2 4.48Å; Y374-F378 AromaticContact CG-CD2 3.71Å; Y374-F378 HydrophobicContact CG-CD2 3.71Å; Y374-F378 AromaticContact CG-CE2 3.85Å; Y374-F378 HydrophobicContact CG-CE2 3.85Å; Y374-F378 PolarHBondContact O-N 3.4Å; Y374-F378 VanDerWaalsContact O-N 3.16Å
379	Y	96	Very high	96.6	Very high	10 Å²	10	66.9 Å²	66.9	4%	0.039	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-151.4	162.8	-179.3	33.8	-111.1	0	0	0	110.3	L362 K370 W371 Y374 E375 G376 W400	L362-Y379 HydrophobicContact CD2-CD1 4.17Å; L362-Y379 HydrophobicContact CD2-CE1 4.36Å; K370-Y379 HydrophobicContact CB-CD2 4.1Å; K370-Y379 HydrophobicContact CB-CE2 3.76Å; K370-Y379 HydrophobicContact CD-CD2 4.04Å; K370-Y379 HydrophobicContact CD-CG 4.31Å; K370-Y379 VanDerWaalsContact CE-CD2 3.48Å; K370-Y379 HydrophobicContact CG-CD1 4.15Å; K370-Y379 HydrophobicContact CG-CD2 3.65Å; K370-Y379 HydrophobicContact CG-CE1 4.29Å; K370-Y379 HydrophobicContact CG-CE2 3.81Å; K370-Y379 HydrophobicContact CG-CG 3.83Å; W371-Y379 WeakPolarHBondContact CA-OH 3.32Å; W371-Y379 WeakPolarHBondContact CB-OH 3.38Å; W371-Y379 PolarHBondContact N-OH 2.99Å; W371-Y379 WeakPolarHBondContact O-CE2 3.32Å; W371-Y379 PolarHBondContact O-OH 2.63Å; Y374-Y379 VanDerWaalsContact CB-OH 3.29Å; Y374-Y379 WeakPolarHBondContact CB-OH 3.36Å; E375-Y379 HydrophobicContact CB-CE2 4.38Å; E375-Y379 HydrophobicContact CG-CD2 3.94Å; E375-Y379 HydrophobicContact CG-CE2 3.64Å; G376-Y379 PolarHBondContact N-O 2.99Å; Y379-W400 HydrophobicContact CG-CH2 4.48Å
380	P	95.8	Very high	96.6	Very high	64 Å²	64	66.3 Å²	66.3	42%	0.416	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-56.8	170.3	178.2	-24.7	34.9	0	0	0	113.3	K370 W400	K370-P380 WeakPolarHBondContact CE-O 3.08Å; K370-P380 PolarHBondContact NZ-O 2.75Å; P380-W400 HydrophobicContact CG-CD2 4.4Å; P380-W400 HydrophobicContact CG-CG 4.4Å
381	G	97.1	Very high	96.7	Very high	42 Å²	42	66.3 Å²	66.3	43%	0.433	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62.3	147.3	170.8	0	0	0	0	0	112.5	K370	K370-G381 PolarHBondContact NZ-O 2.04Å
382	C	97.8	Very high	96.7	Very high	23 Å²	23	62.6 Å²	62.6	16%	0.155	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.7	131.8	172.5	-174.8	0	0	0	0	109.9	E375 S385 H386 C391	E375-C382 WeakPolarHBondContact OE1-CB 3.39Å; E375-C382 WeakPolarHBondContact OE2-CB 3.43Å; E375-C382 PolarHBondContact OE2-N 2.8Å; C382-S385 PolarHBondContact SG-O 2.67Å; C382-S385 VanDerWaalsContact SG-O 3.38Å; C382-H386 VanDerWaalsContact CB-NE2 3.33Å; C382-H386 WeakPolarHBondContact CB-NE2 3.47Å; C382-C391 HydrophobicContact CB-CB 3.75Å; C382-C391 WeakPolarHBondContact CB-SG 3.25Å; C382-C391 WeakPolarHBondContact SG-CB 3.08Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.8Å
383	T	97	Very high	96.8	Very high	47 Å²	47	59.5 Å²	59.5	29%	0.288	32%	0.316	S	S	.	.	S	Bend	trans	-95.8	-16.6	-179.9	67.6	0	0	0	0	112.4	R91 G394 A396 E397	R91-T383 PolarHBondContact NH1-O 3.43Å; R91-T383 PolarHBondContact NH2-O 3.2Å; T383-G394 VanDerWaalsContact OG1-CA 3.29Å; T383-G394 WeakPolarHBondContact OG1-CA 3.1Å; T383-G394 PolarHBondContact OG1-N 3.16Å; T383-G394 PolarHBondContact OG1-O 3.23Å; T383-A396 HydrophobicContact CG2-CB 3.82Å; T383-E397 WeakPolarHBondContact CB-OE2 3.49Å; T383-E397 HydrophobicContact CG2-CG 3.63Å; T383-E397 PolarHBondContact N-OE2 3.29Å; T383-E397 WeakPolarHBondContact OG1-CG 3.29Å; T383-E397 PolarHBondContact OG1-OE2 2.68Å
384	G	96.5	Very high	96.8	Very high	15 Å²	15	53.8 Å²	53.8	16%	0.155	29%	0.294	C	S	.	.	S	Bend	trans	-87.1	-111.9	175	0	0	0	0	0	112.7	R91 I392	R91-G384 PolarHBondContact NH2-O 3.12Å; G384-I392 CarbonylContact C-O 3.55Å; G384-I392 WeakPolarHBondContact CA-O 3.03Å
385	S	97.1	Very high	96.9	Very high	44 Å²	44	49 Å²	49	31%	0.308	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	177.9	179.5	68	0	0	0	0	111.3	C382 C391 I392 V416	C382-S385 PolarHBondContact SG-O 2.67Å; C382-S385 VanDerWaalsContact SG-O 3.38Å; S385-C391 CarbonylContact O-C 3.57Å; S385-C391 WeakPolarHBondContact O-CA 3.19Å; S385-I392 PolarHBondContact N-O 2.77Å; S385-I392 PolarHBondContact O-N 2.64Å; S385-V416 WeakPolarHBondContact OG-CG1 3.44Å; S385-V416 WeakPolarHBondContact OG-CG2 3.36Å
386	H	98.1	Very high	96.9	Very high	83 Å²	83	48.6 Å²	48.6	38%	0.384	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.6	177	-60.4	92.1	0	0	0	111.8	N372 E375 C382 V390	N372-H386 VanDerWaalsContact CB-CD2 3.5Å; N372-H386 WeakPolarHBondContact CB-CD2 3.34Å; E375-H386 IonicContact OE1-CD2 2.69Å; E375-H386 IonicContact OE1-CE1 3.43Å; E375-H386 IonicContact OE1-NE2 2.73Å; E375-H386 PolarHBondContact OE1-NE2 2.95Å; E375-H386 IonicContact OE2-CE1 3.57Å; E375-H386 IonicContact OE2-NE2 3.4Å; E375-H386 PolarHBondContact OE2-NE2 2.68Å; C382-H386 VanDerWaalsContact CB-NE2 3.33Å; C382-H386 WeakPolarHBondContact CB-NE2 3.47Å; H386-V390 WeakPolarHBondContact CA-O 3.42Å
387	L	96.6	Very high	96.9	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.435	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120	170.2	-178	65.1	0	0	0	109.6	S389 V390 I392	L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.82Å; L387-V390 PolarHBondContact N-O 2.91Å; L387-V390 PolarHBondContact O-N 2.9Å; L387-I392 HydrophobicContact CB-CD1 3.91Å; L387-I392 HydrophobicContact CB-CG1 4.48Å
388	R	93.8	Very high	97.1	Very high	154 Å²	154	37.7 Å²	37.7	58%	0.581	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	48.1	-175.8	-60.8	-179.8	-73.8	173.3	-5.6	111.9	V390	R388-V390 PolarHBondContact O-N 2.8Å; R388-V390 VanDerWaalsContact O-N 3.11Å
389	S	96.8	Very high	97.2	Very high	50 Å²	50	34.6 Å²	34.6	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-0.2	-179.2	-49.8	0	0	0	0	116.4	W371 N372 L387	W371-S389 CarbonylContact C-O 3.5Å; W371-S389 WeakPolarHBondContact CA-O 3.45Å; N372-S389 PolarHBondContact N-O 3.16Å; N372-S389 WeakPolarHBondContact OD1-CB 3.46Å; L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.82Å
390	V	98.1	Very high	97.3	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.7	176.2	-179.6	0	0	0	0	110	V369 K370 W371 H386 L387 R388 K411	V369-V390 HydrophobicContact CG1-CG1 3.71Å; V369-V390 HydrophobicContact CG1-CG2 4.35Å; K370-V390 CarbonylContact O-C 3.57Å; K370-V390 WeakPolarHBondContact O-CA 3.45Å; W371-V390 HydrophobicContact CD2-CG2 4.49Å; W371-V390 HydrophobicContact CE3-CG2 3.97Å; W371-V390 HydrophobicContact CH2-CG2 4.04Å; W371-V390 HydrophobicContact CZ3-CG2 3.73Å; H386-V390 WeakPolarHBondContact CA-O 3.42Å; L387-V390 PolarHBondContact N-O 2.91Å; L387-V390 PolarHBondContact O-N 2.9Å; R388-V390 PolarHBondContact O-N 2.8Å; R388-V390 VanDerWaalsContact O-N 3.11Å; V390-K411 HydrophobicContact CG1-CD 4.04Å; V390-K411 HydrophobicContact CG1-CG 4.1Å
