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Monoacylglycerol lipase ABHD2

Progesterone-dependent acylglycerol lipase that catalyzes hydrolysis of endocannabinoid arachidonoylglycerol (AG) from cell membrane¹. Acts as a progesterone receptor: progesterone-binding activates the acylglycerol lipase activity, mediating degradation of 1-arachidonoylglycerol (1AG) and 2-arachidonoylglycerol (2AG) to glycerol and arachidonic acid (AA)². Also displays an ester hydrolase activity against acetyl ester, butanoate ester and hexadecanoate ester³. Plays a key role in sperm capacitation in response to progesterone by mediating degradation of 2AG, an inhibitor of the sperm calcium channel CatSper, leading to calcium influx via CatSper and sperm activation⁴. May also play a role in smooth muscle cells migration (By similarity).

AlphaFold DB , UniProt , Accession P08910, Species HUMAN (Homo sapiens, Human), Gene ABHD2, Length 425 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	42.3	Very low	48.8	Very low	233 Å²	233	150.8 Å²	150.8	100%	1.148	82%	0.822	S	S	*	*				0	111.7	0	-87.2	168.3	103.4	0	0	108
2	N	45.7	Very low	49.5	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	81%	0.813	S	S	*	*			trans	174.2	81.3	138.1	-89.1	-4.9	0	0	0	106.9	M4	N2-M4 PolarHBondContact O-N 2.93Å
3	A	46.3	Very low	49.9	Very low	102 Å²	102	142.6 Å²	142.6	84%	0.843	80%	0.801	S	S	*	*			trans	-69.3	91.6	158.8	0	0	0	0	0	106.4	L5	A3-L5 PolarHBondContact O-N 2.88Å
4	M	50	Low	50.4	Low	168 Å²	168	141.7 Å²	141.7	83%	0.828	79%	0.785	S	S	*	*			trans	-80	104.2	164.6	-82.1	-168.6	166.2	0	0	107	N2 E6	N2-M4 PolarHBondContact O-N 2.93Å; M4-E6 PolarHBondContact O-N 3.13Å
5	L	50.4	Low	52.1	Low	162 Å²	162	140.1 Å²	140.1	85%	0.848	78%	0.775	S	S	*	*			trans	-45.6	117	169.9	-72.9	140.6	0	0	0	109.6	A3 T7	A3-L5 PolarHBondContact O-N 2.88Å; L5-T7 PolarHBondContact O-N 3.45Å
6	E	48.6	Very low	54	Low	192 Å²	192	134 Å²	134	90%	0.897	75%	0.753	S	S	*	*			trans	-58.6	102.9	164.5	-73.3	176.2	162.7	0	0	107.9	M4	M4-E6 PolarHBondContact O-N 3.13Å
7	T	48.5	Very low	55.9	Low	121 Å²	121	131.8 Å²	131.8	74%	0.742	74%	0.743	S	S	*	*			trans	-65	124.3	162.4	38.4	0	0	0	0	107.5	L5 E9	L5-T7 PolarHBondContact O-N 3.45Å; T7-E9 PolarHBondContact O-N 3.16Å
8	P	50.4	Low	57.5	Low	119 Å²	119	131.3 Å²	131.3	77%	0.773	73%	0.732	S	S	*	*			trans	-64.9	113.7	179.4	25.3	-31.4	0	0	0	108.7	L10	P8-L10 PolarHBondContact O-N 2.96Å
9	E	53	Low	59.1	Low	184 Å²	184	130.7 Å²	130.7	86%	0.86	73%	0.726	S	S	*	*			trans	-58.8	104.5	165.8	-72.7	-173.6	158.8	0	0	107.4	T7 P11	T7-E9 PolarHBondContact O-N 3.16Å; E9-P11 WeakPolarHBondContact O-CD 3.46Å; E9-P11 VanDerWaalsContact O-N 3.1Å
10	L	52	Low	60.6	Low	144 Å²	144	127.2 Å²	127.2	75%	0.754	72%	0.715	S	S	*	*			trans	-56.8	115.2	167.3	-98	148.1	0	0	0	107.2	P8	P8-L10 PolarHBondContact O-N 2.96Å
11	P	49.9	Very low	61.9	Low	90 Å²	90	123.7 Å²	123.7	58%	0.584	70%	0.702	S	S	*	*			trans	-75.5	150.7	-160.2	29.2	-35	0	0	0	110.9	E9 V13 F14	E9-P11 WeakPolarHBondContact O-CD 3.46Å; E9-P11 VanDerWaalsContact O-N 3.1Å; P11-V13 PolarHBondContact O-N 2.93Å; P11-F14 PolarHBondContact O-N 3.1Å
12	A	57.2	Low	64.2	Low	86 Å²	86	116.5 Å²	116.5	71%	0.711	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.6	-17	-176.1	0	0	0	0	0	118.7	F14 D15 G16	A12-F14 PolarHBondContact O-N 2.96Å; A12-D15 WeakPolarHBondContact O-CB 3.34Å; A12-D15 PolarHBondContact O-N 3.38Å; A12-D15 VanDerWaalsContact O-N 3.1Å; A12-G16 PolarHBondContact O-N 3.08Å
13	V	54.9	Low	66.3	Low	109 Å²	109	112.2 Å²	112.2	66%	0.661	66%	0.656	S	S	*	*	H	α-helix	trans	-54.7	-37.9	171.7	-173.3	0	0	0	0	112.1	P11 D15 G16 V17	P11-V13 PolarHBondContact O-N 2.93Å; V13-D15 PolarHBondContact O-N 3.11Å; V13-G16 PolarHBondContact O-N 3.47Å; V13-V17 PolarHBondContact O-N 3.09Å
14	F	55.9	Low	68.4	Low	130 Å²	130	110 Å²	110	57%	0.57	64%	0.637	S	S	*	*	H	α-helix	trans	-67.6	-26.1	179.4	-134.8	-85.8	0	0	0	112.7	P11 A12 K18	P11-F14 PolarHBondContact O-N 3.1Å; A12-F14 PolarHBondContact O-N 2.96Å; F14-K18 HydrophobicContact CD1-CD 4.49Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.13Å
15	D	75.7	Confident	70.2	Confident	118 Å²	118	106.1 Å²	106.1	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-80.2	-39.9	177.7	-153.6	9.4	0	0	0	111	A12 V13 V17 K18 L19	A12-D15 WeakPolarHBondContact O-CB 3.34Å; A12-D15 PolarHBondContact O-N 3.38Å; A12-D15 VanDerWaalsContact O-N 3.1Å; V13-D15 PolarHBondContact O-N 3.11Å; D15-V17 PolarHBondContact O-N 3.23Å; D15-K18 PolarHBondContact O-N 3.39Å; D15-L19 WeakPolarHBondContact O-CB 3.5Å; D15-L19 PolarHBondContact O-N 3.43Å
16	G	83	Confident	71.9	Confident	42 Å²	42	103 Å²	103	43%	0.433	61%	0.607	S	S	.	*	H	α-helix	trans	-60	-41.1	174.7	0	0	0	0	0	113.6	A12 V13 L19 A20	A12-G16 PolarHBondContact O-N 3.08Å; V13-G16 PolarHBondContact O-N 3.47Å; G16-L19 PolarHBondContact O-N 3.43Å; G16-A20 VanDerWaalsContact O-CB 3.26Å; G16-A20 WeakPolarHBondContact O-CB 3.16Å; G16-A20 PolarHBondContact O-N 3.27Å
17	V	85.9	Confident	73.7	Confident	96 Å²	96	100.3 Å²	100.3	58%	0.582	59%	0.589	S	S	*	*	H	α-helix	trans	-68	-42.1	177.4	176.5	0	0	0	0	111.5	V13 D15 A20 A21	V13-V17 PolarHBondContact O-N 3.09Å; D15-V17 PolarHBondContact O-N 3.23Å; V17-A20 PolarHBondContact O-N 2.99Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.33Å
18	K	85.2	Confident	75.5	Confident	123 Å²	123	98.5 Å²	98.5	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-62.5	-45.4	175.2	-75.3	174.7	179.2	172.4	0	111.1	F14 D15 A20 A21 V22	F14-K18 HydrophobicContact CD1-CD 4.49Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.13Å; D15-K18 PolarHBondContact O-N 3.39Å; K18-A20 PolarHBondContact O-N 3.39Å; K18-A21 PolarHBondContact O-N 3.05Å; K18-V22 WeakPolarHBondContact O-CB 3.3Å; K18-V22 VanDerWaalsContact O-CG2 3.27Å; K18-V22 WeakPolarHBondContact O-CG2 3.43Å; K18-V22 PolarHBondContact O-N 3.24Å
19	L	88.1	Confident	77.1	Confident	120 Å²	120	96.5 Å²	96.5	63%	0.628	56%	0.56	S	S	*	*	H	α-helix	trans	-62.2	-43.6	177.5	-170.6	69.7	0	0	0	111.4	D15 G16 V22 A23	D15-L19 WeakPolarHBondContact O-CB 3.5Å; D15-L19 PolarHBondContact O-N 3.43Å; G16-L19 PolarHBondContact O-N 3.43Å; L19-V22 PolarHBondContact O-N 2.92Å; L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.88Å
20	A	89	Confident	78.5	Confident	61 Å²	61	90.1 Å²	90.1	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.8	0	0	0	0	0	112.3	G16 V17 K18 A23 A24	G16-A20 VanDerWaalsContact O-CB 3.26Å; G16-A20 WeakPolarHBondContact O-CB 3.16Å; G16-A20 PolarHBondContact O-N 3.27Å; V17-A20 PolarHBondContact O-N 2.99Å; K18-A20 PolarHBondContact O-N 3.39Å; A20-A23 PolarHBondContact O-N 2.74Å; A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.03Å
21	A	88.8	Confident	80	Confident	53 Å²	53	91.4 Å²	91.4	44%	0.438	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-44.9	175.2	0	0	0	0	0	111.7	V17 K18 A24 V25	V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.33Å; K18-A21 PolarHBondContact O-N 3.05Å; A21-A24 PolarHBondContact O-N 3.49Å; A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 3.45Å
22	V	89.4	Confident	81.5	Confident	83 Å²	83	90.9 Å²	90.9	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.1	171.2	0	0	0	0	110.8	K18 L19 A24 V25 L26	K18-V22 WeakPolarHBondContact O-CB 3.3Å; K18-V22 VanDerWaalsContact O-CG2 3.27Å; K18-V22 WeakPolarHBondContact O-CG2 3.43Å; K18-V22 PolarHBondContact O-N 3.24Å; L19-V22 PolarHBondContact O-N 2.92Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 2.84Å; V22-V25 PolarHBondContact O-N 2.69Å; V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.64Å
23	A	89.7	Confident	82.8	Confident	54 Å²	54	88.2 Å²	88.2	45%	0.446	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-39.8	177.1	0	0	0	0	0	112.1	L19 A20 L26 Y27	L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.88Å; A20-A23 PolarHBondContact O-N 2.74Å; A23-L26 PolarHBondContact O-N 3.27Å; A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.03Å; A23-Y27 PolarHBondContact O-N 2.85Å
24	A	90.3	Very high	84.3	Confident	54 Å²	54	85.9 Å²	85.9	45%	0.446	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-44.2	174.9	0	0	0	0	0	111.6	A20 A21 V22 Y27 V28	A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.03Å; A21-A24 PolarHBondContact O-N 3.49Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 2.84Å; A24-Y27 PolarHBondContact O-N 3.34Å; A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 2.95Å
25	V	87.6	Confident	85.5	Confident	87 Å²	87	82.7 Å²	82.7	53%	0.527	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-47	175.3	170.5	0	0	0	0	110.8	A21 V22 Y27 V28 I29	A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 3.45Å; V22-V25 PolarHBondContact O-N 2.69Å; V25-Y27 VanDerWaalsContact C-N 3.33Å; V25-Y27 PolarHBondContact O-N 2.76Å; V25-V28 PolarHBondContact O-N 3.25Å; V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.46Å; V25-I29 PolarHBondContact O-N 3.13Å
26	L	86.9	Confident	85.9	Confident	98 Å²	98	85.8 Å²	85.8	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-61.7	-41	176.3	-72.3	174.2	0	0	0	111.8	V22 A23 I29 V30	V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.64Å; A23-L26 PolarHBondContact O-N 3.27Å; L26-I29 PolarHBondContact O-N 3.25Å; L26-V30 WeakPolarHBondContact O-CB 3.36Å; L26-V30 VanDerWaalsContact O-CG2 3.24Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.41Å
27	Y	86.3	Confident	86.2	Confident	135 Å²	135	84.7 Å²	84.7	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-45.7	175.6	175.3	-94.6	0	0	0	111.7	A23 A24 V25 I29 V30 R31	A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.03Å; A23-Y27 PolarHBondContact O-N 2.85Å; A24-Y27 PolarHBondContact O-N 3.34Å; V25-Y27 VanDerWaalsContact C-N 3.33Å; V25-Y27 PolarHBondContact O-N 2.76Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.37Å; Y27-V30 PolarHBondContact O-N 2.82Å; Y27-R31 HydrophobicContact CD1-CG 4.2Å; Y27-R31 HydrophobicContact CD2-CG 4.47Å; Y27-R31 HydrophobicContact CE1-CG 3.79Å; Y27-R31 HydrophobicContact CE2-CG 4.09Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 VanDerWaalsContact O-CG 3.23Å; Y27-R31 WeakPolarHBondContact O-CG 3.12Å; Y27-R31 PolarHBondContact O-N 3.33Å; Y27-R31 PolarHBondContact OH-NE 3.49Å
28	V	85.6	Confident	86.5	Confident	82 Å²	82	84.1 Å²	84.1	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-45.1	175.2	170.9	0	0	0	0	110.3	A24 V25 R31 C32	A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 2.95Å; V25-V28 PolarHBondContact O-N 3.25Å; V28-R31 PolarHBondContact O-N 2.9Å; V28-C32 WeakPolarHBondContact O-CB 3.23Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 2.92Å
29	I	84.6	Confident	86.8	Confident	78 Å²	78	80.1 Å²	80.1	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-59.6	-51.8	176.2	-69.6	166.5	0	0	0	110.7	V25 L26 Y27 R31 C32 L33	V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.46Å; V25-I29 PolarHBondContact O-N 3.13Å; L26-I29 PolarHBondContact O-N 3.25Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.37Å; I29-R31 PolarHBondContact O-N 3.26Å; I29-C32 PolarHBondContact O-N 3.04Å; I29-L33 HydrophobicContact CG2-CD1 3.5Å; I29-L33 VanDerWaalsContact CG2-CD1 3.5Å; I29-L33 HydrophobicContact CG2-CG 4.05Å; I29-L33 VanDerWaalsContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.05Å
30	V	83.4	Confident	87.1	Confident	50 Å²	50	76.2 Å²	76.2	30%	0.303	43%	0.434	S	S	.	.	H	α-helix	trans	-58.5	-37.9	179.6	170.1	0	0	0	0	111.4	L26 Y27 N34 L35	L26-V30 WeakPolarHBondContact O-CB 3.36Å; L26-V30 VanDerWaalsContact O-CG2 3.24Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.41Å; Y27-V30 PolarHBondContact O-N 2.82Å; V30-N34 PolarHBondContact O-N 3.18Å; V30-N34 VanDerWaalsContact O-N 3.15Å; V30-L35 HydrophobicContact CG2-CD1 4.29Å; V30-L35 PolarHBondContact O-N 3.26Å
31	R	82.4	Confident	87.4	Confident	171 Å²	171	76.3 Å²	76.3	65%	0.645	43%	0.43	S	S	*	.	H	α-helix	trans	-70	-47.8	176.1	-73	-83.3	-88.2	-175.9	-6.1	111.9	Y27 V28 I29 L33 N34	Y27-R31 HydrophobicContact CD1-CG 4.2Å; Y27-R31 HydrophobicContact CD2-CG 4.47Å; Y27-R31 HydrophobicContact CE1-CG 3.79Å; Y27-R31 HydrophobicContact CE2-CG 4.09Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 VanDerWaalsContact O-CG 3.23Å; Y27-R31 WeakPolarHBondContact O-CG 3.12Å; Y27-R31 PolarHBondContact O-N 3.33Å; Y27-R31 PolarHBondContact OH-NE 3.49Å; V28-R31 PolarHBondContact O-N 2.9Å; I29-R31 PolarHBondContact O-N 3.26Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.7Å; R31-N34 PolarHBondContact O-N 3.11Å; R31-N34 VanDerWaalsContact O-N 3.13Å
32	C	82.4	Confident	87.8	Confident	78 Å²	78	74.2 Å²	74.2	53%	0.527	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-36.5	178.8	-72.1	0	0	0	0	112.8	V28 I29 N34 S75	V28-C32 WeakPolarHBondContact O-CB 3.23Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 2.92Å; I29-C32 PolarHBondContact O-N 3.04Å; C32-N34 VanDerWaalsContact C-N 3.29Å; C32-S75 WeakPolarHBondContact O-CB 3.25Å; C32-S75 PolarHBondContact O-OG 3.11Å
33	L	84.2	Confident	88.3	Confident	30 Å²	30	74.9 Å²	74.9	16%	0.157	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.1	176.6	-66.5	-178	0	0	0	113.1	I29 R31 L35 I71 W72 I78	I29-L33 HydrophobicContact CG2-CD1 3.5Å; I29-L33 VanDerWaalsContact CG2-CD1 3.5Å; I29-L33 HydrophobicContact CG2-CG 4.05Å; I29-L33 VanDerWaalsContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.05Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.7Å; L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CB-CD2 3.92Å; L33-L35 HydrophobicContact CB-CG 3.72Å; L33-L35 HydrophobicContact CD1-CD1 4.21Å; L33-L35 HydrophobicContact CD1-CD2 4.41Å; L33-L35 HydrophobicContact CD1-CG 4.39Å; L33-L35 PolarHBondContact O-N 3.14Å; L33-L35 VanDerWaalsContact O-N 3.17Å; L33-I71 WeakPolarHBondContact CB-O 3.42Å; L33-I71 HydrophobicContact CD1-CG2 4.19Å; L33-I71 WeakPolarHBondContact CD1-O 3.41Å; L33-I71 WeakPolarHBondContact CD2-O 3.41Å; L33-W72 HydrophobicContact CD2-CB 4.14Å; L33-I78 HydrophobicContact CD2-CD1 3.53Å
34	N	85.2	Confident	88.7	Confident	61 Å²	61	74.5 Å²	74.5	33%	0.326	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.7	-179.1	-162.4	27.4	0	0	0	113.9	V30 R31 C32 K36 S37 K74	V30-N34 PolarHBondContact O-N 3.18Å; V30-N34 VanDerWaalsContact O-N 3.15Å; R31-N34 PolarHBondContact O-N 3.11Å; R31-N34 VanDerWaalsContact O-N 3.13Å; C32-N34 VanDerWaalsContact C-N 3.29Å; N34-K36 PolarHBondContact O-N 2.88Å; N34-S37 WeakPolarHBondContact ND2-CB 3.46Å; N34-S37 WeakPolarHBondContact O-CB 3.41Å; N34-S37 PolarHBondContact O-N 3.17Å; N34-K74 HydrophobicContact CB-CB 4.33Å; N34-K74 VanDerWaalsContact CB-O 3.29Å; N34-K74 WeakPolarHBondContact CB-O 3.5Å; N34-K74 PolarHBondContact ND2-O 2.89Å
35	L	82.8	Confident	89	Confident	63 Å²	63	74.9 Å²	74.9	33%	0.33	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27	-170.6	-65.1	177.9	0	0	0	113.8	V30 L33 S37 L70 I71 K74	V30-L35 HydrophobicContact CG2-CD1 4.29Å; V30-L35 PolarHBondContact O-N 3.26Å; L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CB-CD2 3.92Å; L33-L35 HydrophobicContact CB-CG 3.72Å; L33-L35 HydrophobicContact CD1-CD1 4.21Å; L33-L35 HydrophobicContact CD1-CD2 4.41Å; L33-L35 HydrophobicContact CD1-CG 4.39Å; L33-L35 PolarHBondContact O-N 3.14Å; L33-L35 VanDerWaalsContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-L70 WeakPolarHBondContact CD2-O 3.38Å; L35-I71 WeakPolarHBondContact CD2-O 3.27Å; L35-K74 PolarHBondContact O-NZ 2.96Å
36	K	83.8	Confident	89.5	Confident	182 Å²	182	73.8 Å²	73.8	79%	0.791	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.9	-179.5	-67.4	-171.7	177.3	-173.8	0	113.8	N34	N34-K36 PolarHBondContact O-N 2.88Å
37	S	88	Confident	90.1	Very high	19 Å²	19	71.9 Å²	71.9	13%	0.133	37%	0.369	C	S	.	.	S	Bend	trans	-67.5	136.4	-178.4	-162.2	0	0	0	0	110.5	N34 L35 K74 H373	N34-S37 WeakPolarHBondContact ND2-CB 3.46Å; N34-S37 WeakPolarHBondContact O-CB 3.41Å; N34-S37 PolarHBondContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.32Å; S37-K74 WeakPolarHBondContact O-CD 3.29Å; S37-K74 WeakPolarHBondContact O-CE 3.4Å; S37-K74 PolarHBondContact O-NZ 3.37Å; S37-H373 PolarHBondContact OG-CE1 3.35Å; S37-H373 PolarHBondContact OG-NE2 2.99Å
38	P	91.8	Very high	90.6	Very high	84 Å²	84	70.2 Å²	70.2	55%	0.545	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-68.2	162.8	176.5	30.1	-35.6	0	0	0	110.6	L372 H373	P38-L372 HydrophobicContact CG-CD2 4.06Å; P38-L372 WeakPolarHBondContact O-CD2 3.36Å; P38-H373 PolarHBondContact O-NE2 2.78Å
39	T	91.5	Very high	91.1	Very high	40 Å²	40	67 Å²	67	25%	0.245	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-99.2	149.3	160	43.2	0	0	0	0	107.7	E65 P68	T39-E65 WeakPolarHBondContact CB-OE1 3.31Å; T39-E65 PolarHBondContact OG1-OE1 3.47Å; T39-P68 HydrophobicContact CG2-CG 4.3Å
40	A	94.9	Very high	91.6	Very high	38 Å²	38	65.2 Å²	65.2	31%	0.314	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-156.4	161.5	-176.3	0	0	0	0	0	109.8	Y66	A40-Y66 PolarHBondContact O-N 3.36Å
41	P	96.5	Very high	92.2	Very high	63 Å²	63	63.9 Å²	63.9	41%	0.409	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-54.6	156.4	158.9	-23.7	35.6	0	0	0	111.2	T63	P41-T63 WeakPolarHBondContact CB-O 3.34Å; P41-T63 WeakPolarHBondContact CG-O 3.48Å
42	P	97.6	Very high	92.9	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.052	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.4	144.3	173.4	29.5	-34.7	0	0	0	111.4	L44 L62 V369 P371 W392	P42-L44 HydrophobicContact CB-CD2 4.45Å; P42-L44 HydrophobicContact CG-CD2 4.17Å; P42-L44 PolarHBondContact O-N 2.76Å; P42-L62 VanDerWaalsContact CG-O 3.25Å; P42-L62 WeakPolarHBondContact CG-O 3.46Å; P42-V369 HydrophobicContact CB-CG1 3.66Å; P42-V369 HydrophobicContact CG-CG1 3.95Å; P42-P371 HydrophobicContact CB-CB 4.35Å; P42-P371 HydrophobicContact CB-CG 3.93Å; P42-W392 HydrophobicContact CG-CZ2 4.21Å
43	D	98	Very high	93.7	Very high	98 Å²	98	59.3 Å²	59.3	52%	0.524	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132	167	-70.8	-33.4	0	0	0	108.7	Y45 L370	D43-Y45 HydrophobicContact CB-CE2 4.09Å; D43-L370 HydrophobicContact CB-CB 4.27Å; D43-L370 PolarHBondContact N-O 3.43Å; D43-L370 PolarHBondContact O-N 3.34Å
44	L	98.3	Very high	94.3	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	-178	-58.6	-177.9	0	0	0	110.5	P42 F46 L56 L62 F368 V369	P42-L44 HydrophobicContact CB-CD2 4.45Å; P42-L44 HydrophobicContact CG-CD2 4.17Å; P42-L44 PolarHBondContact O-N 2.76Å; L44-F46 HydrophobicContact CB-CD1 3.81Å; L44-F46 HydrophobicContact CB-CE1 3.65Å; L44-F46 HydrophobicContact CD1-CE1 4.2Å; L44-L56 HydrophobicContact CD1-CD2 3.43Å; L44-L56 VanDerWaalsContact CD1-CD2 3.43Å; L44-L62 HydrophobicContact CD1-CB 4.2Å; L44-L62 WeakPolarHBondContact CD1-O 3.45Å; L44-L62 HydrophobicContact CD2-CD2 4.18Å; L44-F368 WeakPolarHBondContact CA-O 3.32Å; L44-V369 HydrophobicContact CD2-CB 4.18Å; L44-V369 HydrophobicContact CD2-CG1 3.87Å; L44-V369 HydrophobicContact CD2-CG2 3.9Å
45	Y	98.4	Very high	94.9	Very high	63 Å²	63	57 Å²	57	25%	0.247	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.9	172.6	-54.1	-100.5	0	0	0	108.7	D43 K357 S360 F368 L370	D43-Y45 HydrophobicContact CB-CE2 4.09Å; Y45-K357 HydrophobicContact CD1-CG 4.09Å; Y45-K357 HydrophobicContact CD2-CG 4.2Å; Y45-K357 HydrophobicContact CE1-CD 4.03Å; Y45-K357 HydrophobicContact CE1-CG 4.05Å; Y45-K357 HydrophobicContact CE2-CD 4.33Å; Y45-K357 HydrophobicContact CE2-CG 4.12Å; Y45-K357 HydrophobicContact CG-CG 4.18Å; Y45-K357 VanDerWaalsContact OH-CE 3.32Å; Y45-K357 WeakPolarHBondContact OH-CE 3.32Å; Y45-K357 PolarHBondContact OH-NZ 2.86Å; Y45-S360 VanDerWaalsContact CB-OG 3.26Å; Y45-S360 WeakPolarHBondContact CB-OG 3.45Å; Y45-S360 VanDerWaalsContact O-CB 3.22Å; Y45-S360 WeakPolarHBondContact O-CB 3.5Å; Y45-S360 PolarHBondContact O-OG 3.02Å; Y45-F368 AromaticContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CD1 3.43Å; Y45-F368 VanDerWaalsContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CE1 4.01Å; Y45-F368 HydrophobicContact CD2-CG 4.33Å; Y45-F368 AromaticContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CE1 4.09Å; Y45-F368 HydrophobicContact CG-CD1 4.1Å; Y45-F368 PolarHBondContact N-O 3.41Å; Y45-F368 PolarHBondContact O-N 2.87Å; Y45-L370 HydrophobicContact CE2-CB 4.35Å; Y45-L370 HydrophobicContact CE2-CD2 4.19Å
46	F	98	Very high	95.6	Very high	63 Å²	63	56.4 Å²	56.4	28%	0.276	30%	0.298	S	S	.	.			trans	-165.7	162.4	-178	59.3	-84.5	0	0	0	109.5	L44 S52 L56 M367	L44-F46 HydrophobicContact CB-CD1 3.81Å; L44-F46 HydrophobicContact CB-CE1 3.65Å; L44-F46 HydrophobicContact CD1-CE1 4.2Å; F46-S52 VanDerWaalsContact CD2-CB 3.43Å; F46-L56 HydrophobicContact CE2-CD1 4.22Å; F46-L56 HydrophobicContact CZ-CD1 3.78Å; F46-M367 HydrophobicContact CB-CB 4.39Å; F46-M367 HydrophobicContact CB-CE 4.39Å; F46-M367 HydrophobicContact CB-CG 4.29Å; F46-M367 HydrophobicContact CD1-CE 4.33Å; F46-M367 HydrophobicContact CG-CE 4.23Å
47	Q	97.7	Very high	96.2	Very high	58 Å²	58	56.3 Å²	56.3	27%	0.271	30%	0.298	S	S	.	.			trans	-87.1	138.3	164.7	-64.7	-172.6	0.6	0	0	110.7	S49 S52 E361 E364	Q47-S49 PolarHBondContact O-N 3.32Å; Q47-S52 PolarHBondContact O-OG 2.89Å; Q47-E361 PolarHBondContact NE2-O 3.06Å; Q47-E364 HydrophobicContact CB-CG 4.15Å
48	D	96.9	Very high	96.6	Very high	100 Å²	100	57.1 Å²	57.1	54%	0.535	30%	0.303	S	S	.	.			trans	-62.2	120.8	173.8	-178.3	42.3	0	0	0	110.1	R53	D48-R53 WeakPolarHBondContact OD1-CG 3.35Å; D48-R53 IonicContact OD1-CZ 3.58Å; D48-R53 IonicContact OD1-NE 2.8Å; D48-R53 PolarHBondContact OD1-NE 3.31Å; D48-R53 IonicContact OD1-NH2 3.57Å; D48-R53 IonicContact OD2-CZ 3.44Å; D48-R53 IonicContact OD2-NE 3.4Å; D48-R53 PolarHBondContact OD2-NE 3.34Å; D48-R53 IonicContact OD2-NH2 2.67Å; D48-R53 PolarHBondContact OD2-NH2 3.22Å