391	C	98.6	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.2	172.6	177.6	0	0	0	0	110.5	K370 C382 S385 K411	K370-C391 HydrophobicContact CB-CB 3.67Å; K370-C391 PolarHBondContact O-N 2.83Å; C382-C391 HydrophobicContact CB-CB 3.75Å; C382-C391 WeakPolarHBondContact CB-SG 3.25Å; C382-C391 WeakPolarHBondContact SG-CB 3.08Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.8Å; S385-C391 CarbonylContact O-C 3.57Å; S385-C391 WeakPolarHBondContact O-CA 3.19Å; C391-K411 PolarHBondContact O-N 3.27Å
392	I	98.6	Very high	97.4	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	159	-54.4	173.3	0	0	0	105.2	G384 S385 L387 K411 D413 V416	G384-I392 CarbonylContact C-O 3.55Å; G384-I392 WeakPolarHBondContact CA-O 3.03Å; S385-I392 PolarHBondContact N-O 2.77Å; S385-I392 PolarHBondContact O-N 2.64Å; L387-I392 HydrophobicContact CB-CD1 3.91Å; L387-I392 HydrophobicContact CB-CG1 4.48Å; I392-K411 WeakPolarHBondContact CA-O 3.34Å; I392-K411 HydrophobicContact CG1-CB 4.26Å; I392-D413 HydrophobicContact CG2-CB 3.66Å; I392-V416 HydrophobicContact CB-CB 4.45Å; I392-V416 HydrophobicContact CB-CG1 4.18Å; I392-V416 HydrophobicContact CB-CG2 4.22Å; I392-V416 HydrophobicContact CD1-CG2 3.92Å; I392-V416 HydrophobicContact CG2-CB 3.7Å; I392-V416 HydrophobicContact CG2-CG1 3.82Å; I392-V416 HydrophobicContact CG2-CG2 3.75Å
393	Y	98.6	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	19%	0.186	C	C	.	.			trans	-63.3	152	-167.8	-63.5	-76	0	0	0	113.2	L368 K370 W400 L401 A409 N410 K411 F412 L420	L368-Y393 PolarHBondContact O-OH 3.42Å; L368-Y393 VanDerWaalsContact O-OH 3.12Å; K370-Y393 HydrophobicContact CB-CE1 4.47Å; K370-Y393 HydrophobicContact CD-CD1 4.3Å; K370-Y393 HydrophobicContact CD-CE1 3.52Å; K370-Y393 HydrophobicContact CG-CE1 3.93Å; K370-Y393 PolarHBondContact N-OH 3.18Å; Y393-W400 HydrophobicContact CE1-CZ3 4.26Å; Y393-L401 HydrophobicContact CD1-CD1 4.19Å; Y393-L401 HydrophobicContact CD1-CD2 3.84Å; Y393-L401 HydrophobicContact CD1-CG 4.43Å; Y393-L401 HydrophobicContact CD2-CD2 4.48Å; Y393-L401 HydrophobicContact CE1-CD2 3.63Å; Y393-L401 HydrophobicContact CE2-CD2 4.34Å; Y393-L401 HydrophobicContact CG-CD1 4.1Å; Y393-L401 HydrophobicContact CG-CD2 4.26Å; Y393-A409 HydrophobicContact CD2-CB 4.42Å; Y393-A409 HydrophobicContact CE2-CB 3.73Å; Y393-N410 WeakPolarHBondContact CE2-O 3.49Å; Y393-K411 VanDerWaalsContact CD2-O 3.23Å; Y393-K411 WeakPolarHBondContact CD2-O 3.42Å; Y393-K411 PolarHBondContact N-O 2.64Å; Y393-F412 HydrophobicContact CD2-CE1 4.28Å; Y393-F412 HydrophobicContact CD2-CE2 4.14Å; Y393-F412 HydrophobicContact CD2-CZ 4.01Å; Y393-F412 HydrophobicContact CE2-CE2 4.48Å; Y393-L420 VanDerWaalsContact C-CD2 3.5Å
394	G	98.2	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.			trans	-115.5	164	172.1	0	0	0	0	0	113	T383 A396 E397 D417	T383-G394 VanDerWaalsContact OG1-CA 3.29Å; T383-G394 WeakPolarHBondContact OG1-CA 3.1Å; T383-G394 PolarHBondContact OG1-N 3.16Å; T383-G394 PolarHBondContact OG1-O 3.23Å; G394-A396 PolarHBondContact O-N 2.89Å; G394-A396 VanDerWaalsContact O-N 3.13Å; G394-E397 PolarHBondContact N-OE2 2.69Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 3.18Å; G394-D417 WeakPolarHBondContact CA-OD2 3.44Å
395	A	97.9	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-59	-29.6	-172	0	0	0	0	0	113.8	I76 T87 E397 L398 D417 I419 L420	I76-A395 HydrophobicContact CG2-CB 4.15Å; I76-A395 WeakPolarHBondContact CG2-O 3.21Å; T87-A395 HydrophobicContact CG2-CB 3.76Å; A395-E397 PolarHBondContact O-N 3.4Å; A395-E397 VanDerWaalsContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-CB 3.29Å; A395-L398 WeakPolarHBondContact O-CB 2.94Å; A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.08Å; A395-D417 WeakPolarHBondContact CB-OD2 3.5Å; A395-D417 PolarHBondContact N-OD2 3.33Å; A395-I419 HydrophobicContact CB-CB 4.43Å; A395-I419 HydrophobicContact CB-CG2 4.31Å; A395-L420 HydrophobicContact CB-CB 4.27Å
396	A	97	Very high	97	Very high	28 Å²	28	36.5 Å²	36.5	23%	0.231	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-65.3	-14.1	177.5	0	0	0	0	0	114	I84 T383 G394	I84-A396 HydrophobicContact CD1-CB 4Å; I84-A396 HydrophobicContact CG2-CB 4.23Å; T383-A396 HydrophobicContact CG2-CB 3.82Å; G394-A396 PolarHBondContact O-N 2.89Å; G394-A396 VanDerWaalsContact O-N 3.13Å
397	E	96.3	Very high	97	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.028	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-90.2	-5.2	175.4	-70.6	165.9	101.8	0	0	113.6	K370 T383 G394 A395 R399 W400 L401	K370-E397 IonicContact NZ-OE1 3.57Å; K370-E397 PolarHBondContact NZ-OE1 3.02Å; T383-E397 WeakPolarHBondContact CB-OE2 3.49Å; T383-E397 HydrophobicContact CG2-CG 3.63Å; T383-E397 PolarHBondContact N-OE2 3.29Å; T383-E397 WeakPolarHBondContact OG1-CG 3.29Å; T383-E397 PolarHBondContact OG1-OE2 2.68Å; G394-E397 PolarHBondContact N-OE2 2.69Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 3.18Å; A395-E397 PolarHBondContact O-N 3.4Å; A395-E397 VanDerWaalsContact O-N 3.13Å; E397-R399 PolarHBondContact O-N 2.83Å; E397-W400 PolarHBondContact O-N 2.8Å; E397-L401 HydrophobicContact CB-CD1 4.11Å; E397-L401 HydrophobicContact CB-CG 4.16Å; E397-L401 WeakPolarHBondContact O-CG 3.45Å; E397-L401 PolarHBondContact O-N 3.11Å
398	L	98.3	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-48.2	-53	-172.8	177.3	63.4	0	0	0	113.4	I76 Y77 A395 W400 L401 I402 L420 C423 L424 K427	I76-L398 HydrophobicContact CB-CD2 4.07Å; I76-L398 HydrophobicContact CG2-CB 3.95Å; I76-L398 HydrophobicContact CG2-CD2 3.66Å; I76-L398 HydrophobicContact CG2-CG 4.47Å; Y77-L398 HydrophobicContact CD2-CG 4.47Å; A395-L398 VanDerWaalsContact O-CB 3.29Å; A395-L398 WeakPolarHBondContact O-CB 2.94Å; A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.08Å; L398-W400 VanDerWaalsContact C-N 3.33Å; L398-W400 PolarHBondContact O-N 3.14Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-I402 HydrophobicContact CD1-CD1 3.81Å; L398-I402 HydrophobicContact CD1-CG1 4.47Å; L398-I402 HydrophobicContact CG-CD1 4.21Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.43Å; L398-I402 VanDerWaalsContact O-N 3.14Å; L398-L420 HydrophobicContact CB-CD1 4.04Å; L398-L420 HydrophobicContact CD1-CD1 4.11Å; L398-C423 HydrophobicContact CD1-CB 4.45Å; L398-C423 HydrophobicContact CD2-CB 3.61Å; L398-L424 HydrophobicContact CD1-CB 3.92Å; L398-L424 HydrophobicContact CD1-CD1 4Å; L398-K427 HydrophobicContact CD2-CG 4.38Å