49	S	96.1	Very high	96.9	Very high	14 Å²	14	53.1 Å²	53.1	10%	0.098	28%	0.277	C	S	.	.			trans	-153.4	165.9	-174.3	73.4	0	0	0	0	109.6	Q47 L51 S52 R53	Q47-S49 PolarHBondContact O-N 3.32Å; S49-L51 PolarHBondContact O-N 3.19Å; S49-S52 PolarHBondContact N-OG 3.37Å; S49-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-OG 2.86Å; S49-S52 PolarHBondContact OG-N 2.9Å; S49-S52 VanDerWaalsContact OG-N 3.12Å; S49-S52 PolarHBondContact OG-OG 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 3.04Å
50	G	96	Very high	97.1	Very high	42 Å²	42	54.3 Å²	54.3	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-56.4	-40.2	175	0	0	0	0	0	112.2	F54	G50-F54 WeakPolarHBondContact O-CB 2.92Å; G50-F54 PolarHBondContact O-N 2.77Å; G50-F54 VanDerWaalsContact O-N 3.09Å
51	L	96.5	Very high	97.2	Very high	22 Å²	22	53.3 Å²	53.3	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-49.1	176.8	174.6	61	0	0	0	111.8	S49 R53 F54 L55 P336 I404 W407	S49-L51 PolarHBondContact O-N 3.19Å; L51-R53 PolarHBondContact O-N 3.19Å; L51-F54 PolarHBondContact O-N 3.1Å; L51-L55 HydrophobicContact CD1-CD1 3.89Å; L51-L55 HydrophobicContact CD1-CG 3.99Å; L51-L55 HydrophobicContact CG-CD1 3.87Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.1Å; L51-P336 HydrophobicContact CD2-CB 4.12Å; L51-P336 HydrophobicContact CD2-CG 3.96Å; L51-I404 HydrophobicContact CD1-CD1 3.8Å; L51-W407 HydrophobicContact CB-CZ2 4.28Å; L51-W407 HydrophobicContact CD1-CD2 4.15Å; L51-W407 HydrophobicContact CD1-CG 3.97Å
52	S	97.1	Very high	97.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-40.1	-177	59.5	0	0	0	0	112.1	F46 Q47 S49 F54 L55 L56	F46-S52 VanDerWaalsContact CD2-CB 3.43Å; Q47-S52 PolarHBondContact O-OG 2.89Å; S49-S52 PolarHBondContact N-OG 3.37Å; S49-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-OG 2.86Å; S49-S52 PolarHBondContact OG-N 2.9Å; S49-S52 VanDerWaalsContact OG-N 3.12Å; S49-S52 PolarHBondContact OG-OG 3.28Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.41Å; S52-L55 PolarHBondContact O-N 3.09Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.34Å
53	R	97.6	Very high	97.3	Very high	150 Å²	150	53.7 Å²	53.7	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-61.8	-40.1	173.1	-65	178.8	-160	151.5	1.8	112.4	D48 S49 L51 K57	D48-R53 WeakPolarHBondContact OD1-CG 3.35Å; D48-R53 IonicContact OD1-CZ 3.58Å; D48-R53 IonicContact OD1-NE 2.8Å; D48-R53 PolarHBondContact OD1-NE 3.31Å; D48-R53 IonicContact OD1-NH2 3.57Å; D48-R53 IonicContact OD2-CZ 3.44Å; D48-R53 IonicContact OD2-NE 3.4Å; D48-R53 PolarHBondContact OD2-NE 3.34Å; D48-R53 IonicContact OD2-NH2 2.67Å; D48-R53 PolarHBondContact OD2-NH2 3.22Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 3.04Å; L51-R53 PolarHBondContact O-N 3.19Å; R53-K57 PolarHBondContact O-N 3.3Å
54	F	97.6	Very high	97.2	Very high	39 Å²	39	55.4 Å²	55.4	17%	0.171	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-47.3	175.1	-179.7	-88.2	0	0	0	111.3	G50 L51 S52 L56 K57 S58 A403 Q406 W407	G50-F54 WeakPolarHBondContact O-CB 2.92Å; G50-F54 PolarHBondContact O-N 2.77Å; G50-F54 VanDerWaalsContact O-N 3.09Å; L51-F54 PolarHBondContact O-N 3.1Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.41Å; F54-L56 PolarHBondContact O-N 3.4Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; F54-S58 VanDerWaalsContact CE1-OG 3.3Å; F54-S58 WeakPolarHBondContact CE1-OG 3.24Å; F54-S58 VanDerWaalsContact CZ-OG 3.24Å; F54-S58 WeakPolarHBondContact CZ-OG 3.14Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 3.42Å; F54-S58 PolarHBondContact O-OG 3.5Å; F54-A403 HydrophobicContact CE1-CB 4.31Å; F54-A403 VanDerWaalsContact CE1-O 3.25Å; F54-A403 WeakPolarHBondContact CE1-O 3.5Å; F54-Q406 HydrophobicContact CZ-CB 4.12Å; F54-W407 HydrophobicContact CB-CE3 3.63Å; F54-W407 HydrophobicContact CB-CZ3 3.76Å; F54-W407 HydrophobicContact CD1-CB 3.96Å; F54-W407 HydrophobicContact CD1-CD2 4.45Å; F54-W407 AromaticContact CD1-CE3 3.93Å; F54-W407 HydrophobicContact CD1-CE3 3.93Å; F54-W407 AromaticContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CZ3 4.17Å; F54-W407 HydrophobicContact CE1-CB 3.85Å; F54-W407 HydrophobicContact CE2-CE3 4.37Å; F54-W407 HydrophobicContact CG-CD2 4.38Å; F54-W407 AromaticContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CE3 3.46Å; F54-W407 VanDerWaalsContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CZ3 4.03Å; F54-W407 HydrophobicContact CZ-CB 4.38Å
55	L	98	Very high	97	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-43.3	179.3	-72.1	169.2	0	0	0	112.5	L51 S52 K57 S58 C59 L62 M367 Y400 A403 I404	L51-L55 HydrophobicContact CD1-CD1 3.89Å; L51-L55 HydrophobicContact CD1-CG 3.99Å; L51-L55 HydrophobicContact CG-CD1 3.87Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.1Å; S52-L55 PolarHBondContact O-N 3.09Å; L55-K57 PolarHBondContact O-N 3Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-C59 WeakPolarHBondContact O-CA 3.4Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.26Å; L55-L62 HydrophobicContact CB-CD1 4.2Å; L55-M367 HydrophobicContact CB-CE 4.23Å; L55-M367 HydrophobicContact CD1-CE 3.99Å; L55-Y400 HydrophobicContact CD1-CE2 3.7Å; L55-Y400 HydrophobicContact CD2-CD2 3.84Å; L55-Y400 HydrophobicContact CD2-CE2 3.71Å; L55-Y400 HydrophobicContact CG-CE2 4.32Å; L55-A403 HydrophobicContact CD2-CB 3.96Å; L55-I404 HydrophobicContact CD1-CD1 4.44Å; L55-I404 HydrophobicContact CD2-CD1 3.87Å; L55-I404 HydrophobicContact CD2-CG1 4.28Å
56	L	97.6	Very high	96.8	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-29.3	177.2	-69.3	172.8	0	0	0	113.2	L44 F46 S52 F54 L62 T63	L44-L56 HydrophobicContact CD1-CD2 3.43Å; L44-L56 VanDerWaalsContact CD1-CD2 3.43Å; F46-L56 HydrophobicContact CE2-CD1 4.22Å; F46-L56 HydrophobicContact CZ-CD1 3.78Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.34Å; F54-L56 PolarHBondContact O-N 3.4Å; L56-L62 HydrophobicContact CD2-CB 4.41Å; L56-T63 HydrophobicContact CD2-CG2 3.81Å
57	K	97	Very high	96.5	Very high	179 Å²	179	55 Å²	55	78%	0.778	28%	0.281	S	S	*	.	H	α-helix	trans	-83.1	-40.2	177	-174.2	-178.8	177.7	-175.5	0	112.2	R53 F54 L55	R53-K57 PolarHBondContact O-N 3.3Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; L55-K57 PolarHBondContact O-N 3Å
58	S	96.8	Very high	96.2	Very high	36 Å²	36	52.3 Å²	52.3	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-93.2	-14.4	-170.7	-58.2	0	0	0	0	113.8	F54 L55 P60	F54-S58 VanDerWaalsContact CE1-OG 3.3Å; F54-S58 WeakPolarHBondContact CE1-OG 3.24Å; F54-S58 VanDerWaalsContact CZ-OG 3.24Å; F54-S58 WeakPolarHBondContact CZ-OG 3.14Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 3.42Å; F54-S58 PolarHBondContact O-OG 3.5Å; L55-S58 PolarHBondContact O-N 2.89Å; S58-P60 WeakPolarHBondContact O-CD 3.42Å
59	C	97	Very high	95.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.			trans	-122.3	79.6	176.2	-172.6	0	0	0	0	110.9	L55 L61 L62 E399	L55-C59 WeakPolarHBondContact O-CA 3.4Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.26Å; C59-L61 PolarHBondContact O-N 3.05Å; C59-L61 VanDerWaalsContact O-N 3.08Å; C59-L62 HydrophobicContact CB-CD1 3.85Å; C59-L62 HydrophobicContact CB-CG 4.1Å; C59-L62 WeakPolarHBondContact O-CB 3.44Å; C59-L62 PolarHBondContact O-N 2.87Å; C59-E399 WeakPolarHBondContact CA-OE1 3.43Å; C59-E399 HydrophobicContact CB-CG 4.25Å; C59-E399 PolarHBondContact SG-OE1 3.08Å
60	P	96.8	Very high	95.4	Very high	66 Å²	66	51.1 Å²	51.1	43%	0.429	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-49	-30.3	177.4	-30.2	34.7	0	0	0	115.8	S58 L62 T63 K64 E399	S58-P60 WeakPolarHBondContact O-CD 3.42Å; P60-L62 PolarHBondContact O-N 3.04Å; P60-L62 VanDerWaalsContact O-N 3.16Å; P60-T63 PolarHBondContact O-N 3.3Å; P60-T63 PolarHBondContact O-OG1 3.38Å; P60-K64 VanDerWaalsContact O-CB 3.23Å; P60-K64 WeakPolarHBondContact O-CB 3.19Å; P60-K64 PolarHBondContact O-N 3.29Å; P60-E399 WeakPolarHBondContact CD-OE1 3.33Å
61	L	96.8	Very high	94.9	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.089	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.9	-16.2	179.2	-70	177.6	0	0	0	113.9	C59 T63 K395 L396 E399	C59-L61 PolarHBondContact O-N 3.05Å; C59-L61 VanDerWaalsContact O-N 3.08Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-K395 HydrophobicContact CD1-CB 3.58Å; L61-L396 HydrophobicContact CB-CD1 3.94Å; L61-L396 HydrophobicContact CD1-CB 4.3Å; L61-E399 WeakPolarHBondContact CD1-OE2 3.4Å; L61-E399 WeakPolarHBondContact CG-OE2 3.47Å; L61-E399 PolarHBondContact N-OE1 3.45Å
62	L	97.7	Very high	94.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-72.6	-25.5	172.2	-65.6	175	0	0	0	113	P42 L44 L55 L56 C59 P60 M338 M367 V369 L396	P42-L62 VanDerWaalsContact CG-O 3.25Å; P42-L62 WeakPolarHBondContact CG-O 3.46Å; L44-L62 HydrophobicContact CD1-CB 4.2Å; L44-L62 WeakPolarHBondContact CD1-O 3.45Å; L44-L62 HydrophobicContact CD2-CD2 4.18Å; L55-L62 HydrophobicContact CB-CD1 4.2Å; L56-L62 HydrophobicContact CD2-CB 4.41Å; C59-L62 HydrophobicContact CB-CD1 3.85Å; C59-L62 HydrophobicContact CB-CG 4.1Å; C59-L62 WeakPolarHBondContact O-CB 3.44Å; C59-L62 PolarHBondContact O-N 2.87Å; P60-L62 PolarHBondContact O-N 3.04Å; P60-L62 VanDerWaalsContact O-N 3.16Å; L62-M338 HydrophobicContact CD2-SD 4.26Å; L62-M367 HydrophobicContact CD1-CE 4.43Å; L62-M367 HydrophobicContact CD1-SD 3.81Å; L62-M367 HydrophobicContact CD2-SD 4.05Å; L62-V369 HydrophobicContact CD2-CG1 4.29Å; L62-V369 HydrophobicContact CD2-CG2 3.69Å; L62-L396 HydrophobicContact CD2-CD1 3.85Å; L62-L396 HydrophobicContact CG-CD1 4.29Å
63	T	96.9	Very high	94	Very high	78 Å²	78	52.4 Å²	52.4	48%	0.479	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-16.8	-173.8	57	0	0	0	0	113	P41 L56 P60 L61	P41-T63 WeakPolarHBondContact CB-O 3.34Å; P41-T63 WeakPolarHBondContact CG-O 3.48Å; L56-T63 HydrophobicContact CD2-CG2 3.81Å; P60-T63 PolarHBondContact O-N 3.3Å; P60-T63 PolarHBondContact O-OG1 3.38Å; L61-T63 VanDerWaalsContact C-N 3.33Å
64	K	95.9	Very high	93.6	Very high	133 Å²	133	46.6 Å²	46.6	58%	0.578	23%	0.233	S	C	*	.	S	Bend	trans	-77.3	144.5	175.5	-171	175	179	179.8	0	110.9	P60 Y66	P60-K64 VanDerWaalsContact O-CB 3.23Å; P60-K64 WeakPolarHBondContact O-CB 3.19Å; P60-K64 PolarHBondContact O-N 3.29Å; K64-Y66 PolarHBondContact O-N 3.45Å
65	E	94.3	Very high	93.3	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-57.4	127.8	171.8	-176.1	174.7	-160.5	0	0	112	T39 I67	T39-E65 WeakPolarHBondContact CB-OE1 3.31Å; T39-E65 PolarHBondContact OG1-OE1 3.47Å; E65-I67 HydrophobicContact CG-CG1 4.06Å