399	R	97.6	Very high	97.4	Very high	62 Å²	62	21.5 Å²	21.5	23%	0.234	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-39.6	-179.7	179.7	167.1	67.5	-171.8	7.5	112.6	Y77 E78 E397 K403	Y77-R399 HydrophobicContact CD2-CB 4.08Å; Y77-R399 HydrophobicContact CD2-CG 4.38Å; Y77-R399 HydrophobicContact CE2-CB 4.2Å; Y77-R399 HydrophobicContact CE2-CG 4.06Å; Y77-R399 VanDerWaalsContact O-CB 3.27Å; Y77-R399 WeakPolarHBondContact O-CB 3.44Å; Y77-R399 WeakPolarHBondContact O-CD 3.39Å; E78-R399 IonicContact OE2-NH1 3.07Å; E78-R399 PolarHBondContact OE2-NH1 3Å; E397-R399 PolarHBondContact O-N 2.83Å; R399-K403 HydrophobicContact CG-CD 3.99Å; R399-K403 WeakPolarHBondContact O-CB 3.5Å; R399-K403 VanDerWaalsContact O-CG 3.32Å; R399-K403 WeakPolarHBondContact O-CG 3.42Å; R399-K403 PolarHBondContact O-N 2.74Å
400	W	97.5	Very high	97.5	Very high	54 Å²	54	19.3 Å²	19.3	21%	0.205	10%	0.097	C	C	.	.	H	α-helix	trans	-67.3	-47.2	179.7	177	75.6	0	0	0	110.4	L368 K370 Y379 P380 Y393 E397 L398 I402 K403 D404	L368-W400 HydrophobicContact CD1-CH2 4Å; L368-W400 HydrophobicContact CD2-CH2 3.7Å; L368-W400 HydrophobicContact CD2-CZ3 3.7Å; L368-W400 HydrophobicContact CG-CH2 4.19Å; L368-W400 HydrophobicContact CG-CZ3 4.46Å; K370-W400 HydrophobicContact CD-CH2 3.9Å; K370-W400 HydrophobicContact CD-CZ3 3.78Å; K370-W400 HydrophobicContact CG-CH2 4.19Å; K370-W400 HydrophobicContact CG-CZ3 4.42Å; Y379-W400 HydrophobicContact CG-CH2 4.48Å; P380-W400 HydrophobicContact CG-CD2 4.4Å; P380-W400 HydrophobicContact CG-CG 4.4Å; Y393-W400 HydrophobicContact CE1-CZ3 4.26Å; E397-W400 PolarHBondContact O-N 2.8Å; L398-W400 VanDerWaalsContact C-N 3.33Å; L398-W400 PolarHBondContact O-N 3.14Å; W400-I402 VanDerWaalsContact C-N 3.34Å; W400-I402 PolarHBondContact O-N 2.9Å; W400-K403 PolarHBondContact O-N 3.41Å; W400-K403 VanDerWaalsContact O-N 3.09Å; W400-D404 HydrophobicContact CZ2-CB 4.49Å; W400-D404 VanDerWaalsContact CZ2-OD1 3.28Å; W400-D404 WeakPolarHBondContact CZ2-OD1 3.34Å; W400-D404 WeakPolarHBondContact O-CB 3.31Å; W400-D404 PolarHBondContact O-N 2.7Å
401	L	98.1	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-53.9	-46.8	177	-74.6	172.9	0	0	0	112.6	L233 L368 Y393 E397 L398 K403 A409 F412 L420	L233-L401 HydrophobicContact CD2-CB 3.81Å; L233-L401 HydrophobicContact CD2-CD2 4.42Å; L368-L401 HydrophobicContact CD2-CD2 3.8Å; Y393-L401 HydrophobicContact CD1-CD1 4.19Å; Y393-L401 HydrophobicContact CD1-CD2 3.84Å; Y393-L401 HydrophobicContact CD1-CG 4.43Å; Y393-L401 HydrophobicContact CD2-CD2 4.48Å; Y393-L401 HydrophobicContact CE1-CD2 3.63Å; Y393-L401 HydrophobicContact CE2-CD2 4.34Å; Y393-L401 HydrophobicContact CG-CD1 4.1Å; Y393-L401 HydrophobicContact CG-CD2 4.26Å; E397-L401 HydrophobicContact CB-CD1 4.11Å; E397-L401 HydrophobicContact CB-CG 4.16Å; E397-L401 WeakPolarHBondContact O-CG 3.45Å; E397-L401 PolarHBondContact O-N 3.11Å; L398-L401 PolarHBondContact O-N 2.93Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.19Å; L401-A409 HydrophobicContact CD2-CB 4.24Å; L401-F412 HydrophobicContact CD1-CE1 4.32Å; L401-F412 HydrophobicContact CD1-CZ 4.34Å; L401-L420 HydrophobicContact CD1-CD1 4.03Å; L401-L420 HydrophobicContact CD1-CD2 4.16Å
402	I	96.8	Very high	97.5	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-36.2	179.5	-69.2	171.8	0	0	0	111.8	Y77 K234 L398 W400 L424 K427 Q431	Y77-I402 HydrophobicContact CD2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CB 4.37Å; Y77-I402 HydrophobicContact CE2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CG2 4.31Å; K234-I402 PolarHBondContact NZ-O 2.7Å; L398-I402 HydrophobicContact CD1-CD1 3.81Å; L398-I402 HydrophobicContact CD1-CG1 4.47Å; L398-I402 HydrophobicContact CG-CD1 4.21Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.43Å; L398-I402 VanDerWaalsContact O-N 3.14Å; W400-I402 VanDerWaalsContact C-N 3.34Å; W400-I402 PolarHBondContact O-N 2.9Å; I402-L424 HydrophobicContact CD1-CD1 4.01Å; I402-L424 HydrophobicContact CG1-CD1 3.73Å; I402-K427 HydrophobicContact CD1-CB 3.72Å; I402-K427 HydrophobicContact CD1-CG 4.24Å; I402-Q431 VanDerWaalsContact CG2-NE2 3.29Å
403	K	95.8	Very high	97.4	Very high	136 Å²	136	21.1 Å²	21.1	59%	0.591	11%	0.105	S	C	*	.	H	α-helix	trans	-86.7	-19.8	-175.1	-71.7	-172.6	178.3	-172.7	0	114.6	Y77 R399 W400 L401 G405	Y77-K403 VanDerWaalsContact OH-CE 3.27Å; Y77-K403 WeakPolarHBondContact OH-CE 3.41Å; R399-K403 HydrophobicContact CG-CD 3.99Å; R399-K403 WeakPolarHBondContact O-CB 3.5Å; R399-K403 VanDerWaalsContact O-CG 3.32Å; R399-K403 WeakPolarHBondContact O-CG 3.42Å; R399-K403 PolarHBondContact O-N 2.74Å; W400-K403 PolarHBondContact O-N 3.41Å; W400-K403 VanDerWaalsContact O-N 3.09Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.19Å; K403-G405 VanDerWaalsContact C-N 3.32Å; K403-G405 PolarHBondContact O-N 3.39Å
404	D	92	Very high	97.3	Very high	59 Å²	59	21.2 Å²	21.2	32%	0.316	11%	0.105	S	C	.	.	H	α-helix	trans	-62	-36.3	-171.6	-174.8	78.9	0	0	0	113.2	L368 W400 H406	L368-D404 HydrophobicContact CD2-CB 4.07Å; L368-D404 WeakPolarHBondContact CD2-OD2 3.41Å; W400-D404 HydrophobicContact CZ2-CB 4.49Å; W400-D404 VanDerWaalsContact CZ2-OD1 3.28Å; W400-D404 WeakPolarHBondContact CZ2-OD1 3.34Å; W400-D404 WeakPolarHBondContact O-CB 3.31Å; W400-D404 PolarHBondContact O-N 2.7Å; D404-H406 IonicContact OD2-CE1 3.27Å; D404-H406 PolarHBondContact OD2-CE1 3.45Å; D404-H406 VanDerWaalsContact OD2-CE1 3.3Å; D404-H406 IonicContact OD2-CG 3.68Å; D404-H406 IonicContact OD2-ND1 2.92Å; D404-H406 PolarHBondContact OD2-ND1 3.3Å
405	G	94.8	Very high	97.2	Very high	22 Å²	22	27 Å²	27	23%	0.227	13%	0.131	C	C	.	.			trans	110.3	-6.1	169.6	0	0	0	0	0	115.7	K403	K403-G405 VanDerWaalsContact C-N 3.32Å; K403-G405 PolarHBondContact O-N 3.39Å
406	H	98.2	Very high	97.1	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.042	14%	0.138	C	C	.	.			trans	-68.2	160.7	167.3	-67.4	78.2	0	0	0	111.5	L233 D361 S364 L368 D404	L233-H406 WeakPolarHBondContact CB-O 3.24Å; L233-H406 HydrophobicContact CD1-CB 4.07Å; D361-H406 PolarHBondContact O-NE2 2.88Å; S364-H406 PolarHBondContact O-CD2 3Å; S364-H406 PolarHBondContact O-NE2 2.9Å; L368-H406 HydrophobicContact CB-CB 3.77Å; D404-H406 IonicContact OD2-CE1 3.27Å; D404-H406 PolarHBondContact OD2-CE1 3.45Å; D404-H406 VanDerWaalsContact OD2-CE1 3.3Å; D404-H406 IonicContact OD2-CG 3.68Å; D404-H406 IonicContact OD2-ND1 2.92Å; D404-H406 PolarHBondContact OD2-ND1 3.3Å