66	Y	93.9	Very high	92.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-81.5	122.9	168.7	166.8	-121.4	0	0	0	109.7	A40 K64 P68 Q79 P371 H373 F379 F380 E381 W392	A40-Y66 PolarHBondContact O-N 3.36Å; K64-Y66 PolarHBondContact O-N 3.45Å; Y66-P68 HydrophobicContact CE1-CB 3.98Å; Y66-P68 HydrophobicContact CE1-CG 4.14Å; Y66-P68 VanDerWaalsContact O-CD 3.31Å; Y66-P68 WeakPolarHBondContact O-CD 3.47Å; Y66-Q79 PolarHBondContact OH-NE2 2.64Å; Y66-P371 HydrophobicContact CD1-CB 4.36Å; Y66-H373 HydrophobicContact CD1-CB 4.23Å; Y66-H373 HydrophobicContact CE1-CB 3.76Å; Y66-H373 WeakPolarHBondContact CE1-O 3.37Å; Y66-F379 VanDerWaalsContact OH-CA 3.28Å; Y66-F379 WeakPolarHBondContact OH-CA 3.44Å; Y66-F380 PolarHBondContact OH-N 3.25Å; Y66-F380 PolarHBondContact OH-O 2.82Å; Y66-E381 HydrophobicContact CD2-CG 4.17Å; Y66-E381 HydrophobicContact CE2-CG 3.75Å; Y66-W392 HydrophobicContact CD2-CB 3.58Å; Y66-W392 AromaticContact CD2-CD1 3.63Å; Y66-W392 HydrophobicContact CD2-CD2 4.18Å; Y66-W392 AromaticContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CE2-CB 3.53Å; Y66-W392 AromaticContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CG-CG 4.27Å
67	I	92.3	Very high	92.4	Very high	82 Å²	82	45.2 Å²	45.2	42%	0.421	23%	0.229	S	C	.	.			trans	-114.1	95.9	-176.4	-55.4	174.7	0	0	0	109.3	E65	E65-I67 HydrophobicContact CG-CG1 4.06Å
68	P	92	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.			trans	-76.4	164	172.1	33.1	-36.1	0	0	0	111.8	T39 Y66 L70 G73 K74 H373 F380	T39-P68 HydrophobicContact CG2-CG 4.3Å; Y66-P68 HydrophobicContact CE1-CB 3.98Å; Y66-P68 HydrophobicContact CE1-CG 4.14Å; Y66-P68 VanDerWaalsContact O-CD 3.31Å; Y66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-L70 PolarHBondContact O-N 3.47Å; P68-G73 WeakPolarHBondContact CB-O 3.44Å; P68-K74 HydrophobicContact CG-CG 4.05Å; P68-H373 HydrophobicContact CG-CB 4.25Å; P68-F380 WeakPolarHBondContact CA-O 3.25Å
69	P	89.7	Confident	91.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.			trans	-50.5	128.2	174.1	-31.6	36.6	0	0	0	113.1	I71 W72 G73 F380 S383 P387	P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.34Å; P69-W72 HydrophobicContact CB-CD2 4.19Å; P69-W72 HydrophobicContact CB-CH2 4.18Å; P69-W72 HydrophobicContact CB-CZ2 3.69Å; P69-W72 HydrophobicContact CG-CH2 3.71Å; P69-W72 HydrophobicContact CG-CZ2 3.59Å; P69-W72 HydrophobicContact CG-CZ3 4.34Å; P69-W72 PolarHBondContact O-N 2.92Å; P69-G73 VanDerWaalsContact O-CA 3.27Å; P69-G73 WeakPolarHBondContact O-CA 3.5Å; P69-G73 PolarHBondContact O-N 3.12Å; P69-F380 WeakPolarHBondContact CD-O 3.44Å; P69-F380 HydrophobicContact CG-CB 4.41Å; P69-S383 WeakPolarHBondContact CA-O 3.29Å; P69-P387 HydrophobicContact CG-CB 4.41Å
70	L	85.9	Confident	91.2	Very high	89 Å²	89	38 Å²	38	47%	0.466	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.1	-164.7	-65.7	179.7	0	0	0	114.5	L35 P68 V384	L35-L70 WeakPolarHBondContact CD2-O 3.38Å; P68-L70 PolarHBondContact O-N 3.47Å; L70-V384 HydrophobicContact CB-CG1 4.42Å; L70-V384 HydrophobicContact CD1-CG2 4.15Å
71	I	85.6	Confident	90.5	Very high	66 Å²	66	37.3 Å²	37.3	34%	0.338	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-32	-172.2	-71.4	177.9	0	0	0	112.6	L33 L35 P69 V384 L385	L33-I71 WeakPolarHBondContact CB-O 3.42Å; L33-I71 HydrophobicContact CD1-CG2 4.19Å; L33-I71 WeakPolarHBondContact CD1-O 3.41Å; L33-I71 WeakPolarHBondContact CD2-O 3.41Å; L35-I71 WeakPolarHBondContact CD2-O 3.27Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.34Å; I71-V384 HydrophobicContact CD1-CG1 3.62Å; I71-V384 HydrophobicContact CG1-CG1 3.87Å; I71-V384 PolarHBondContact N-O 3.2Å; I71-L385 HydrophobicContact CB-CD2 4.23Å; I71-L385 HydrophobicContact CD1-CD2 3.53Å; I71-L385 HydrophobicContact CD1-CG 3.93Å; I71-L385 HydrophobicContact CG1-CD2 4.39Å; I71-L385 HydrophobicContact CG2-CD2 4.33Å
72	W	86.9	Confident	89.8	Confident	29 Å²	29	38.4 Å²	38.4	11%	0.11	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-15.6	-169.6	58.1	-99.9	0	0	0	114.2	L33 P69 K74 S75 I78 L82 F380 L385 P387	L33-W72 HydrophobicContact CD2-CB 4.14Å; P69-W72 HydrophobicContact CB-CD2 4.19Å; P69-W72 HydrophobicContact CB-CH2 4.18Å; P69-W72 HydrophobicContact CB-CZ2 3.69Å; P69-W72 HydrophobicContact CG-CH2 3.71Å; P69-W72 HydrophobicContact CG-CZ2 3.59Å; P69-W72 HydrophobicContact CG-CZ3 4.34Å; P69-W72 PolarHBondContact O-N 2.92Å; W72-K74 PolarHBondContact O-N 3.11Å; W72-S75 WeakPolarHBondContact O-CB 3.3Å; W72-S75 PolarHBondContact O-N 3.19Å; W72-S75 VanDerWaalsContact O-N 3.16Å; W72-I78 HydrophobicContact CB-CD1 4.04Å; W72-I78 HydrophobicContact CB-CG2 4.08Å; W72-I78 HydrophobicContact CD2-CG2 4.28Å; W72-I78 HydrophobicContact CE3-CG2 3.79Å; W72-I78 HydrophobicContact CG-CG2 4.43Å; W72-L82 HydrophobicContact CE3-CD2 4.29Å; W72-L82 HydrophobicContact CH2-CD2 3.29Å; W72-L82 HydrophobicContact CZ2-CD2 3.84Å; W72-L82 HydrophobicContact CZ3-CD2 3.55Å; W72-F380 HydrophobicContact CH2-CB 3.94Å; W72-F380 HydrophobicContact CH2-CD2 4.04Å; W72-F380 HydrophobicContact CH2-CG 4.07Å; W72-F380 HydrophobicContact CZ3-CB 4.31Å; W72-F380 HydrophobicContact CZ3-CD2 4.01Å; W72-F380 HydrophobicContact CZ3-CG 4.43Å; W72-L385 PolarHBondContact NE1-O 2.79Å; W72-P387 HydrophobicContact CH2-CB 4.05Å; W72-P387 HydrophobicContact CH2-CG 3.96Å; W72-P387 HydrophobicContact CZ2-CB 4.12Å; W72-P387 HydrophobicContact CZ2-CG 3.83Å
73	G	87.2	Confident	89.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.4	-173.2	0	0	0	0	0	114.4	P68 P69 S75 Q79	P68-G73 WeakPolarHBondContact CB-O 3.44Å; P69-G73 VanDerWaalsContact O-CA 3.27Å; P69-G73 WeakPolarHBondContact O-CA 3.5Å; P69-G73 PolarHBondContact O-N 3.12Å; G73-S75 VanDerWaalsContact C-N 3.27Å; G73-Q79 WeakPolarHBondContact O-CG 3.46Å; G73-Q79 PolarHBondContact O-NE2 3.35Å
74	K	90.1	Very high	88.2	Confident	27 Å²	27	39 Å²	39	12%	0.117	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.5	172.8	-62	178.2	178.1	-171.9	0	113.6	N34 L35 S37 P68 W72 H373	N34-K74 HydrophobicContact CB-CB 4.33Å; N34-K74 VanDerWaalsContact CB-O 3.29Å; N34-K74 WeakPolarHBondContact CB-O 3.5Å; N34-K74 PolarHBondContact ND2-O 2.89Å; L35-K74 PolarHBondContact O-NZ 2.96Å; S37-K74 WeakPolarHBondContact O-CD 3.29Å; S37-K74 WeakPolarHBondContact O-CE 3.4Å; S37-K74 PolarHBondContact O-NZ 3.37Å; P68-K74 HydrophobicContact CG-CG 4.05Å; W72-K74 PolarHBondContact O-N 3.11Å; K74-H373 PolarHBondContact O-ND1 2.81Å
75	S	90.4	Very high	87.2	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.063	23%	0.225	C	C	.	.			trans	-104.7	107.8	177.1	-176.9	0	0	0	0	109.9	C32 W72 G73 H77 I78 Q79	C32-S75 WeakPolarHBondContact O-CB 3.25Å; C32-S75 PolarHBondContact O-OG 3.11Å; W72-S75 WeakPolarHBondContact O-CB 3.3Å; W72-S75 PolarHBondContact O-N 3.19Å; W72-S75 VanDerWaalsContact O-N 3.16Å; G73-S75 VanDerWaalsContact C-N 3.27Å; S75-H77 PolarHBondContact O-N 3.19Å; S75-I78 PolarHBondContact O-N 3.14Å; S75-Q79 PolarHBondContact O-N 2.82Å
76	G	88.1	Confident	86.2	Confident	6 Å²	6	42.1 Å²	42.1	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-32	177.6	0	0	0	0	0	113.5	T80 D344	G76-T80 VanDerWaalsContact O-CB 3.26Å; G76-T80 WeakPolarHBondContact O-CB 3.34Å; G76-T80 PolarHBondContact O-N 3Å; G76-T80 PolarHBondContact O-OG1 2.94Å; G76-D344 WeakPolarHBondContact CA-OD2 3.48Å; G76-D344 PolarHBondContact N-OD2 3.24Å
77	H	89.1	Confident	85.5	Confident	50 Å²	50	42.7 Å²	42.7	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-46.2	172.3	-72.4	-47.3	0	0	0	112.9	S75 T80 A81 Q251 Y256 P346	S75-H77 PolarHBondContact O-N 3.19Å; H77-T80 PolarHBondContact O-N 2.68Å; H77-A81 VanDerWaalsContact O-CB 3.25Å; H77-A81 WeakPolarHBondContact O-CB 3.24Å; H77-A81 PolarHBondContact O-N 2.62Å; H77-Q251 VanDerWaalsContact CE1-C 3.47Å; H77-Q251 PolarHBondContact CE1-O 3.1Å; H77-Q251 PolarHBondContact NE2-OE1 2.72Å; H77-Q251 VanDerWaalsContact NE2-OE1 3.16Å; H77-Y256 AromaticContact ND1-CE2 3.56Å; H77-Y256 AromaticContact ND1-CZ 3.82Å; H77-Y256 PolarHBondContact ND1-OH 2.79Å; H77-Y256 VanDerWaalsContact ND1-OH 3.16Å; H77-Y256 PolarHBondContact O-OH 2.81Å; H77-P346 VanDerWaalsContact CE1-CB 3.47Å; H77-P346 WeakPolarHBondContact CE1-CB 3.5Å
78	I	86.5	Confident	85.1	Confident	53 Å²	53	38.9 Å²	38.9	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-70.6	-44	-178.8	-59	174.8	0	0	0	109.9	L33 W72 S75 T80 A81 L82	L33-I78 HydrophobicContact CD2-CD1 3.53Å; W72-I78 HydrophobicContact CB-CD1 4.04Å; W72-I78 HydrophobicContact CB-CG2 4.08Å; W72-I78 HydrophobicContact CD2-CG2 4.28Å; W72-I78 HydrophobicContact CE3-CG2 3.79Å; W72-I78 HydrophobicContact CG-CG2 4.43Å; S75-I78 PolarHBondContact O-N 3.14Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.18Å; I78-A81 PolarHBondContact O-N 3.02Å; I78-L82 WeakPolarHBondContact O-CB 3.15Å; I78-L82 PolarHBondContact O-N 3.43Å
79	Q	89.9	Confident	84.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-51.2	-51.3	172.1	-75.2	-92.9	5	0	0	111	Y66 G73 S75 Y83 G378 F379	Y66-Q79 PolarHBondContact OH-NE2 2.64Å; G73-Q79 WeakPolarHBondContact O-CG 3.46Å; G73-Q79 PolarHBondContact O-NE2 3.35Å; S75-Q79 PolarHBondContact O-N 2.82Å; Q79-Y83 VanDerWaalsContact O-CB 3.28Å; Q79-Y83 WeakPolarHBondContact O-CB 3.19Å; Q79-Y83 PolarHBondContact O-N 3.33Å; Q79-G378 VanDerWaalsContact OE1-C 3.24Å; Q79-F379 VanDerWaalsContact OE1-N 3.1Å
80	T	88.3	Confident	84.2	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-45.4	-179.4	-56	0	0	0	0	112.6	G76 H77 I78 G84 Y256 P346 H376	G76-T80 VanDerWaalsContact O-CB 3.26Å; G76-T80 WeakPolarHBondContact O-CB 3.34Å; G76-T80 PolarHBondContact O-N 3Å; G76-T80 PolarHBondContact O-OG1 2.94Å; H77-T80 PolarHBondContact O-N 2.68Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.18Å; T80-G84 PolarHBondContact O-N 3.32Å; T80-Y256 HydrophobicContact CG2-CD1 4.46Å; T80-Y256 HydrophobicContact CG2-CE1 3.81Å; T80-P346 HydrophobicContact CG2-CG 4.04Å; T80-P346 VanDerWaalsContact OG1-CD 3.27Å; T80-P346 WeakPolarHBondContact OG1-CD 3.47Å; T80-P346 VanDerWaalsContact OG1-CG 3.26Å; T80-P346 WeakPolarHBondContact OG1-CG 3.27Å; T80-H376 HydrophobicContact CG2-CB 3.81Å; T80-H376 PolarHBondContact OG1-N 3.38Å
81	A	83.7	Confident	84.2	Confident	52 Å²	52	48.1 Å²	48.1	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-40.2	-178.6	0	0	0	0	0	111.9	H77 I78 G84 K85	H77-A81 VanDerWaalsContact O-CB 3.25Å; H77-A81 WeakPolarHBondContact O-CB 3.24Å; H77-A81 PolarHBondContact O-N 2.62Å; I78-A81 PolarHBondContact O-N 3.02Å; A81-G84 PolarHBondContact O-N 2.61Å; A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.19Å