407	W	98.6	Very high	97.2	Very high	3 Å²	3	27 Å²	27	1%	0.011	13%	0.127	C	C	.	.	S	Bend	trans	-89.2	-31	-178.2	-58.5	-26.9	0	0	0	112.9	L233 L239 E242 L243 L246 M251 V306 K365	L233-W407 PolarHBondContact N-O 3.46Å; L239-W407 HydrophobicContact CD1-CB 3.93Å; L239-W407 HydrophobicContact CD1-CD2 4.12Å; L239-W407 HydrophobicContact CD1-CG 3.84Å; E242-W407 HydrophobicContact CB-CZ2 4.07Å; L243-W407 HydrophobicContact CD2-CE3 4.42Å; L243-W407 HydrophobicContact CD2-CH2 4.11Å; L243-W407 HydrophobicContact CD2-CZ3 4.01Å; L246-W407 HydrophobicContact CD1-CH2 3.86Å; L246-W407 HydrophobicContact CD2-CH2 4.21Å; L246-W407 HydrophobicContact CG-CH2 4.31Å; M251-W407 HydrophobicContact CB-CH2 3.79Å; M251-W407 HydrophobicContact CB-CZ3 3.83Å; M251-W407 HydrophobicContact CG-CH2 3.74Å; M251-W407 HydrophobicContact CG-CZ3 3.79Å; V306-W407 HydrophobicContact CB-CE3 4.5Å; V306-W407 HydrophobicContact CB-CZ3 3.83Å; V306-W407 HydrophobicContact CG1-CZ3 4.03Å; V306-W407 HydrophobicContact CG2-CE3 3.69Å; V306-W407 HydrophobicContact CG2-CZ3 3.51Å; K365-W407 HydrophobicContact CB-CD2 3.84Å; K365-W407 HydrophobicContact CB-CE3 4.25Å; K365-W407 HydrophobicContact CB-CG 4.28Å; K365-W407 HydrophobicContact CB-CH2 4.21Å; K365-W407 HydrophobicContact CB-CZ2 3.82Å; K365-W407 HydrophobicContact CB-CZ3 4.41Å; K365-W407 HydrophobicContact CD-CZ2 3.89Å; K365-W407 HydrophobicContact CG-CZ2 4.49Å; K365-W407 PolarHBondContact O-N 3.16Å
408	F	98.9	Very high	97.2	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.1	177.3	-64.8	-96.9	0	0	0	110.4	Y135 I153 I224 L226 F231 P232 L239 R367 L368	Y135-F408 AromaticContact CE1-CZ 3.94Å; Y135-F408 HydrophobicContact CE1-CZ 3.94Å; I153-F408 HydrophobicContact CG2-CE1 3.94Å; I153-F408 HydrophobicContact CG2-CZ 4.47Å; I224-F408 HydrophobicContact CD1-CE2 3.84Å; I224-F408 HydrophobicContact CD1-CZ 4.33Å; I224-F408 HydrophobicContact CG2-CD2 4.26Å; I224-F408 HydrophobicContact CG2-CE2 3.86Å; I224-F408 HydrophobicContact CG2-CZ 4.4Å; L226-F408 HydrophobicContact CD1-CE1 4.05Å; L226-F408 HydrophobicContact CD2-CD1 3.52Å; L226-F408 HydrophobicContact CD2-CD2 4.31Å; L226-F408 HydrophobicContact CD2-CE1 3.68Å; L226-F408 HydrophobicContact CD2-CE2 4.46Å; L226-F408 HydrophobicContact CD2-CG 3.9Å; L226-F408 HydrophobicContact CD2-CZ 4.17Å; F231-F408 WeakPolarHBondContact O-CA 3.48Å; P232-F408 VanDerWaalsContact CA-CD1 3.47Å; P232-F408 HydrophobicContact CB-CD1 4.05Å; P232-F408 HydrophobicContact CB-CE1 3.78Å; P232-F408 HydrophobicContact CB-CZ 4.47Å; L239-F408 HydrophobicContact CD1-CE2 4.48Å; L239-F408 HydrophobicContact CD2-CE2 4.15Å; L239-F408 HydrophobicContact CD2-CZ 4.13Å; R367-F408 CarbonylContact C-O 3.44Å; R367-F408 WeakPolarHBondContact CA-O 3.22Å; L368-F408 PolarHBondContact N-O 3.12Å
409	A	98.7	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.4	175.3	0	0	0	0	0	112.4	D230 F231 L233 L368 Y393 L401 F412	D230-A409 WeakPolarHBondContact CA-O 3.34Å; F231-A409 PolarHBondContact N-O 3.01Å; F231-A409 PolarHBondContact O-N 2.93Å; L233-A409 HydrophobicContact CD1-CB 3.77Å; L233-A409 HydrophobicContact CD2-CB 4.01Å; L233-A409 HydrophobicContact CG-CB 3.99Å; L368-A409 HydrophobicContact CB-CB 4.21Å; L368-A409 CarbonylContact O-C 3.58Å; L368-A409 VanDerWaalsContact O-CA 3.31Å; L368-A409 WeakPolarHBondContact O-CA 3.36Å; Y393-A409 HydrophobicContact CD2-CB 4.42Å; Y393-A409 HydrophobicContact CE2-CB 3.73Å; L401-A409 HydrophobicContact CD2-CB 4.24Å; A409-F412 HydrophobicContact CB-CE2 3.53Å; A409-F412 HydrophobicContact CB-CZ 3.78Å; A409-F412 WeakPolarHBondContact O-CE2 3.4Å
410	N	98.6	Very high	97.2	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.027	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.2	174	-166.2	-112.6	0	0	0	109.2	C227 D230 R367 L368 V369 Y393	C227-N410 PolarHBondContact SG-ND2 2.69Å; C227-N410 VanDerWaalsContact SG-ND2 3.41Å; D230-N410 VanDerWaalsContact OD1-CB 3.27Å; D230-N410 WeakPolarHBondContact OD1-CB 3.43Å; D230-N410 PolarHBondContact OD1-ND2 3.15Å; R367-N410 HydrophobicContact CG-CB 3.87Å; L368-N410 PolarHBondContact O-N 2.92Å; V369-N410 HydrophobicContact CG2-CB 4.05Å; Y393-N410 WeakPolarHBondContact CE2-O 3.49Å
411	K	97.9	Very high	97.2	Very high	25 Å²	25	22 Å²	22	11%	0.109	11%	0.111	C	C	.	.			cis	-124	152.8	15.4	-66.8	174.1	-174.3	172.7	0	113.3	Q229 V390 C391 I392 Y393	Q229-K411 HydrophobicContact CB-CB 4.29Å; Q229-K411 HydrophobicContact CB-CG 4.34Å; Q229-K411 WeakPolarHBondContact O-CA 3.46Å; V390-K411 HydrophobicContact CG1-CD 4.04Å; V390-K411 HydrophobicContact CG1-CG 4.1Å; C391-K411 PolarHBondContact O-N 3.27Å; I392-K411 WeakPolarHBondContact CA-O 3.34Å; I392-K411 HydrophobicContact CG1-CB 4.26Å; Y393-K411 VanDerWaalsContact CD2-O 3.23Å; Y393-K411 WeakPolarHBondContact CD2-O 3.42Å; Y393-K411 PolarHBondContact N-O 2.64Å
412	F	98.6	Very high	97.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	13%	0.13	C	C	.	.			trans	-115.2	140.9	168.9	-61.3	-96	0	0	0	110.3	M145 Q229 F231 Y393 L401 A409 L420 I421 L424	M145-F412 HydrophobicContact CE-CB 3.95Å; Q229-F412 PolarHBondContact NE2-O 2.92Å; Q229-F412 PolarHBondContact O-N 3.43Å; F231-F412 HydrophobicContact CB-CD1 4.26Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.24Å; F231-F412 HydrophobicContact CB-CE2 3.35Å; F231-F412 HydrophobicContact CB-CG 3.84Å; F231-F412 HydrophobicContact CB-CZ 3.82Å; Y393-F412 HydrophobicContact CD2-CE1 4.28Å; Y393-F412 HydrophobicContact CD2-CE2 4.14Å; Y393-F412 HydrophobicContact CD2-CZ 4.01Å; Y393-F412 HydrophobicContact CE2-CE2 4.48Å; L401-F412 HydrophobicContact CD1-CE1 4.32Å; L401-F412 HydrophobicContact CD1-CZ 4.34Å; A409-F412 HydrophobicContact CB-CE2 3.53Å; A409-F412 HydrophobicContact CB-CZ 3.78Å; A409-F412 WeakPolarHBondContact O-CE2 3.4Å; F412-L420 HydrophobicContact CD1-CD2 3.8Å; F412-L420 HydrophobicContact CD1-CG 4.22Å; F412-L420 HydrophobicContact CE1-CD2 3.6Å; F412-L420 HydrophobicContact CE1-CG 3.97Å; F412-I421 HydrophobicContact CB-CD1 4.39Å; F412-I421 HydrophobicContact CB-CG1 4.18Å; F412-I421 HydrophobicContact CD1-CG1 4.21Å; F412-L424 HydrophobicContact CE1-CD2 3.62Å; F412-L424 HydrophobicContact CZ-CD2 3.65Å
413	D	98	Very high	97.2	Very high	24 Å²	24	26.2 Å²	26.2	13%	0.128	13%	0.128	C	C	.	.			trans	-149.1	120.1	175.3	-166.5	-33.7	0	0	0	108.4	I392 K415 V416 D417	I392-D413 HydrophobicContact CG2-CB 3.66Å; D413-K415 PolarHBondContact O-N 3.27Å; D413-K415 WeakPolarHBondContact OD1-CB 3.33Å; D413-K415 PolarHBondContact OD1-N 3.23Å; D413-V416 HydrophobicContact CB-CB 4.24Å; D413-V416 HydrophobicContact CB-CG2 4.01Å; D413-V416 WeakPolarHBondContact O-CB 3.33Å; D413-V416 PolarHBondContact O-N 2.77Å; D413-D417 PolarHBondContact O-N 2.88Å
414	S	96.1	Very high	97.4	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.028	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	179.9	54.5	0	0	0	0	112.8	I95 D97 V416 P418	I95-S414 WeakPolarHBondContact CG2-O 3.36Å; D97-S414 WeakPolarHBondContact OD2-CB 3.5Å; D97-S414 PolarHBondContact OD2-OG 2.83Å; S414-V416 VanDerWaalsContact C-N 3.25Å; S414-V416 PolarHBondContact O-N 2.98Å; S414-P418 WeakPolarHBondContact O-CD 3.45Å
415	K	95.6	Very high	97.7	Very high	121 Å²	121	18 Å²	18	53%	0.526	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14	172.9	-62.8	167	179.4	157.6	0	112.3	D142 D413	D142-K415 IonicContact OD1-NZ 2.68Å; D142-K415 PolarHBondContact OD1-NZ 3.31Å; D413-K415 PolarHBondContact O-N 3.27Å; D413-K415 WeakPolarHBondContact OD1-CB 3.33Å; D413-K415 PolarHBondContact OD1-N 3.23Å
416	V	97.1	Very high	97.8	Very high	25 Å²	25	19.9 Å²	19.9	15%	0.152	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-49.8	173.9	174.3	0	0	0	0	111.1	R91 S385 I392 D413 S414	R91-V416 WeakPolarHBondContact CG-O 3.48Å; S385-V416 WeakPolarHBondContact OG-CG1 3.44Å; S385-V416 WeakPolarHBondContact OG-CG2 3.36Å; I392-V416 HydrophobicContact CB-CB 4.45Å; I392-V416 HydrophobicContact CB-CG1 4.18Å; I392-V416 HydrophobicContact CB-CG2 4.22Å; I392-V416 HydrophobicContact CD1-CG2 3.92Å; I392-V416 HydrophobicContact CG2-CB 3.7Å; I392-V416 HydrophobicContact CG2-CG1 3.82Å; I392-V416 HydrophobicContact CG2-CG2 3.75Å; D413-V416 HydrophobicContact CB-CB 4.24Å; D413-V416 HydrophobicContact CB-CG2 4.01Å; D413-V416 WeakPolarHBondContact O-CB 3.33Å; D413-V416 PolarHBondContact O-N 2.77Å; S414-V416 VanDerWaalsContact C-N 3.25Å; S414-V416 PolarHBondContact O-N 2.98Å
417	D	97.4	Very high	97.8	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.098	C	C	.	.			trans	-156.3	95.7	177.4	-162.4	-34.8	0	0	0	111.2	R91 G394 A395 D413 I419 L420	R91-D417 WeakPolarHBondContact CD-OD2 3.48Å; G394-D417 WeakPolarHBondContact CA-OD2 3.44Å; A395-D417 WeakPolarHBondContact CB-OD2 3.5Å; A395-D417 PolarHBondContact N-OD2 3.33Å; D413-D417 PolarHBondContact O-N 2.88Å; D417-I419 VanDerWaalsContact C-N 3.26Å; D417-I419 PolarHBondContact O-N 2.9Å; D417-I419 WeakPolarHBondContact OD1-CB 3.22Å; D417-I419 PolarHBondContact OD1-N 2.85Å; D417-I419 VanDerWaalsContact OD1-N 3.08Å; D417-L420 HydrophobicContact CB-CB 4.33Å; D417-L420 PolarHBondContact OD1-N 3.46Å; D417-L420 VanDerWaalsContact OD1-N 3.08Å
418	P	96.6	Very high	97.7	Very high	9 Å²	9	20.6 Å²	20.6	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-21.9	179.8	30.3	-32.7	0	0	0	112	Y44 V46 I95 S414 I421 K422	Y44-P418 HydrophobicContact CD1-CG 4.18Å; Y44-P418 HydrophobicContact CE1-CG 3.86Å; V46-P418 HydrophobicContact CG1-CB 4.16Å; V46-P418 HydrophobicContact CG2-CB 3.66Å; V46-P418 HydrophobicContact CG2-CG 3.94Å; I95-P418 HydrophobicContact CD1-CG 4.44Å; I95-P418 HydrophobicContact CG2-CG 4.16Å; S414-P418 WeakPolarHBondContact O-CD 3.45Å; P418-I421 PolarHBondContact O-N 3.32Å; P418-K422 PolarHBondContact O-N 3.18Å
419	I	97.4	Very high	97.6	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-71.3	-39.7	-178.6	-57.9	-56	0	0	0	110.5	Y44 V71 T87 I90 A395 D417 I421 K422 C423	Y44-I419 WeakPolarHBondContact OH-CD1 3.25Å; V71-I419 HydrophobicContact CB-CD1 4.39Å; V71-I419 HydrophobicContact CB-CG2 4.08Å; V71-I419 HydrophobicContact CG1-CG2 3.68Å; V71-I419 HydrophobicContact CG2-CD1 4.01Å; V71-I419 HydrophobicContact CG2-CG1 4.28Å; V71-I419 HydrophobicContact CG2-CG2 4.27Å; T87-I419 HydrophobicContact CG2-CB 4.08Å; T87-I419 HydrophobicContact CG2-CG1 4.29Å; T87-I419 HydrophobicContact CG2-CG2 3.67Å; I90-I419 HydrophobicContact CD1-CD1 3.93Å; I90-I419 HydrophobicContact CD1-CG1 3.97Å; A395-I419 HydrophobicContact CB-CB 4.43Å; A395-I419 HydrophobicContact CB-CG2 4.31Å; D417-I419 VanDerWaalsContact C-N 3.26Å; D417-I419 PolarHBondContact O-N 2.9Å; D417-I419 WeakPolarHBondContact OD1-CB 3.22Å; D417-I419 PolarHBondContact OD1-N 2.85Å; D417-I419 VanDerWaalsContact OD1-N 3.08Å; I419-I421 VanDerWaalsContact C-N 3.29Å; I419-I421 PolarHBondContact O-N 3.37Å; I419-K422 PolarHBondContact O-N 3.05Å; I419-C423 WeakPolarHBondContact O-CB 3.41Å; I419-C423 PolarHBondContact O-N 3.2Å; I419-C423 PolarHBondContact O-SG 3.32Å
420	L	98.3	Very high	97.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-56.1	-46	175	177	61	0	0	0	111.7	Y393 A395 L398 L401 F412 D417 C423 L424	Y393-L420 VanDerWaalsContact C-CD2 3.5Å; A395-L420 HydrophobicContact CB-CB 4.27Å; L398-L420 HydrophobicContact CB-CD1 4.04Å; L398-L420 HydrophobicContact CD1-CD1 4.11Å; L401-L420 HydrophobicContact CD1-CD1 4.03Å; L401-L420 HydrophobicContact CD1-CD2 4.16Å; F412-L420 HydrophobicContact CD1-CD2 3.8Å; F412-L420 HydrophobicContact CD1-CG 4.22Å; F412-L420 HydrophobicContact CE1-CD2 3.6Å; F412-L420 HydrophobicContact CE1-CG 3.97Å; D417-L420 HydrophobicContact CB-CB 4.33Å; D417-L420 PolarHBondContact OD1-N 3.46Å; D417-L420 VanDerWaalsContact OD1-N 3.08Å; L420-C423 PolarHBondContact O-N 3.14Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 2.93Å
421	I	98.3	Very high	97.4	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-47.4	-177.6	-62.6	158.7	0	0	0	110.4	M145 F231 F412 P418 I419 L424 A425	M145-I421 HydrophobicContact CE-CD1 3.75Å; M145-I421 HydrophobicContact CE-CG1 4.42Å; M145-I421 HydrophobicContact SD-CD1 3.61Å; F231-I421 HydrophobicContact CD2-CG2 4.38Å; F231-I421 HydrophobicContact CE2-CG2 3.79Å; F231-I421 HydrophobicContact CZ-CG2 3.98Å; F412-I421 HydrophobicContact CB-CD1 4.39Å; F412-I421 HydrophobicContact CB-CG1 4.18Å; F412-I421 HydrophobicContact CD1-CG1 4.21Å; P418-I421 PolarHBondContact O-N 3.32Å; I419-I421 VanDerWaalsContact C-N 3.29Å; I419-I421 PolarHBondContact O-N 3.37Å; I421-L424 PolarHBondContact O-N 3.16Å; I421-A425 WeakPolarHBondContact O-CB 3.4Å; I421-A425 PolarHBondContact O-N 3.07Å