82	L	82	Confident	84.5	Confident	41 Å²	41	46.6 Å²	46.6	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-44.1	176.4	-168.9	69.2	0	0	0	110.4	W72 I78 K85 M86 F380	W72-L82 HydrophobicContact CE3-CD2 4.29Å; W72-L82 HydrophobicContact CH2-CD2 3.29Å; W72-L82 HydrophobicContact CZ2-CD2 3.84Å; W72-L82 HydrophobicContact CZ3-CD2 3.55Å; I78-L82 WeakPolarHBondContact O-CB 3.15Å; I78-L82 PolarHBondContact O-N 3.43Å; L82-K85 PolarHBondContact O-N 3.22Å; L82-M86 HydrophobicContact CD1-CB 4.46Å; L82-M86 HydrophobicContact CD1-CG 4.12Å; L82-M86 HydrophobicContact CD1-SD 3.37Å; L82-M86 WeakPolarHBondContact CD1-SD 3.23Å; L82-M86 HydrophobicContact CG-SD 4.33Å; L82-M86 WeakPolarHBondContact O-CA 3.47Å; L82-M86 WeakPolarHBondContact O-CB 3.08Å; L82-M86 PolarHBondContact O-N 2.94Å; L82-F380 HydrophobicContact CB-CE2 4.18Å; L82-F380 HydrophobicContact CD2-CD2 4.28Å; L82-F380 HydrophobicContact CD2-CE2 4.07Å; L82-F380 HydrophobicContact CD2-CZ 4.45Å; L82-F380 HydrophobicContact CG-CE2 4.27Å; L82-F380 HydrophobicContact CG-CZ 4.5Å
83	Y	82.8	Confident	84.7	Confident	28 Å²	28	52.6 Å²	52.6	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-50.5	169.9	163.4	-99.6	0	0	0	111.6	Q79 K85 G87 Y142 L377	Q79-Y83 VanDerWaalsContact O-CB 3.28Å; Q79-Y83 WeakPolarHBondContact O-CB 3.19Å; Q79-Y83 PolarHBondContact O-N 3.33Å; Y83-K85 VanDerWaalsContact C-N 3.29Å; Y83-K85 PolarHBondContact O-N 3.47Å; Y83-G87 WeakPolarHBondContact O-CA 3.35Å; Y83-G87 PolarHBondContact O-N 3.48Å; Y83-Y142 AromaticContact CE2-CD1 3.95Å; Y83-Y142 HydrophobicContact CE2-CD1 3.95Å; Y83-Y142 AromaticContact CE2-CG 3.84Å; Y83-Y142 HydrophobicContact CE2-CG 3.84Å; Y83-Y142 VanDerWaalsContact OH-CD1 3.31Å; Y83-Y142 WeakPolarHBondContact OH-CD1 3.32Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.21Å; Y83-L377 HydrophobicContact CD1-CB 4.21Å; Y83-L377 HydrophobicContact CD2-CB 4.19Å; Y83-L377 HydrophobicContact CE1-CB 3.92Å; Y83-L377 HydrophobicContact CE1-CD1 4.08Å; Y83-L377 HydrophobicContact CE2-CB 3.86Å; Y83-L377 HydrophobicContact CE2-CD1 4.48Å; Y83-L377 HydrophobicContact CG-CB 4.35Å; Y83-L377 VanDerWaalsContact OH-CD1 3.31Å; Y83-L377 WeakPolarHBondContact OH-CD1 3.43Å
84	G	78.2	Confident	85.1	Confident	63 Å²	63	53.7 Å²	53.7	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-62.1	-34.9	-177.7	0	0	0	0	0	113.5	T80 A81	T80-G84 PolarHBondContact O-N 3.32Å; A81-G84 PolarHBondContact O-N 2.61Å
85	K	73.6	Confident	85.3	Confident	187 Å²	187	61 Å²	61	81%	0.813	31%	0.31	S	S	*	.	H	α-helix	trans	-88.2	-45.6	-178.1	-174.7	178.7	-179	-178.5	0	113.4	A81 L82 Y83	A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.19Å; L82-K85 PolarHBondContact O-N 3.22Å; Y83-K85 VanDerWaalsContact C-N 3.29Å; Y83-K85 PolarHBondContact O-N 3.47Å
86	M	75	Confident	85.5	Confident	92 Å²	92	61.8 Å²	61.8	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-108.2	-7	-170.5	-69.4	-176.8	65.1	0	0	113.5	L82 R88 V89 Q141	L82-M86 HydrophobicContact CD1-CB 4.46Å; L82-M86 HydrophobicContact CD1-CG 4.12Å; L82-M86 HydrophobicContact CD1-SD 3.37Å; L82-M86 WeakPolarHBondContact CD1-SD 3.23Å; L82-M86 HydrophobicContact CG-SD 4.33Å; L82-M86 WeakPolarHBondContact O-CA 3.47Å; L82-M86 WeakPolarHBondContact O-CB 3.08Å; L82-M86 PolarHBondContact O-N 2.94Å; M86-R88 PolarHBondContact O-N 2.86Å; M86-V89 HydrophobicContact CE-CG1 4.29Å; M86-Q141 PolarHBondContact O-OE1 2.93Å
87	G	79.1	Confident	86	Confident	13 Å²	13	65.4 Å²	65.4	13%	0.134	34%	0.335	C	S	.	.			trans	57.4	-101.3	-176.5	0	0	0	0	0	112.3	Y83 F380	Y83-G87 WeakPolarHBondContact O-CA 3.35Å; Y83-G87 PolarHBondContact O-N 3.48Å; G87-F380 WeakPolarHBondContact O-CZ 3.46Å
88	R	82.1	Confident	86.4	Confident	3 Å²	3	66.3 Å²	66.3	1%	0.011	34%	0.336	C	S	.	.	S	Bend	trans	-130.2	135.1	176.2	-65.1	-65.3	-173.3	-133.1	3	109.7	M86 Q141 T145 L377 G378 T391 M393 D394	M86-R88 PolarHBondContact O-N 2.86Å; R88-Q141 HydrophobicContact CB-CB 4.49Å; R88-Q141 VanDerWaalsContact N-OE1 3.16Å; R88-Q141 PolarHBondContact O-OE1 3.41Å; R88-T145 HydrophobicContact CB-CG2 4.5Å; R88-T145 WeakPolarHBondContact CB-OG1 3.37Å; R88-T145 HydrophobicContact CG-CG2 4.24Å; R88-L377 PolarHBondContact NH1-O 3.33Å; R88-L377 VanDerWaalsContact NH1-O 3.14Å; R88-L377 PolarHBondContact NH2-O 3.01Å; R88-G378 PolarHBondContact NH1-O 2.97Å; R88-T391 VanDerWaalsContact NH1-CG2 3.31Å; R88-T391 PolarHBondContact NH2-OG1 3.44Å; R88-T391 VanDerWaalsContact NH2-OG1 3.12Å; R88-M393 VanDerWaalsContact NH2-CE 3.3Å; R88-D394 IonicContact NE-OD2 2.73Å; R88-D394 IonicContact NH2-OD1 2.76Å
89	V	79.2	Confident	87	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.255	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	138.8	175.6	-121.9	0	0	0	0	110	M86 S91 P387 P389	M86-V89 HydrophobicContact CE-CG1 4.29Å; V89-S91 PolarHBondContact O-N 3.4Å; V89-P387 HydrophobicContact CG2-CB 4.29Å; V89-P387 HydrophobicContact CG2-CG 3.74Å; V89-P389 WeakPolarHBondContact O-CA 3.16Å; V89-P389 WeakPolarHBondContact O-CB 3.41Å
90	R	84	Confident	87.3	Confident	223 Å²	223	72.4 Å²	72.4	84%	0.842	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.9	177.4	-56.8	178.8	177.3	167.8	-0.6	113.3	P389	R90-P389 HydrophobicContact CB-CG 4.3Å
91	S	86	Confident	87.8	Confident	18 Å²	18	73.4 Å²	73.4	13%	0.126	37%	0.365	C	S	.	.			trans	-53.6	129.2	179.6	178.8	0	0	0	0	111.9	V89 Q141	V89-S91 PolarHBondContact O-N 3.4Å; S91-Q141 WeakPolarHBondContact OG-CA 3.36Å; S91-Q141 PolarHBondContact OG-O 3.25Å
92	P	91.3	Very high	88.5	Confident	34 Å²	34	76.3 Å²	76.3	22%	0.221	38%	0.378	C	S	.	.			trans	-69.9	172.3	174.5	29.1	-32.7	0	0	0	111.6	R144 D148	P92-R144 WeakPolarHBondContact O-CB 3.4Å; P92-R144 WeakPolarHBondContact O-CD 3.44Å; P92-R144 PolarHBondContact O-NH1 2.99Å; P92-D148 HydrophobicContact CB-CB 3.97Å; P92-D148 HydrophobicContact CG-CB 3.33Å
93	H	92.6	Very high	89.2	Confident	155 Å²	155	75.6 Å²	75.6	72%	0.718	37%	0.374	S	S	*	.			trans	-123.8	76.3	173	-66.1	79.3	0	0	0	108.5	Y95 R144	H93-Y95 PolarHBondContact O-N 2.56Å; H93-R144 PolarHBondContact CD2-NH1 3.33Å; H93-R144 PolarHBondContact CE1-NH1 3.41Å; H93-R144 PolarHBondContact NE2-NH1 2.95Å
94	P	94.5	Very high	89.7	Confident	22 Å²	22	80.7 Å²	80.7	14%	0.143	41%	0.414	C	S	.	.			trans	-60.1	139.1	176.6	27	-34.1	0	0	0	109.7	G96 F114 R144 V147	P94-G96 PolarHBondContact O-N 2.68Å; P94-F114 HydrophobicContact CB-CD1 3.88Å; P94-F114 HydrophobicContact CB-CE1 4.03Å; P94-F114 HydrophobicContact CG-CD1 4.23Å; P94-F114 HydrophobicContact CG-CE1 3.93Å; P94-R144 HydrophobicContact CG-CB 4.21Å; P94-R144 HydrophobicContact CG-CG 4.29Å; P94-V147 HydrophobicContact CB-CG1 4.13Å; P94-V147 HydrophobicContact CG-CB 4.38Å; P94-V147 HydrophobicContact CG-CG1 4.01Å
95	Y	94.4	Very high	90.4	Very high	182 Å²	182	80.1 Å²	80.1	71%	0.714	40%	0.396	S	S	*	.			trans	-81.3	114.7	178.6	-178.6	-102.9	0	0	0	109.6	H93 H97	H93-Y95 PolarHBondContact O-N 2.56Å; Y95-H97 AromaticContact CE1-CE1 3.51Å; Y95-H97 AromaticContact CE1-NE2 3.68Å
96	G	95.8	Very high	91.4	Very high	25 Å²	25	72.8 Å²	72.8	26%	0.258	37%	0.373	S	S	.	.			trans	-119	146.9	-178.8	0	0	0	0	0	112.5	P94 L113 F114	P94-G96 PolarHBondContact O-N 2.68Å; G96-L113 CarbonylContact C-O 3.59Å; G96-L113 VanDerWaalsContact CA-O 3.31Å; G96-L113 WeakPolarHBondContact CA-O 3.33Å; G96-F114 VanDerWaalsContact CA-CD1 3.4Å
97	H	97.4	Very high	92.3	Very high	82 Å²	82	68.4 Å²	68.4	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.5	173.3	-64.2	-77.9	0	0	0	110.2	Y95 K99 L113	Y95-H97 AromaticContact CE1-CE1 3.51Å; Y95-H97 AromaticContact CE1-NE2 3.68Å; H97-K99 PolarHBondContact O-N 3.41Å; H97-L113 PolarHBondContact N-O 2.65Å; H97-L113 PolarHBondContact O-N 3.31Å
98	R	98.2	Very high	93.2	Very high	69 Å²	69	69.3 Å²	69.3	26%	0.26	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.1	174.4	-172.2	155.2	-66.7	161	5.5	111	F100 D112 E139	R98-F100 HydrophobicContact CB-CE2 4.24Å; R98-F100 HydrophobicContact CG-CD2 4.41Å; R98-F100 HydrophobicContact CG-CE1 4.4Å; R98-F100 HydrophobicContact CG-CE2 3.76Å; R98-F100 HydrophobicContact CG-CZ 3.75Å; R98-D112 WeakPolarHBondContact CA-OD1 3.47Å; R98-D112 WeakPolarHBondContact CB-OD1 3.33Å; R98-D112 VanDerWaalsContact CG-OD1 3.25Å; R98-D112 WeakPolarHBondContact CG-OD1 3.35Å; R98-D112 IonicContact CZ-OD1 3.85Å; R98-D112 IonicContact CZ-OD2 3.32Å; R98-D112 IonicContact NE-OD1 2.94Å; R98-D112 PolarHBondContact NE-OD1 2.87Å; R98-D112 IonicContact NE-OD2 2.65Å; R98-D112 IonicContact NH2-OD1 2.68Å; R98-D112 IonicContact NH2-OD2 3.78Å; R98-D112 PolarHBondContact NH2-OD2 3.29Å; R98-E139 IonicContact CZ-OE1 3.6Å; R98-E139 IonicContact NH1-OE1 2.82Å; R98-E139 PolarHBondContact NH1-OE1 3.29Å; R98-E139 IonicContact NH2-OE1 3.24Å; R98-E139 PolarHBondContact NH2-OE1 2.68Å
99	K	98.2	Very high	93.9	Very high	61 Å²	61	69.2 Å²	69.2	27%	0.265	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.6	174.8	-58.6	-58.4	-177.3	178.5	0	109.2	H97 T110 F111 L113	H97-K99 PolarHBondContact O-N 3.41Å; K99-T110 VanDerWaalsContact O-CA 3.25Å; K99-T110 WeakPolarHBondContact O-CA 3.27Å; K99-T110 WeakPolarHBondContact O-CB 3.42Å; K99-F111 HydrophobicContact CB-CD1 3.82Å; K99-F111 HydrophobicContact CB-CD2 4.35Å; K99-F111 HydrophobicContact CB-CE1 3.33Å; K99-F111 HydrophobicContact CB-CE2 3.94Å; K99-F111 HydrophobicContact CB-CG 4.3Å; K99-F111 HydrophobicContact CB-CZ 3.4Å; K99-F111 HydrophobicContact CG-CD2 4.45Å; K99-F111 HydrophobicContact CG-CE1 4.01Å; K99-F111 HydrophobicContact CG-CE2 3.76Å; K99-F111 HydrophobicContact CG-CZ 3.49Å; K99-F111 VanDerWaalsContact CG-CZ 3.49Å; K99-F111 PolarHBondContact N-O 3.13Å; K99-F111 PolarHBondContact O-N 3.35Å; K99-L113 HydrophobicContact CG-CB 4.43Å
100	F	98.2	Very high	94.9	Very high	120 Å²	120	67.5 Å²	67.5	53%	0.526	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.6	-178.7	-60.6	-98.5	0	0	0	108.1	R98 T108 S109 T110 I169	R98-F100 HydrophobicContact CB-CE2 4.24Å; R98-F100 HydrophobicContact CG-CD2 4.41Å; R98-F100 HydrophobicContact CG-CE1 4.4Å; R98-F100 HydrophobicContact CG-CE2 3.76Å; R98-F100 HydrophobicContact CG-CZ 3.75Å; F100-T108 HydrophobicContact CB-CG2 4.23Å; F100-T108 HydrophobicContact CD1-CG2 3.85Å; F100-S109 WeakPolarHBondContact CA-O 3.16Å; F100-T110 HydrophobicContact CD1-CG2 3.46Å; F100-T110 VanDerWaalsContact CD1-CG2 3.46Å; F100-T110 HydrophobicContact CE1-CG2 3.74Å; F100-T110 HydrophobicContact CG-CG2 4.24Å; F100-I169 HydrophobicContact CE1-CD1 4.09Å
101	I	98.1	Very high	95.6	Very high	29 Å²	29	56.9 Å²	56.9	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.7	176.2	-56.7	175.5	0	0	0	107.9	M103 S109 F111 A187 Y191	I101-M103 HydrophobicContact CG2-SD 4.26Å; I101-M103 PolarHBondContact O-N 3.05Å; I101-S109 PolarHBondContact N-O 2.87Å; I101-S109 PolarHBondContact O-N 3.3Å; I101-F111 HydrophobicContact CD1-CD1 4.09Å; I101-F111 HydrophobicContact CD1-CE1 3.75Å; I101-F111 HydrophobicContact CG1-CE1 4.15Å; I101-A187 HydrophobicContact CD1-CB 4.08Å; I101-A187 WeakPolarHBondContact CD1-O 3.36Å; I101-A187 HydrophobicContact CG2-CB 4.28Å; I101-Y191 HydrophobicContact CD1-CD2 4.38Å; I101-Y191 HydrophobicContact CD1-CG 4.46Å; I101-Y191 HydrophobicContact CG1-CD2 4.41Å