422	K	97.1	Very high	97.4	Very high	92 Å²	92	28.4 Å²	28.4	40%	0.4	14%	0.137	S	C	.	.	H	α-helix	trans	-55.9	-53.6	174.5	174.2	180	180	-71	0	111.3	P418 I419 L424 A425 E426	P418-K422 PolarHBondContact O-N 3.18Å; I419-K422 PolarHBondContact O-N 3.05Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-L424 PolarHBondContact O-N 3.26Å; K422-A425 PolarHBondContact O-N 3.07Å; K422-E426 WeakPolarHBondContact CE-OE1 3.38Å; K422-E426 VanDerWaalsContact CG-OE1 3.31Å; K422-E426 WeakPolarHBondContact CG-OE1 3.26Å; K422-E426 IonicContact NZ-OE1 3.57Å; K422-E426 PolarHBondContact NZ-OE1 3.49Å; K422-E426 IonicContact NZ-OE2 3.23Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 2.69Å
423	C	98.4	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-32.3	-175.1	-65.5	0	0	0	0	113.3	C73 L398 I419 L420 K427	C73-C423 WeakPolarHBondContact CA-SG 3.38Å; C73-C423 HydrophobicContact CB-CB 3.45Å; C73-C423 VanDerWaalsContact CB-CB 3.45Å; C73-C423 WeakPolarHBondContact CB-SG 3.38Å; C73-C423 WeakPolarHBondContact SG-CA 3.42Å; C73-C423 WeakPolarHBondContact SG-CB 3.27Å; C73-C423 CovalentContact SG-SG 2.03Å; C73-C423 PolarHBondContact SG-SG 3.33Å; L398-C423 HydrophobicContact CD1-CB 4.45Å; L398-C423 HydrophobicContact CD2-CB 3.61Å; I419-C423 WeakPolarHBondContact O-CB 3.41Å; I419-C423 PolarHBondContact O-N 3.2Å; I419-C423 PolarHBondContact O-SG 3.32Å; L420-C423 PolarHBondContact O-N 3.14Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 WeakPolarHBondContact O-CG 3.27Å; C423-K427 PolarHBondContact O-N 3.19Å
424	L	98.5	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-45.9	173.2	-174.4	55.1	0	0	0	110.5	F231 P232 L233 L398 I402 F412 L420 I421 K422 E426 K427 L428	F231-L424 HydrophobicContact CB-CD2 4.3Å; F231-L424 HydrophobicContact CD1-CB 4.33Å; F231-L424 HydrophobicContact CD1-CD2 3.49Å; F231-L424 VanDerWaalsContact CD1-CD2 3.49Å; F231-L424 HydrophobicContact CD1-CG 3.78Å; F231-L424 HydrophobicContact CE1-CB 4.3Å; F231-L424 HydrophobicContact CE1-CD2 4.26Å; F231-L424 HydrophobicContact CE1-CG 4.09Å; F231-L424 HydrophobicContact CG-CD2 4.27Å; P232-L424 WeakPolarHBondContact O-CD2 3.42Å; L233-L424 HydrophobicContact CD2-CD1 4.3Å; L233-L424 HydrophobicContact CD2-CD2 4.1Å; L398-L424 HydrophobicContact CD1-CB 3.92Å; L398-L424 HydrophobicContact CD1-CD1 4Å; I402-L424 HydrophobicContact CD1-CD1 4.01Å; I402-L424 HydrophobicContact CG1-CD1 3.73Å; F412-L424 HydrophobicContact CE1-CD2 3.62Å; F412-L424 HydrophobicContact CZ-CD2 3.65Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 2.93Å; I421-L424 PolarHBondContact O-N 3.16Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-L424 PolarHBondContact O-N 3.26Å; L424-E426 PolarHBondContact O-N 3.12Å; L424-K427 PolarHBondContact O-N 2.8Å; L424-L428 HydrophobicContact CD1-CD1 4.32Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.25Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.39Å
425	A	98.1	Very high	97	Very high	22 Å²	22	41.8 Å²	41.8	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-49.8	174.9	0	0	0	0	0	112.1	F231 I421 K422 K427 L428 E429	F231-A425 HydrophobicContact CE1-CB 4.23Å; F231-A425 HydrophobicContact CZ-CB 4.12Å; I421-A425 WeakPolarHBondContact O-CB 3.4Å; I421-A425 PolarHBondContact O-N 3.07Å; K422-A425 PolarHBondContact O-N 3.07Å; A425-K427 PolarHBondContact O-N 2.82Å; A425-L428 PolarHBondContact O-N 3.27Å; A425-E429 WeakPolarHBondContact O-CG 3.38Å; A425-E429 PolarHBondContact O-N 2.71Å
426	E	97.6	Very high	96.9	Very high	63 Å²	63	37 Å²	37	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-57.8	-45.6	178.2	-74.4	176.4	-162.5	0	0	112.1	C73 K422 L424 L428 E429 E430	C73-E426 VanDerWaalsContact CB-OE2 3.25Å; C73-E426 WeakPolarHBondContact CB-OE2 3.5Å; C73-E426 PolarHBondContact SG-OE2 2.96Å; K422-E426 WeakPolarHBondContact CE-OE1 3.38Å; K422-E426 VanDerWaalsContact CG-OE1 3.31Å; K422-E426 WeakPolarHBondContact CG-OE1 3.26Å; K422-E426 IonicContact NZ-OE1 3.57Å; K422-E426 PolarHBondContact NZ-OE1 3.49Å; K422-E426 IonicContact NZ-OE2 3.23Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 2.69Å; L424-E426 PolarHBondContact O-N 3.12Å; E426-L428 PolarHBondContact O-N 3.13Å; E426-E429 PolarHBondContact O-N 3.23Å; E426-E430 WeakPolarHBondContact O-CG 3.4Å; E426-E430 PolarHBondContact O-N 3.16Å
427	K	98	Very high	96.6	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-35.8	-179.7	-72.5	-73.5	164.8	-124.7	0	112.8	S74 Y77 L398 I402 C423 L424 A425 E430 Q431	S74-K427 PolarHBondContact OG-NZ 3.37Å; Y77-K427 HydrophobicContact CD2-CD 4.31Å; Y77-K427 HydrophobicContact CG-CD 4.3Å; L398-K427 HydrophobicContact CD2-CG 4.38Å; I402-K427 HydrophobicContact CD1-CB 3.72Å; I402-K427 HydrophobicContact CD1-CG 4.24Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 WeakPolarHBondContact O-CG 3.27Å; C423-K427 PolarHBondContact O-N 3.19Å; L424-K427 PolarHBondContact O-N 2.8Å; A425-K427 PolarHBondContact O-N 2.82Å; K427-E430 IonicContact NZ-OE1 2.72Å; K427-E430 PolarHBondContact NZ-OE1 2.79Å; K427-E430 IonicContact NZ-OE2 3.33Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.27Å; K427-Q431 WeakPolarHBondContact O-CB 3.38Å; K427-Q431 VanDerWaalsContact O-CG 3.3Å; K427-Q431 WeakPolarHBondContact O-CG 3.4Å; K427-Q431 PolarHBondContact O-N 2.98Å
428	L	97.8	Very high	96.2	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-68.9	-35.8	175.5	-66.7	175	0	0	0	112	P232 L424 A425 E426 Q432	P232-L428 HydrophobicContact CB-CD1 3.94Å; P232-L428 HydrophobicContact CG-CD1 3.67Å; P232-L428 WeakPolarHBondContact O-CD1 3.49Å; L424-L428 HydrophobicContact CD1-CD1 4.32Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.25Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.39Å; A425-L428 PolarHBondContact O-N 3.27Å; E426-L428 PolarHBondContact O-N 3.13Å; L428-Q432 WeakPolarHBondContact O-CB 3.24Å; L428-Q432 PolarHBondContact O-N 2.83Å
429	E	96.8	Very high	95.6	Very high	81 Å²	81	44.7 Å²	44.7	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-68.4	-40.1	173.5	-71.5	-173.7	177.2	0	0	112.6	H151 A425 E426 Q432 R433	H151-E429 IonicContact CE1-OE1 3.77Å; A425-E429 WeakPolarHBondContact O-CG 3.38Å; A425-E429 PolarHBondContact O-N 2.71Å; E426-E429 PolarHBondContact O-N 3.23Å; E429-Q432 PolarHBondContact O-N 2.95Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE2-NH1 3.3Å