102	T	97.8	Very high	96.2	Very high	113 Å²	113	56.5 Å²	56.5	69%	0.693	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.5	170.6	-53.2	0	0	0	0	109.3
103	M	96.9	Very high	96.5	Very high	26 Å²	26	55 Å²	55	13%	0.128	29%	0.291	C	S	.	.			trans	-79.7	163.1	177.3	-56	-61.2	-74.2	0	0	110.6	I101 D105 G106 A107 W183 A187	I101-M103 HydrophobicContact CG2-SD 4.26Å; I101-M103 PolarHBondContact O-N 3.05Å; M103-D105 VanDerWaalsContact CB-OD1 3.3Å; M103-D105 WeakPolarHBondContact CB-OD1 3.41Å; M103-D105 PolarHBondContact O-N 2.88Å; M103-G106 PolarHBondContact O-N 3.43Å; M103-A107 HydrophobicContact CB-CB 4.1Å; M103-A107 WeakPolarHBondContact CB-O 3.06Å; M103-A107 HydrophobicContact CG-CB 4.14Å; M103-A107 WeakPolarHBondContact CG-O 3.35Å; M103-A107 PolarHBondContact N-O 3.1Å; M103-W183 HydrophobicContact CE-CB 3.77Å; M103-A187 HydrophobicContact CE-CB 4.07Å; M103-A187 HydrophobicContact SD-CB 3.79Å
104	S	94.1	Very high	96.8	Very high	136 Å²	136	48 Å²	48	95%	0.951	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26	-179.1	51.7	0	0	0	0	113.9	G106	S104-G106 VanDerWaalsContact C-N 3.31Å
105	D	92.3	Very high	97	Very high	50 Å²	50	50.5 Å²	50.5	27%	0.267	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	6.6	177.7	76.9	-47.9	0	0	0	113.6	M103 A107 S173 R175	M103-D105 VanDerWaalsContact CB-OD1 3.3Å; M103-D105 WeakPolarHBondContact CB-OD1 3.41Å; M103-D105 PolarHBondContact O-N 2.88Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 VanDerWaalsContact OD1-CB 3.27Å; D105-A107 WeakPolarHBondContact OD1-CB 3.45Å; D105-A107 PolarHBondContact OD1-N 2.88Å; D105-S173 WeakPolarHBondContact OD2-CB 3.26Å; D105-S173 PolarHBondContact OD2-OG 3.32Å; D105-R175 IonicContact OD1-CZ 3.34Å; D105-R175 IonicContact OD1-NE 3.6Å; D105-R175 IonicContact OD1-NH2 2.68Å; D105-R175 PolarHBondContact OD1-NH2 2.92Å; D105-R175 VanDerWaalsContact OD1-NH2 3.14Å; D105-R175 WeakPolarHBondContact OD2-CD 3.31Å; D105-R175 IonicContact OD2-CZ 3.49Å; D105-R175 IonicContact OD2-NE 3.19Å; D105-R175 PolarHBondContact OD2-NE 3.48Å; D105-R175 IonicContact OD2-NH2 3.86Å
106	G	93.7	Very high	97.1	Very high	33 Å²	33	44.2 Å²	44.2	34%	0.34	25%	0.249	S	C	.	.	S	Bend	trans	85.7	-6.1	-177.5	0	0	0	0	0	114.5	M103 S104 T172	M103-G106 PolarHBondContact O-N 3.43Å; S104-G106 VanDerWaalsContact C-N 3.31Å; G106-T172 PolarHBondContact O-OG1 3.14Å; G106-T172 VanDerWaalsContact O-OG1 3.12Å
107	A	95.2	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.			trans	-62.7	143.9	176	0	0	0	0	0	111.1	M103 D105 L163 T172	M103-A107 HydrophobicContact CB-CB 4.1Å; M103-A107 WeakPolarHBondContact CB-O 3.06Å; M103-A107 HydrophobicContact CG-CB 4.14Å; M103-A107 WeakPolarHBondContact CG-O 3.35Å; M103-A107 PolarHBondContact N-O 3.1Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 VanDerWaalsContact OD1-CB 3.27Å; D105-A107 WeakPolarHBondContact OD1-CB 3.45Å; D105-A107 PolarHBondContact OD1-N 2.88Å; A107-L163 HydrophobicContact CB-CD1 4.45Å; A107-L163 HydrophobicContact CB-CD2 4.12Å; A107-T172 WeakPolarHBondContact CA-OG1 3.28Å
108	T	97.2	Very high	97.2	Very high	33 Å²	33	46.7 Å²	46.7	20%	0.202	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	97	175	-55.3	0	0	0	0	108.8	F100 T110 T172	F100-T108 HydrophobicContact CB-CG2 4.23Å; F100-T108 HydrophobicContact CD1-CG2 3.85Å; T108-T110 HydrophobicContact CG2-CG2 4.37Å; T108-T172 WeakPolarHBondContact CB-OG1 3.25Å; T108-T172 PolarHBondContact N-OG1 3.5Å; T108-T172 PolarHBondContact OG1-OG1 3.33Å
109	S	97.8	Very high	97.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.2	170.9	-178.2	0	0	0	0	109.7	F100 I101 E184	F100-S109 WeakPolarHBondContact CA-O 3.16Å; I101-S109 PolarHBondContact N-O 2.87Å; I101-S109 PolarHBondContact O-N 3.3Å; S109-E184 WeakPolarHBondContact OG-CB 3.46Å
110	T	98.4	Very high	97	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.7	176.7	66.8	0	0	0	0	111.5	K99 F100 T108 N161 I169	K99-T110 VanDerWaalsContact O-CA 3.25Å; K99-T110 WeakPolarHBondContact O-CA 3.27Å; K99-T110 WeakPolarHBondContact O-CB 3.42Å; F100-T110 HydrophobicContact CD1-CG2 3.46Å; F100-T110 VanDerWaalsContact CD1-CG2 3.46Å; F100-T110 HydrophobicContact CE1-CG2 3.74Å; F100-T110 HydrophobicContact CG-CG2 4.24Å; T108-T110 HydrophobicContact CG2-CG2 4.37Å; T110-N161 WeakPolarHBondContact O-CB 3.42Å; T110-N161 PolarHBondContact O-N 3.28Å; T110-N161 WeakPolarHBondContact OG1-CB 3.38Å; T110-N161 PolarHBondContact OG1-ND2 3Å; T110-I169 HydrophobicContact CG2-CG2 4.44Å
111	F	98.7	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.6	171.1	73.1	-87.9	0	0	0	108.6	K99 I101 L113 A158 V159 M188 Y191 I192	K99-F111 HydrophobicContact CB-CD1 3.82Å; K99-F111 HydrophobicContact CB-CD2 4.35Å; K99-F111 HydrophobicContact CB-CE1 3.33Å; K99-F111 HydrophobicContact CB-CE2 3.94Å; K99-F111 HydrophobicContact CB-CG 4.3Å; K99-F111 HydrophobicContact CB-CZ 3.4Å; K99-F111 HydrophobicContact CG-CD2 4.45Å; K99-F111 HydrophobicContact CG-CE1 4.01Å; K99-F111 HydrophobicContact CG-CE2 3.76Å; K99-F111 HydrophobicContact CG-CZ 3.49Å; K99-F111 VanDerWaalsContact CG-CZ 3.49Å; K99-F111 PolarHBondContact N-O 3.13Å; K99-F111 PolarHBondContact O-N 3.35Å; I101-F111 HydrophobicContact CD1-CD1 4.09Å; I101-F111 HydrophobicContact CD1-CE1 3.75Å; I101-F111 HydrophobicContact CG1-CE1 4.15Å; F111-L113 HydrophobicContact CE2-CB 4.17Å; F111-A158 HydrophobicContact CD2-CB 4.14Å; F111-A158 HydrophobicContact CE2-CB 4.27Å; F111-V159 CarbonylContact C-O 3.5Å; F111-V159 WeakPolarHBondContact CA-O 3.25Å; F111-V159 WeakPolarHBondContact CB-O 3.37Å; F111-M188 HydrophobicContact CB-CG 3.94Å; F111-M188 HydrophobicContact CB-SD 3.5Å; F111-M188 WeakPolarHBondContact CB-SD 3.26Å; F111-M188 HydrophobicContact CD1-CB 4.14Å; F111-M188 HydrophobicContact CD1-CG 3.83Å; F111-M188 HydrophobicContact CD2-CG 3.78Å; F111-M188 HydrophobicContact CD2-SD 3.94Å; F111-M188 HydrophobicContact CE1-CG 4.25Å; F111-M188 HydrophobicContact CE2-CG 4.2Å; F111-M188 HydrophobicContact CG-CB 4.3Å; F111-M188 HydrophobicContact CG-CG 3.58Å; F111-M188 HydrophobicContact CG-SD 3.76Å; F111-M188 HydrophobicContact CZ-CG 4.41Å; F111-Y191 HydrophobicContact CE1-CD1 4.14Å; F111-Y191 HydrophobicContact CE1-CD2 4.42Å; F111-Y191 HydrophobicContact CE1-CG 4.05Å; F111-Y191 HydrophobicContact CE2-CD1 4.44Å; F111-Y191 AromaticContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD1 3.45Å; F111-Y191 VanDerWaalsContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD2 4.45Å; F111-Y191 AromaticContact CZ-CE1 3.79Å; F111-Y191 HydrophobicContact CZ-CE1 3.79Å; F111-Y191 AromaticContact CZ-CG 3.85Å; F111-Y191 HydrophobicContact CZ-CG 3.85Å; F111-I192 HydrophobicContact CE2-CD1 4.1Å; F111-I192 HydrophobicContact CZ-CD1 4.45Å
112	D	98.7	Very high	96.6	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.053	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.1	176.8	-65.2	-13.7	0	0	0	109.9	R98 F114 S138 V159 N161	R98-D112 WeakPolarHBondContact CA-OD1 3.47Å; R98-D112 WeakPolarHBondContact CB-OD1 3.33Å; R98-D112 VanDerWaalsContact CG-OD1 3.25Å; R98-D112 WeakPolarHBondContact CG-OD1 3.35Å; R98-D112 IonicContact CZ-OD1 3.85Å; R98-D112 IonicContact CZ-OD2 3.32Å; R98-D112 IonicContact NE-OD1 2.94Å; R98-D112 PolarHBondContact NE-OD1 2.87Å; R98-D112 IonicContact NE-OD2 2.65Å; R98-D112 IonicContact NH2-OD1 2.68Å; R98-D112 IonicContact NH2-OD2 3.78Å; R98-D112 PolarHBondContact NH2-OD2 3.29Å; D112-F114 HydrophobicContact CB-CE2 3.6Å; D112-F114 HydrophobicContact CB-CZ 3.73Å; D112-F114 WeakPolarHBondContact O-CD2 3.45Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; D112-S138 VanDerWaalsContact OD2-CB 3.29Å; D112-S138 WeakPolarHBondContact OD2-CB 3.37Å; D112-S138 PolarHBondContact OD2-OG 2.97Å; D112-V159 PolarHBondContact N-O 3.19Å; D112-V159 PolarHBondContact O-N 3.03Å; D112-N161 PolarHBondContact OD1-ND2 2.81Å
113	L	98.7	Very high	96.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.5	-178.1	-173.5	62.5	0	0	0	110.7	G96 H97 K99 F111 R156 C157 A158 I192 Y196	G96-L113 CarbonylContact C-O 3.59Å; G96-L113 VanDerWaalsContact CA-O 3.31Å; G96-L113 WeakPolarHBondContact CA-O 3.33Å; H97-L113 PolarHBondContact N-O 2.65Å; H97-L113 PolarHBondContact O-N 3.31Å; K99-L113 HydrophobicContact CG-CB 4.43Å; F111-L113 HydrophobicContact CE2-CB 4.17Å; L113-R156 HydrophobicContact CD1-CG 3.94Å; L113-C157 CarbonylContact C-O 3.58Å; L113-C157 WeakPolarHBondContact CA-O 3.48Å; L113-A158 HydrophobicContact CD1-CB 4.06Å; L113-I192 HydrophobicContact CD1-CD1 3.7Å; L113-Y196 HydrophobicContact CD2-CE2 4.11Å; L113-Y196 WeakPolarHBondContact CD2-OH 3.1Å
114	F	98.6	Very high	96.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.5	-176.4	-54	-95.7	0	0	0	109.3	P94 G96 D112 V147 Q151 R156 C157 V159	P94-F114 HydrophobicContact CB-CD1 3.88Å; P94-F114 HydrophobicContact CB-CE1 4.03Å; P94-F114 HydrophobicContact CG-CD1 4.23Å; P94-F114 HydrophobicContact CG-CE1 3.93Å; G96-F114 VanDerWaalsContact CA-CD1 3.4Å; D112-F114 HydrophobicContact CB-CE2 3.6Å; D112-F114 HydrophobicContact CB-CZ 3.73Å; D112-F114 WeakPolarHBondContact O-CD2 3.45Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; F114-V147 HydrophobicContact CB-CG1 3.85Å; F114-V147 HydrophobicContact CD1-CG1 3.8Å; F114-V147 HydrophobicContact CD2-CG1 3.79Å; F114-V147 HydrophobicContact CE1-CG1 4.26Å; F114-V147 HydrophobicContact CE2-CG1 4.26Å; F114-V147 HydrophobicContact CG-CG1 3.54Å; F114-V147 HydrophobicContact CZ-CG1 4.48Å; F114-Q151 HydrophobicContact CB-CG 4.25Å; F114-R156 CarbonylContact O-C 3.5Å; F114-R156 WeakPolarHBondContact O-CA 3.25Å; F114-R156 WeakPolarHBondContact O-CG 3.2Å; F114-C157 HydrophobicContact CB-CB 4.17Å; F114-C157 HydrophobicContact CD2-CB 4.28Å; F114-C157 PolarHBondContact N-O 2.86Å; F114-C157 PolarHBondContact O-N 3.37Å; F114-V159 HydrophobicContact CD2-CG2 4.25Å; F114-V159 HydrophobicContact CE2-CB 4.38Å; F114-V159 HydrophobicContact CE2-CG2 3.82Å
115	E	98	Very high	96.3	Very high	75 Å²	75	43.6 Å²	43.6	35%	0.35	26%	0.263	S	S	.	.			trans	-80.4	150.4	-178.7	-65.1	-60.5	161.1	0	0	111.8	Q151 R156 Y196	E115-Q151 WeakPolarHBondContact O-CG 3.4Å; E115-Q151 PolarHBondContact O-NE2 2.85Å; E115-R156 IonicContact OE2-NE 3.4Å; E115-Y196 PolarHBondContact OE1-OH 3.49Å; E115-Y196 VanDerWaalsContact OE1-OH 3.1Å
116	P	97.7	Very high	96.6	Very high	50 Å²	50	41.3 Å²	41.3	33%	0.325	25%	0.25	S	S	.	.			trans	-61.2	148.3	175.7	27.9	-35	0	0	0	111.6
117	L	97.5	Very high	96.8	Very high	112 Å²	112	39.8 Å²	39.8	59%	0.586	23%	0.234	S	C	*	.	S	Bend	trans	-105.2	-2.5	178.2	-67	175.3	0	0	0	113	Q151 K152	L117-Q151 HydrophobicContact CB-CB 4.28Å; L117-Q151 HydrophobicContact CD1-CB 3.94Å; L117-Q151 HydrophobicContact CG-CB 3.87Å; L117-Q151 PolarHBondContact N-O 3.48Å; L117-K152 HydrophobicContact CD1-CG 4.36Å
118	A	97	Very high	97	Very high	46 Å²	46	39.8 Å²	39.8	38%	0.38	23%	0.234	S	C	.	.	S	Bend	trans	-148.4	169.6	177.1	0	0	0	0	0	109.6	K152 G154	A118-K152 WeakPolarHBondContact CB-O 3.46Å; A118-G154 WeakPolarHBondContact O-CA 3.43Å
119	E	96.1	Very high	97.1	Very high	185 Å²	185	38.2 Å²	38.2	86%	0.864	22%	0.224	S	C	*	.			trans	-73.8	142	167.3	-67.6	-177.7	172.8	0	0	110.2
120	H	96.9	Very high	97.1	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	22%	0.224	C	C	.	.			trans	-70.3	149.2	176.6	-170.9	-89.8	0	0	0	110.7	V122 G123 I126 N153 Y155 N402	H120-V122 VanDerWaalsContact ND1-CG2 3.29Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.33Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 2.88Å; H120-G123 PolarHBondContact O-N 3.14Å; H120-I126 WeakPolarHBondContact CE1-CD1 3.47Å; H120-I126 WeakPolarHBondContact ND1-CD1 3.35Å; H120-N153 PolarHBondContact CD2-O 3.26Å; H120-Y155 AromaticContact CD2-CE1 3.68Å; H120-Y155 AromaticContact CD2-CE2 3.83Å; H120-Y155 AromaticContact CD2-CZ 3.6Å; H120-Y155 AromaticContact NE2-CE1 3.32Å; H120-Y155 VanDerWaalsContact NE2-CE1 3.32Å; H120-Y155 WeakPolarHBondContact NE2-CE1 3.48Å; H120-Y155 AromaticContact NE2-CE2 3.62Å; H120-Y155 AromaticContact NE2-CZ 3.03Å; H120-Y155 PolarHBondContact NE2-OH 2.81Å; H120-N402 PolarHBondContact NE2-OD1 3.47Å
121	C	93.9	Very high	97.1	Very high	74 Å²	74	37.9 Å²	37.9	50%	0.5	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.1	-173.1	66	0	0	0	0	115.3
122	V	94.4	Very high	97.1	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.17	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.3	173.9	-59.3	0	0	0	0	114.1	H120 D124 I126 C405 Q406	H120-V122 VanDerWaalsContact ND1-CG2 3.29Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.33Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 2.88Å; V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 HydrophobicContact CG2-CB 4.04Å; V122-D124 PolarHBondContact O-N 3.37Å; V122-I126 HydrophobicContact CG2-CD1 4.01Å; V122-C405 HydrophobicContact CG1-CB 4.26Å; V122-C405 HydrophobicContact CG2-CB 4.02Å; V122-Q406 HydrophobicContact CG1-CB 4.47Å; V122-Q406 HydrophobicContact CG1-CG 3.77Å
123	G	92.6	Very high	96.9	Very high	62 Å²	62	37.5 Å²	37.5	64%	0.639	22%	0.221	S	C	*	.	S	Bend	trans	77.6	-1.6	-179.9	0	0	0	0	0	116.3	H120	H120-G123 PolarHBondContact O-N 3.14Å
124	D	92.4	Very high	96.7	Very high	74 Å²	74	39.4 Å²	39.4	40%	0.396	23%	0.231	S	C	.	.	S	Bend	trans	-86.5	155.8	-178.3	-65.1	-24.6	0	0	0	113.2	V122 I126	V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 HydrophobicContact CG2-CB 4.04Å; V122-D124 PolarHBondContact O-N 3.37Å; D124-I126 HydrophobicContact CB-CD1 4.18Å; D124-I126 HydrophobicContact CB-CG1 4.19Å; D124-I126 PolarHBondContact O-N 2.94Å
125	D	95.9	Very high	96.4	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.294	23%	0.233	S	C	.	.			trans	-76	109.8	169	179.3	-13.5	0	0	0	109.8	R156 T199 Q200	D125-R156 IonicContact OD1-CZ 3.68Å; D125-R156 VanDerWaalsContact OD1-CZ 3.24Å; D125-R156 IonicContact OD1-NH1 3.62Å; D125-R156 PolarHBondContact OD1-NH1 3.2Å; D125-R156 IonicContact OD1-NH2 2.87Å; D125-R156 PolarHBondContact OD1-NH2 2.91Å; D125-R156 IonicContact OD2-CZ 3.41Å; D125-R156 IonicContact OD2-NH1 3.58Å; D125-R156 PolarHBondContact OD2-NH1 3.46Å; D125-R156 IonicContact OD2-NH2 3.65Å; D125-R156 PolarHBondContact OD2-NH2 3.4Å; D125-T199 VanDerWaalsContact O-CA 3.26Å; D125-T199 WeakPolarHBondContact O-CA 3.49Å; D125-T199 PolarHBondContact O-OG1 3.09Å; D125-T199 WeakPolarHBondContact OD1-CB 3.29Å; D125-T199 PolarHBondContact OD1-OG1 2.48Å; D125-Q200 PolarHBondContact O-N 3.3Å
126	I	98.4	Very high	96.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.2	-179.9	-57.7	155.4	0	0	0	110.7	H120 V122 D124 Y155 R156 Q200 V202 L228 C405	H120-I126 WeakPolarHBondContact CE1-CD1 3.47Å; H120-I126 WeakPolarHBondContact ND1-CD1 3.35Å; V122-I126 HydrophobicContact CG2-CD1 4.01Å; D124-I126 HydrophobicContact CB-CD1 4.18Å; D124-I126 HydrophobicContact CB-CG1 4.19Å; D124-I126 PolarHBondContact O-N 2.94Å; I126-Y155 HydrophobicContact CB-CD1 4.07Å; I126-Y155 HydrophobicContact CB-CE1 4.13Å; I126-Y155 HydrophobicContact CG2-CD1 3.73Å; I126-Y155 HydrophobicContact CG2-CE1 3.61Å; I126-R156 PolarHBondContact O-N 3.49Å; I126-Q200 WeakPolarHBondContact CA-O 3.5Å; I126-Q200 HydrophobicContact CG1-CB 4.41Å; I126-V202 HydrophobicContact CG2-CG2 3.91Å; I126-L228 HydrophobicContact CD1-CD1 4.46Å; I126-L228 HydrophobicContact CG1-CD1 4.34Å; I126-L228 HydrophobicContact CG2-CD1 4.32Å; I126-C405 HydrophobicContact CD1-CB 4.11Å; I126-C405 VanDerWaalsContact CD1-SG 3.53Å
127	T	98.8	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.8	175.7	-52.5	0	0	0	0	111.6	V129 R156 A158 I192 T199 Q200 L201 V202	T127-V129 HydrophobicContact CG2-CG1 4.26Å; T127-R156 CarbonylContact C-O 3.53Å; T127-R156 VanDerWaalsContact CA-O 3.26Å; T127-R156 WeakPolarHBondContact CA-O 3.2Å; T127-R156 HydrophobicContact CG2-CB 4.16Å; T127-R156 HydrophobicContact CG2-CG 4.2Å; T127-R156 PolarHBondContact OG1-NH1 3.22Å; T127-A158 HydrophobicContact CG2-CB 4.35Å; T127-I192 HydrophobicContact CG2-CG2 3.77Å; T127-T199 PolarHBondContact N-OG1 3.28Å; T127-T199 PolarHBondContact OG1-OG1 3.22Å; T127-Q200 PolarHBondContact N-O 3.29Å; T127-L201 WeakPolarHBondContact O-CA 3.37Å; T127-V202 PolarHBondContact O-N 2.87Å
128	M	98.8	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.1	163.7	-73.5	-170.7	175.2	0	0	110.4	I130 F146 A150 Y155 R156 C157 A158 V202 V398 A401	M128-I130 HydrophobicContact CB-CD1 4.19Å; M128-I130 HydrophobicContact CB-CG1 4.17Å; M128-F146 HydrophobicContact SD-CE1 4.24Å; M128-F146 HydrophobicContact SD-CZ 3.91Å; M128-A150 HydrophobicContact SD-CB 3.75Å; M128-Y155 HydrophobicContact CE-CD1 3.74Å; M128-Y155 HydrophobicContact CE-CD2 3.55Å; M128-Y155 HydrophobicContact CE-CE1 3.63Å; M128-Y155 HydrophobicContact CE-CE2 3.45Å; M128-Y155 VanDerWaalsContact CE-CE2 3.45Å; M128-Y155 HydrophobicContact CE-CG 3.68Å; M128-Y155 VanDerWaalsContact CE-CZ 3.46Å; M128-Y155 HydrophobicContact CG-CD1 3.71Å; M128-Y155 HydrophobicContact CG-CE1 4.3Å; M128-Y155 HydrophobicContact CG-CG 3.9Å; M128-Y155 HydrophobicContact SD-CD1 4.26Å; M128-Y155 HydrophobicContact SD-CD2 4.22Å; M128-Y155 HydrophobicContact SD-CG 3.98Å; M128-R156 PolarHBondContact N-O 3.06Å; M128-C157 CarbonylContact O-C 3.45Å; M128-C157 WeakPolarHBondContact O-CA 3.36Å; M128-A158 PolarHBondContact O-N 2.89Å; M128-V202 CarbonylContact C-O 3.57Å; M128-V202 VanDerWaalsContact CA-O 3.26Å; M128-V202 WeakPolarHBondContact CA-O 3.05Å; M128-V202 HydrophobicContact CE-CG1 4.21Å; M128-V202 HydrophobicContact CG-CB 3.96Å; M128-V202 HydrophobicContact CG-CG1 4.12Å; M128-V398 HydrophobicContact CE-CG2 4.22Å; M128-A401 HydrophobicContact CE-CB 3.7Å
129	V	98.9	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.8	172.2	-70.1	0	0	0	0	109.3	T127 A158 F185 M188 V189 I192 L201 V202 V203 V204	T127-V129 HydrophobicContact CG2-CG1 4.26Å; V129-A158 HydrophobicContact CG1-CB 4.31Å; V129-F185 HydrophobicContact CB-CE2 4.35Å; V129-F185 HydrophobicContact CB-CZ 4.18Å; V129-F185 HydrophobicContact CG2-CZ 3.92Å; V129-M188 HydrophobicContact CB-CE 4Å; V129-M188 HydrophobicContact CG1-CE 4.42Å; V129-V189 HydrophobicContact CB-CG2 4.24Å; V129-V189 HydrophobicContact CG1-CG2 4.27Å; V129-V189 HydrophobicContact CG2-CG2 4.12Å; V129-I192 HydrophobicContact CG1-CG1 4.36Å; V129-L201 HydrophobicContact CG1-CD2 4.22Å; V129-V202 PolarHBondContact N-O 2.94Å; V129-V203 HydrophobicContact CG2-CB 4.21Å; V129-V203 HydrophobicContact CG2-CG1 4.49Å; V129-V203 HydrophobicContact CG2-CG2 3.66Å; V129-V204 PolarHBondContact O-N 3.49Å
130	I	98.9	Very high	96	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.1	-163.7	-59.2	158.8	0	0	0	110.1	M128 I143 F146 V147 C157 A158 V159 L160 V204 F206	M128-I130 HydrophobicContact CB-CD1 4.19Å; M128-I130 HydrophobicContact CB-CG1 4.17Å; I130-I143 HydrophobicContact CG2-CD1 4.09Å; I130-F146 HydrophobicContact CD1-CD1 3.9Å; I130-F146 HydrophobicContact CD1-CE1 3.66Å; I130-F146 HydrophobicContact CG1-CE1 4.03Å; I130-V147 HydrophobicContact CD1-CG2 4.04Å; I130-C157 HydrophobicContact CD1-CB 4.01Å; I130-A158 PolarHBondContact N-O 3.31Å; I130-V159 HydrophobicContact CB-CG1 4.39Å; I130-V159 HydrophobicContact CB-CG2 4.16Å; I130-V159 HydrophobicContact CD1-CG2 3.97Å; I130-V159 HydrophobicContact CG2-CG1 4.29Å; I130-L160 PolarHBondContact O-N 3.44Å; I130-V204 CarbonylContact C-O 3.57Å; I130-V204 WeakPolarHBondContact CA-O 3.43Å; I130-V204 HydrophobicContact CG1-CB 4.21Å; I130-F206 HydrophobicContact CG2-CD2 4.13Å; I130-F206 HydrophobicContact CG2-CE2 3.8Å
131	C	98.8	Very high	95.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.3	173.4	-164	0	0	0	0	110.5	F185 V204 F206 G209 V213	C131-F185 HydrophobicContact CB-CD2 3.94Å; C131-F185 HydrophobicContact CB-CE2 3.98Å; C131-V204 PolarHBondContact N-O 3.09Å; C131-F206 PolarHBondContact O-N 2.98Å; C131-G209 WeakPolarHBondContact SG-CA 3.4Å; C131-V213 HydrophobicContact CB-CG1 3.53Å
132	P	98	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.			trans	-67	169.9	178	-24.4	36.8	0	0	0	114.2	N136 Y142 I143 V159 L160 H162 F206 G209	P132-N136 HydrophobicContact CB-CB 3.7Å; P132-Y142 WeakPolarHBondContact CA-OH 3.33Å; P132-Y142 WeakPolarHBondContact CB-OH 3.48Å; P132-I143 HydrophobicContact CB-CD1 4.12Å; P132-I143 HydrophobicContact CB-CG1 4.35Å; P132-I143 HydrophobicContact CG-CD1 4Å; P132-I143 HydrophobicContact CG-CG1 4.26Å; P132-V159 HydrophobicContact CG-CG1 3.64Å; P132-L160 WeakPolarHBondContact CD-O 3.45Å; P132-L160 WeakPolarHBondContact CG-O 2.99Å; P132-H162 PolarHBondContact O-NE2 2.65Å; P132-F206 CarbonylContact C-O 3.49Å; P132-G209 VanDerWaalsContact O-CA 3.27Å; P132-G209 WeakPolarHBondContact O-CA 3.39Å; P132-G209 PolarHBondContact O-N 2.86Å
133	G	95.5	Very high	95.9	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	14%	0.14	C	C	.	.	S	Bend	trans	-68.2	-178.1	171.8	0	0	0	0	0	113.2	A135 N136 Y142 H162 F206	G133-A135 PolarHBondContact O-N 2.88Å; G133-N136 WeakPolarHBondContact O-CB 3.37Å; G133-N136 PolarHBondContact O-N 3.14Å; G133-N136 VanDerWaalsContact O-N 3.15Å; G133-Y142 PolarHBondContact N-OH 3.34Å; G133-H162 PolarHBondContact O-CD2 2.9Å; G133-H162 PolarHBondContact O-NE2 3.47Å; G133-F206 WeakPolarHBondContact CA-O 3.31Å; G133-F206 PolarHBondContact N-O 2.99Å