430	E	96.4	Very high	94.8	Very high	59 Å²	59	47.7 Å²	47.7	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-51.6	171.1	-72.7	172.2	-156.9	0	0	110.8	E426 K427 Q432 R433 D434	E426-E430 WeakPolarHBondContact O-CG 3.4Å; E426-E430 PolarHBondContact O-N 3.16Å; K427-E430 IonicContact NZ-OE1 2.72Å; K427-E430 PolarHBondContact NZ-OE1 2.79Å; K427-E430 IonicContact NZ-OE2 3.33Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.27Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.48Å; E430-R433 VanDerWaalsContact CG-NH2 3.3Å; E430-R433 WeakPolarHBondContact O-CB 3.25Å; E430-R433 PolarHBondContact O-N 2.86Å; E430-R433 VanDerWaalsContact O-N 3.08Å; E430-D434 PolarHBondContact O-N 3.22Å
431	Q	96	Very high	93.7	Very high	36 Å²	36	53 Å²	53	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-41.7	177.5	-74.8	176.2	-23.9	0	0	112.4	E238 I402 K427 R433 D434 W435	E238-Q431 PolarHBondContact OE2-OE1 3.45Å; I402-Q431 VanDerWaalsContact CG2-NE2 3.29Å; K427-Q431 WeakPolarHBondContact O-CB 3.38Å; K427-Q431 VanDerWaalsContact O-CG 3.3Å; K427-Q431 WeakPolarHBondContact O-CG 3.4Å; K427-Q431 PolarHBondContact O-N 2.98Å; Q431-R433 VanDerWaalsContact C-N 3.33Å; Q431-R433 PolarHBondContact O-N 2.74Å; Q431-D434 PolarHBondContact O-N 3.43Å; Q431-W435 WeakPolarHBondContact O-CB 3.33Å; Q431-W435 PolarHBondContact O-N 3.45Å
432	Q	96.7	Very high	92.4	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.093	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-44	176	-177.5	68.6	11.7	0	0	111.6	L123 E128 L428 E429 E430 I436	L123-Q432 PolarHBondContact O-NE2 2.68Å; E128-Q432 PolarHBondContact OE1-NE2 2.68Å; E128-Q432 PolarHBondContact OE2-NE2 3.41Å; L428-Q432 WeakPolarHBondContact O-CB 3.24Å; L428-Q432 PolarHBondContact O-N 2.83Å; E429-Q432 PolarHBondContact O-N 2.95Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.48Å; Q432-I436 HydrophobicContact CG-CD1 4.14Å; Q432-I436 WeakPolarHBondContact O-CB 3.35Å; Q432-I436 WeakPolarHBondContact O-CG1 3.31Å; Q432-I436 PolarHBondContact O-N 3.25Å; Q432-I436 VanDerWaalsContact O-N 3.14Å
433	R	96.2	Very high	90.9	Very high	108 Å²	108	59.5 Å²	59.5	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-46.4	176.8	-73.1	-172.5	-71.4	-88.4	2.1	111.7	L123 E429 E430 Q431 I436 T437	L123-R433 HydrophobicContact CD1-CB 4.31Å; L123-R433 HydrophobicContact CD1-CG 3.63Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE2-NH1 3.3Å; E430-R433 VanDerWaalsContact CG-NH2 3.3Å; E430-R433 WeakPolarHBondContact O-CB 3.25Å; E430-R433 PolarHBondContact O-N 2.86Å; E430-R433 VanDerWaalsContact O-N 3.08Å; Q431-R433 VanDerWaalsContact C-N 3.33Å; Q431-R433 PolarHBondContact O-N 2.74Å; R433-I436 PolarHBondContact O-N 2.81Å; R433-T437 WeakPolarHBondContact O-CB 3.3Å; R433-T437 PolarHBondContact O-N 3.29Å; R433-T437 PolarHBondContact O-OG1 2.86Å
434	D	95.2	Very high	89.1	Confident	97 Å²	97	65.5 Å²	65.5	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-48	-178	-67.9	-12.7	0	0	0	110.9	E430 Q431 I436 T437 L438	E430-D434 PolarHBondContact O-N 3.22Å; Q431-D434 PolarHBondContact O-N 3.43Å; D434-I436 PolarHBondContact O-N 3.5Å; D434-T437 PolarHBondContact O-N 2.74Å; D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.4Å; D434-L438 PolarHBondContact O-N 2.88Å
435	W	94.1	Very high	87	Confident	105 Å²	105	71.1 Å²	71.1	40%	0.398	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-41.4	179.5	-77.9	122.9	0	0	0	113.3	F237 E238 Q431 T437 L438 S439	F237-W435 HydrophobicContact CB-CB 4.16Å; F237-W435 HydrophobicContact CD1-CB 3.44Å; F237-W435 VanDerWaalsContact CD1-CB 3.44Å; F237-W435 HydrophobicContact CD1-CD2 4.1Å; F237-W435 HydrophobicContact CD1-CE3 4.5Å; F237-W435 AromaticContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD2-CB 4.32Å; F237-W435 HydrophobicContact CE1-CB 3.85Å; F237-W435 HydrophobicContact CE1-CD2 4.11Å; F237-W435 HydrophobicContact CE1-CE3 4.05Å; F237-W435 HydrophobicContact CE1-CG 4.05Å; F237-W435 HydrophobicContact CG-CB 3.7Å; F237-W435 HydrophobicContact CG-CG 4.31Å; F237-W435 HydrophobicContact CZ-CB 4.45Å; E238-W435 VanDerWaalsContact CD-NE1 3.35Å; E238-W435 VanDerWaalsContact CG-NE1 3.26Å; Q431-W435 WeakPolarHBondContact O-CB 3.33Å; Q431-W435 PolarHBondContact O-N 3.45Å; W435-T437 VanDerWaalsContact C-N 3.33Å; W435-L438 HydrophobicContact CE3-CD1 4.4Å; W435-S439 VanDerWaalsContact O-CB 3.23Å; W435-S439 WeakPolarHBondContact O-CB 3.43Å; W435-S439 PolarHBondContact O-N 3.44Å
436	I	92.9	Very high	85	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-40.3	177.1	-74.6	178.3	0	0	0	111.1	L123 F237 Q432 R433 D434 S440	L123-I436 VanDerWaalsContact C-CD1 3.47Å; L123-I436 HydrophobicContact CB-CD1 3.45Å; L123-I436 VanDerWaalsContact CB-CD1 3.45Å; F237-I436 HydrophobicContact CD2-CG1 4.45Å; Q432-I436 HydrophobicContact CG-CD1 4.14Å; Q432-I436 WeakPolarHBondContact O-CB 3.35Å; Q432-I436 WeakPolarHBondContact O-CG1 3.31Å; Q432-I436 PolarHBondContact O-N 3.25Å; Q432-I436 VanDerWaalsContact O-N 3.14Å; R433-I436 PolarHBondContact O-N 2.81Å; D434-I436 PolarHBondContact O-N 3.5Å; I436-S440 WeakPolarHBondContact O-CB 3.38Å; I436-S440 PolarHBondContact O-N 2.8Å; I436-S440 PolarHBondContact O-OG 2.89Å
437	T	91.3	Very high	82.8	Confident	71 Å²	71	78.5 Å²	78.5	44%	0.436	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-52.1	178.5	-56	0	0	0	0	110.3	R433 D434 W435 S439 S440 E441	R433-T437 WeakPolarHBondContact O-CB 3.3Å; R433-T437 PolarHBondContact O-N 3.29Å; R433-T437 PolarHBondContact O-OG1 2.86Å; D434-T437 PolarHBondContact O-N 2.74Å; W435-T437 VanDerWaalsContact C-N 3.33Å; T437-S439 VanDerWaalsContact C-N 3.34Å; T437-S439 PolarHBondContact O-N 2.84Å; T437-S440 WeakPolarHBondContact O-CB 3.16Å; T437-S440 PolarHBondContact O-N 2.95Å; T437-S440 VanDerWaalsContact O-N 3.11Å; T437-E441 PolarHBondContact O-N 3.46Å
438	L	89.4	Confident	80.4	Confident	94 Å²	94	81.2 Å²	81.2	49%	0.492	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-41.3	178.1	-70.8	169.7	0	0	0	112.8	D434 W435 S440 E441 K442	D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.4Å; D434-L438 PolarHBondContact O-N 2.88Å; W435-L438 HydrophobicContact CE3-CD1 4.4Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 3.46Å; L438-E441 PolarHBondContact O-N 2.89Å; L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 2.84Å
439	S	84	Confident	78.4	Confident	33 Å²	33	86.3 Å²	86.3	23%	0.231	42%	0.417	C	S	.	.	H	α-helix	trans	-63.4	-38.8	176.7	-175.5	0	0	0	0	111.9	W435 T437 L443	W435-S439 VanDerWaalsContact O-CB 3.23Å; W435-S439 WeakPolarHBondContact O-CB 3.43Å; W435-S439 PolarHBondContact O-N 3.44Å; T437-S439 VanDerWaalsContact C-N 3.34Å; T437-S439 PolarHBondContact O-N 2.84Å; S439-L443 WeakPolarHBondContact O-CG 3.49Å; S439-L443 PolarHBondContact O-N 2.89Å; S439-L443 VanDerWaalsContact O-N 3.12Å
440	S	79.3	Confident	76.4	Confident	66 Å²	66	87.1 Å²	87.1	46%	0.462	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-41	179.1	-58.3	0	0	0	0	112.2	I436 T437 L438 L443 F444	I436-S440 WeakPolarHBondContact O-CB 3.38Å; I436-S440 PolarHBondContact O-N 2.8Å; I436-S440 PolarHBondContact O-OG 2.89Å; T437-S440 WeakPolarHBondContact O-CB 3.16Å; T437-S440 PolarHBondContact O-N 2.95Å; T437-S440 VanDerWaalsContact O-N 3.11Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 3.46Å; S440-L443 PolarHBondContact O-N 3.41Å; S440-F444 PolarHBondContact O-N 3.42Å; S440-F444 VanDerWaalsContact O-N 3.08Å
441	E	75.4	Confident	74.3	Confident	111 Å²	111	89.5 Å²	89.5	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-42.9	174.9	-71.8	178.2	174.6	0	0	112	T437 L438 L443 F444 M445	T437-E441 PolarHBondContact O-N 3.46Å; L438-E441 PolarHBondContact O-N 2.89Å; E441-L443 PolarHBondContact O-N 3.25Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3.39Å; E441-F444 VanDerWaalsContact O-N 3.11Å; E441-M445 WeakPolarHBondContact O-CG 3.3Å; E441-M445 PolarHBondContact O-N 3.33Å
442	K	70.6	Confident	72.2	Confident	145 Å²	145	93.4 Å²	93.4	63%	0.63	47%	0.473	S	S	*	.	H	α-helix	trans	-60.5	-45.1	176.3	-172.1	177.2	180	179.8	0	111.8	L438 F444 M445 D446	L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 2.84Å; K442-F444 PolarHBondContact O-N 2.83Å; K442-M445 PolarHBondContact O-N 3.48Å; K442-D446 PolarHBondContact O-N 3Å
443	L	67.4	Low	69.4	Low	90 Å²	90	99.7 Å²	99.7	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-34.4	174.8	-78.4	166.2	0	0	0	112.7	S439 S440 E441 R447	S439-L443 WeakPolarHBondContact O-CG 3.49Å; S439-L443 PolarHBondContact O-N 2.89Å; S439-L443 VanDerWaalsContact O-N 3.12Å; S440-L443 PolarHBondContact O-N 3.41Å; E441-L443 PolarHBondContact O-N 3.25Å; L443-R447 WeakPolarHBondContact O-CG 3.34Å; L443-R447 PolarHBondContact O-N 3Å
444	F	59.6	Low	68.1	Low	126 Å²	126	99.3 Å²	99.3	55%	0.553	53%	0.525	S	S	*	.	H	α-helix	trans	-69.3	-43.6	176.1	-175.5	-98	0	0	0	111.9	S440 E441 K442 R447 N448	S440-F444 PolarHBondContact O-N 3.42Å; S440-F444 VanDerWaalsContact O-N 3.08Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3.39Å; E441-F444 VanDerWaalsContact O-N 3.11Å; K442-F444 PolarHBondContact O-N 2.83Å; F444-R447 PolarHBondContact O-N 3.42Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.39Å; F444-N448 PolarHBondContact O-N 3.28Å; F444-N448 VanDerWaalsContact O-N 3.12Å
445	M	55	Low	66.7	Low	119 Å²	119	99.4 Å²	99.4	59%	0.586	53%	0.525	S	S	*	.	H	α-helix	trans	-63.6	-43.6	176.3	-66.8	-62.7	-177.6	0	0	112.3	E441 K442 R447 N448 L449	E441-M445 WeakPolarHBondContact O-CG 3.3Å; E441-M445 PolarHBondContact O-N 3.33Å; K442-M445 PolarHBondContact O-N 3.48Å; M445-R447 VanDerWaalsContact C-N 3.3Å; M445-R447 PolarHBondContact O-N 3.03Å; M445-N448 PolarHBondContact O-N 3.39Å; M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 3.45Å; M445-L449 VanDerWaalsContact O-N 3.09Å
446	D	54.5	Low	65.1	Low	80 Å²	80	99.1 Å²	99.1	43%	0.428	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-34	178.2	-71.3	-18.4	0	0	0	112.3	K442 T450	K442-D446 PolarHBondContact O-N 3Å; D446-T450 PolarHBondContact O-N 3.19Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 3.04Å
447	R	51.7	Low	63.5	Low	160 Å²	160	103.6 Å²	103.6	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-67	-43.4	173.3	-79.9	177	177.4	-161	-5.4	112.5	L443 F444 M445 L449 T450 T451	L443-R447 WeakPolarHBondContact O-CG 3.34Å; L443-R447 PolarHBondContact O-N 3Å; F444-R447 PolarHBondContact O-N 3.42Å; M445-R447 VanDerWaalsContact C-N 3.3Å; M445-R447 PolarHBondContact O-N 3.03Å; R447-L449 VanDerWaalsContact C-N 3.27Å; R447-L449 PolarHBondContact O-N 3.42Å; R447-T450 WeakPolarHBondContact CA-OG1 3.26Å; R447-T450 PolarHBondContact O-N 2.85Å; R447-T450 PolarHBondContact O-OG1 2.73Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å; R447-T451 PolarHBondContact O-N 3.07Å; R447-T451 PolarHBondContact O-OG1 3.45Å
448	N	48.2	Very low	61.8	Low	70 Å²	70	105.6 Å²	105.6	37%	0.374	56%	0.564	S	S	.	*	H	α-helix	trans	-65.4	-33	179	-70.5	-18.1	0	0	0	112	F444 M445 T451 T452	F444-N448 WeakPolarHBondContact CE1-ND2 3.39Å; F444-N448 PolarHBondContact O-N 3.28Å; F444-N448 VanDerWaalsContact O-N 3.12Å; M445-N448 PolarHBondContact O-N 3.39Å; N448-T451 WeakPolarHBondContact CA-OG1 3.5Å; N448-T451 PolarHBondContact O-OG1 2.97Å; N448-T452 PolarHBondContact O-OG1 2.9Å
449	L	55	Low	59.9	Low	120 Å²	120	106.4 Å²	106.4	63%	0.628	57%	0.569	S	S	*	*	H	α-helix	trans	-72.1	-29.3	174.6	-71.9	166.5	0	0	0	113.1	M445 R447 T452	M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 3.45Å; M445-L449 VanDerWaalsContact O-N 3.09Å; R447-L449 VanDerWaalsContact C-N 3.27Å; R447-L449 PolarHBondContact O-N 3.42Å; L449-T452 PolarHBondContact O-OG1 3.13Å
450	T	54.8	Low	58.2	Low	97 Å²	97	111.6 Å²	111.6	60%	0.595	59%	0.593	S	S	*	*	H	α-helix	trans	-88.5	-17.9	178.5	39.3	0	0	0	0	113.7	D446 R447 S453	D446-T450 PolarHBondContact O-N 3.19Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 3.04Å; R447-T450 WeakPolarHBondContact CA-OG1 3.26Å; R447-T450 PolarHBondContact O-N 2.85Å; R447-T450 PolarHBondContact O-OG1 2.73Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å; T450-S453 PolarHBondContact O-OG 3.37Å
451	T	53.6	Low	56.6	Low	109 Å²	109	115.2 Å²	115.2	67%	0.669	60%	0.603	S	S	*	*	S	Bend	trans	-87.4	-4	172.2	47.7	0	0	0	0	114.3	R447 N448	R447-T451 PolarHBondContact O-N 3.07Å; R447-T451 PolarHBondContact O-OG1 3.45Å; N448-T451 WeakPolarHBondContact CA-OG1 3.5Å; N448-T451 PolarHBondContact O-OG1 2.97Å
452	T	50.5	Low	55	Low	118 Å²	118	115.5 Å²	115.5	72%	0.724	61%	0.61	S	S	*	*			trans	-107.5	9.6	-179.6	43.9	0	0	0	0	113.9	N448 L449	N448-T452 PolarHBondContact O-OG1 2.9Å; L449-T452 PolarHBondContact O-OG1 3.13Å
453	S	39.6	Very low	53.6	Low	152 Å²	152	112.8 Å²	112.8	100%	1.063	61%	0.609	S	S	*	*			trans	-114.8	0	169.6	59.6	0	0	0	0	110.3	T450	T450-S453 PolarHBondContact O-OG 3.37Å

Retrieved 453 of 453 residues in 195.5 ms (Link to these results)

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