134	I	94	Very high	96.1	Very high	42 Å²	42	23.8 Å²	23.8	22%	0.215	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	130.2	-174.8	-172	163.8	0	0	0	112.3	N136 F177 L208 M260 M264 L300	I134-N136 PolarHBondContact O-N 3.25Å; I134-F177 HydrophobicContact CG1-CE2 4.08Å; I134-F177 HydrophobicContact CG1-CZ 4.19Å; I134-L208 HydrophobicContact CB-CB 4.09Å; I134-L208 HydrophobicContact CB-CD1 3.75Å; I134-L208 HydrophobicContact CD1-CD1 4Å; I134-L208 HydrophobicContact CG1-CD1 3.77Å; I134-M260 HydrophobicContact CD1-CE 4.43Å; I134-M260 HydrophobicContact CG2-CE 3.79Å; I134-M264 HydrophobicContact CD1-CE 3.51Å; I134-M264 HydrophobicContact CG1-CE 3.44Å; I134-M264 VanDerWaalsContact CG1-CE 3.44Å; I134-L300 HydrophobicContact CD1-CD1 4.41Å; I134-L300 HydrophobicContact CD1-CD2 4.21Å
135	A	92.2	Very high	96.2	Very high	11 Å²	11	20.5 Å²	20.5	9%	0.091	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	26.7	177.7	0	0	0	0	0	115	G133 F177 M264 I267	G133-A135 PolarHBondContact O-N 2.88Å; A135-F177 HydrophobicContact CB-CE1 3.98Å; A135-F177 HydrophobicContact CB-CZ 3.62Å; A135-M264 HydrophobicContact CB-CE 4.25Å; A135-I267 HydrophobicContact CB-CD1 3.48Å; A135-I267 VanDerWaalsContact CB-CD1 3.48Å
136	N	94.9	Very high	96.3	Very high	28 Å²	28	17.9 Å²	17.9	15%	0.15	9%	0.085	C	C	.	.			trans	-103.9	172.4	178.3	-74.4	-35.1	0	0	0	112.5	P132 G133 I134 K140 H162	P132-N136 HydrophobicContact CB-CB 3.7Å; G133-N136 WeakPolarHBondContact O-CB 3.37Å; G133-N136 PolarHBondContact O-N 3.14Å; G133-N136 VanDerWaalsContact O-N 3.15Å; I134-N136 PolarHBondContact O-N 3.25Å; N136-K140 HydrophobicContact CB-CG 3.94Å; N136-K140 WeakPolarHBondContact OD1-CE 3.47Å; N136-K140 WeakPolarHBondContact OD1-CG 3.37Å; N136-H162 PolarHBondContact O-CD2 3.48Å; N136-H162 PolarHBondContact O-N 2.95Å
137	H	96.5	Very high	96.3	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.042	9%	0.085	C	C	.	.			trans	-155.1	172	-174	53.3	92.7	0	0	0	108.6	E139 K140 N161 A165 L166	H137-E139 IonicContact CE1-OE2 3.95Å; H137-E139 WeakPolarHBondContact ND1-CB 3.25Å; H137-E139 PolarHBondContact ND1-N 2.81Å; H137-E139 PolarHBondContact O-N 2.81Å; H137-E139 VanDerWaalsContact O-N 3.17Å; H137-K140 VanDerWaalsContact NE2-CE 3.27Å; H137-K140 WeakPolarHBondContact NE2-CE 3.19Å; H137-K140 PolarHBondContact NE2-NZ 3.22Å; H137-K140 WeakPolarHBondContact O-CG 3.48Å; H137-K140 PolarHBondContact O-N 2.71Å; H137-N161 HydrophobicContact CB-CB 4.01Å; H137-N161 WeakPolarHBondContact CB-OD1 3.27Å; H137-A165 PolarHBondContact CD2-O 2.83Å; H137-L166 HydrophobicContact CB-CD2 3.83Å; H137-L166 HydrophobicContact CB-CG 3.95Å; H137-L166 WeakPolarHBondContact ND1-CD2 3.18Å
138	S	96.9	Very high	96.3	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.6	-178.5	60.9	0	0	0	0	115.4	D112 K140 I143 R144 N161	D112-S138 VanDerWaalsContact OD2-CB 3.29Å; D112-S138 WeakPolarHBondContact OD2-CB 3.37Å; D112-S138 PolarHBondContact OD2-OG 2.97Å; S138-K140 PolarHBondContact O-N 3.12Å; S138-I143 WeakPolarHBondContact O-CG2 3.48Å; S138-R144 WeakPolarHBondContact O-CG 3.34Å; S138-N161 WeakPolarHBondContact CB-OD1 3.36Å; S138-N161 PolarHBondContact N-OD1 2.9Å; S138-N161 PolarHBondContact OG-OD1 2.68Å; S138-N161 VanDerWaalsContact OG-OD1 3.09Å
139	E	95	Very high	96.2	Very high	81 Å²	81	21.7 Å²	21.7	38%	0.379	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7	-173.6	-47.7	172.9	-178.6	0	0	113.1	R98 H137 R144 L166	R98-E139 IonicContact CZ-OE1 3.6Å; R98-E139 IonicContact NH1-OE1 2.82Å; R98-E139 PolarHBondContact NH1-OE1 3.29Å; R98-E139 IonicContact NH2-OE1 3.24Å; R98-E139 PolarHBondContact NH2-OE1 2.68Å; H137-E139 IonicContact CE1-OE2 3.95Å; H137-E139 WeakPolarHBondContact ND1-CB 3.25Å; H137-E139 PolarHBondContact ND1-N 2.81Å; H137-E139 PolarHBondContact O-N 2.81Å; H137-E139 VanDerWaalsContact O-N 3.17Å; E139-R144 PolarHBondContact O-NE 3.21Å; E139-R144 PolarHBondContact O-NH2 3.14Å; E139-L166 HydrophobicContact CG-CD2 4.34Å
140	K	93.9	Very high	96.2	Very high	77 Å²	77	21.7 Å²	21.7	34%	0.335	10%	0.102	S	C	.	.	S	Bend	trans	-65.8	139.7	175.3	-63.5	-56.3	-169.8	-155.4	0	110.5	N136 H137 S138 Y142 I143 R144	N136-K140 HydrophobicContact CB-CG 3.94Å; N136-K140 WeakPolarHBondContact OD1-CE 3.47Å; N136-K140 WeakPolarHBondContact OD1-CG 3.37Å; H137-K140 VanDerWaalsContact NE2-CE 3.27Å; H137-K140 WeakPolarHBondContact NE2-CE 3.19Å; H137-K140 PolarHBondContact NE2-NZ 3.22Å; H137-K140 WeakPolarHBondContact O-CG 3.48Å; H137-K140 PolarHBondContact O-N 2.71Å; S138-K140 PolarHBondContact O-N 3.12Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 HydrophobicContact CB-CD1 3.97Å; K140-Y142 HydrophobicContact CB-CE1 3.91Å; K140-Y142 PolarHBondContact O-N 3.26Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.91Å; K140-R144 PolarHBondContact O-N 3.46Å
141	Q	93.5	Very high	96.2	Very high	73 Å²	73	22 Å²	22	34%	0.341	10%	0.104	S	C	.	.	H	α-helix	trans	-58.1	-40.7	-171.5	-69	177	6.2	0	0	113.7	M86 R88 S91 I143 R144 T145	M86-Q141 PolarHBondContact O-OE1 2.93Å; R88-Q141 HydrophobicContact CB-CB 4.49Å; R88-Q141 VanDerWaalsContact N-OE1 3.16Å; R88-Q141 PolarHBondContact O-OE1 3.41Å; S91-Q141 WeakPolarHBondContact OG-CA 3.36Å; S91-Q141 PolarHBondContact OG-O 3.25Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.5Å; Q141-R144 PolarHBondContact O-N 3.1Å; Q141-T145 PolarHBondContact O-N 3.02Å; Q141-T145 PolarHBondContact O-OG1 3.41Å
142	Y	93.9	Very high	96.2	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-36.5	178.7	84.4	-85.2	0	0	0	112.6	Y83 P132 G133 K140 F146 F206	Y83-Y142 AromaticContact CE2-CD1 3.95Å; Y83-Y142 HydrophobicContact CE2-CD1 3.95Å; Y83-Y142 AromaticContact CE2-CG 3.84Å; Y83-Y142 HydrophobicContact CE2-CG 3.84Å; Y83-Y142 VanDerWaalsContact OH-CD1 3.31Å; Y83-Y142 WeakPolarHBondContact OH-CD1 3.32Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.21Å; P132-Y142 WeakPolarHBondContact CA-OH 3.33Å; P132-Y142 WeakPolarHBondContact CB-OH 3.48Å; G133-Y142 PolarHBondContact N-OH 3.34Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 HydrophobicContact CB-CD1 3.97Å; K140-Y142 HydrophobicContact CB-CE1 3.91Å; K140-Y142 PolarHBondContact O-N 3.26Å; Y142-F146 WeakPolarHBondContact O-CB 3.4Å; Y142-F146 PolarHBondContact O-N 3.32Å; Y142-F206 HydrophobicContact CE2-CB 4.06Å; Y142-F206 HydrophobicContact CE2-CD1 4.46Å; Y142-F206 AromaticContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CE2 4.45Å; Y142-F206 AromaticContact CE2-CG 3.88Å; Y142-F206 HydrophobicContact CE2-CG 3.88Å
143	I	96.1	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-46.5	172.8	-64.7	-63.8	0	0	0	110.2	I130 P132 S138 K140 Q141 T145 F146 V147 V159 F206	I130-I143 HydrophobicContact CG2-CD1 4.09Å; P132-I143 HydrophobicContact CB-CD1 4.12Å; P132-I143 HydrophobicContact CB-CG1 4.35Å; P132-I143 HydrophobicContact CG-CD1 4Å; P132-I143 HydrophobicContact CG-CG1 4.26Å; S138-I143 WeakPolarHBondContact O-CG2 3.48Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.91Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.5Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.92Å; I143-F146 PolarHBondContact O-N 2.95Å; I143-V147 HydrophobicContact CG2-CG2 3.86Å; I143-V147 WeakPolarHBondContact O-CB 3.34Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.15Å; I143-V159 HydrophobicContact CD1-CG1 4.49Å; I143-V159 HydrophobicContact CG2-CB 4.37Å; I143-V159 HydrophobicContact CG2-CG1 3.77Å; I143-V159 HydrophobicContact CG2-CG2 3.85Å; I143-F206 HydrophobicContact CD1-CD2 4.02Å; I143-F206 HydrophobicContact CD1-CE2 4.16Å
144	R	96.6	Very high	96.3	Very high	39 Å²	39	29.7 Å²	29.7	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-44.1	179.7	-71.4	-172.7	-74.6	146.9	-22.4	112.7	P92 H93 P94 S138 E139 K140 Q141 D148	P92-R144 WeakPolarHBondContact O-CB 3.4Å; P92-R144 WeakPolarHBondContact O-CD 3.44Å; P92-R144 PolarHBondContact O-NH1 2.99Å; H93-R144 PolarHBondContact CD2-NH1 3.33Å; H93-R144 PolarHBondContact CE1-NH1 3.41Å; H93-R144 PolarHBondContact NE2-NH1 2.95Å; P94-R144 HydrophobicContact CG-CB 4.21Å; P94-R144 HydrophobicContact CG-CG 4.29Å; S138-R144 WeakPolarHBondContact O-CG 3.34Å; E139-R144 PolarHBondContact O-NE 3.21Å; E139-R144 PolarHBondContact O-NH2 3.14Å; K140-R144 PolarHBondContact O-N 3.46Å; Q141-R144 PolarHBondContact O-N 3.1Å; R144-D148 VanDerWaalsContact O-CB 3.32Å; R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.92Å
145	T	95.8	Very high	96.5	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-47.9	174.1	-66.7	0	0	0	0	111.5	R88 Q141 I143 Y149 P389 L390	R88-T145 HydrophobicContact CB-CG2 4.5Å; R88-T145 WeakPolarHBondContact CB-OG1 3.37Å; R88-T145 HydrophobicContact CG-CG2 4.24Å; Q141-T145 PolarHBondContact O-N 3.02Å; Q141-T145 PolarHBondContact O-OG1 3.41Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.92Å; T145-Y149 WeakPolarHBondContact O-CB 2.98Å; T145-Y149 PolarHBondContact O-N 3.09Å; T145-Y149 VanDerWaalsContact O-N 3.12Å; T145-P389 WeakPolarHBondContact CG2-O 3.45Å; T145-L390 HydrophobicContact CG2-CD2 3.81Å
146	F	97.5	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-45.5	179.5	178.5	-109.3	0	0	0	112.2	M128 I130 Y142 I143 Y149 A150 V204 F206 D394 V397 V398	M128-F146 HydrophobicContact SD-CE1 4.24Å; M128-F146 HydrophobicContact SD-CZ 3.91Å; I130-F146 HydrophobicContact CD1-CD1 3.9Å; I130-F146 HydrophobicContact CD1-CE1 3.66Å; I130-F146 HydrophobicContact CG1-CE1 4.03Å; Y142-F146 WeakPolarHBondContact O-CB 3.4Å; Y142-F146 PolarHBondContact O-N 3.32Å; I143-F146 PolarHBondContact O-N 2.95Å; F146-Y149 PolarHBondContact O-N 2.82Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.03Å; F146-V204 HydrophobicContact CE1-CG1 4.24Å; F146-V204 HydrophobicContact CZ-CG1 4.26Å; F146-V204 HydrophobicContact CZ-CG2 4.39Å; F146-F206 HydrophobicContact CD1-CE2 4.02Å; F146-F206 AromaticContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD2-CZ 4.29Å; F146-F206 HydrophobicContact CE1-CE2 4.26Å; F146-F206 HydrophobicContact CE1-CZ 4.09Å; F146-F206 HydrophobicContact CE2-CZ 4.46Å; F146-F206 HydrophobicContact CG-CE2 4.49Å; F146-F206 HydrophobicContact CG-CZ 4.02Å; F146-F206 HydrophobicContact CZ-CZ 4.37Å; F146-D394 HydrophobicContact CD2-CB 4.2Å; F146-V397 HydrophobicContact CE2-CB 3.87Å; F146-V397 HydrophobicContact CE2-CG1 3.71Å; F146-V397 HydrophobicContact CZ-CB 4.25Å; F146-V397 HydrophobicContact CZ-CG1 3.56Å; F146-V398 HydrophobicContact CE2-CG2 4.01Å
147	V	98.4	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-47.9	178.5	166.8	0	0	0	0	111.3	P94 F114 I130 I143 Y149 A150 Q151 C157 V159	P94-V147 HydrophobicContact CB-CG1 4.13Å; P94-V147 HydrophobicContact CG-CB 4.38Å; P94-V147 HydrophobicContact CG-CG1 4.01Å; F114-V147 HydrophobicContact CB-CG1 3.85Å; F114-V147 HydrophobicContact CD1-CG1 3.8Å; F114-V147 HydrophobicContact CD2-CG1 3.79Å; F114-V147 HydrophobicContact CE1-CG1 4.26Å; F114-V147 HydrophobicContact CE2-CG1 4.26Å; F114-V147 HydrophobicContact CG-CG1 3.54Å; F114-V147 HydrophobicContact CZ-CG1 4.48Å; I130-V147 HydrophobicContact CD1-CG2 4.04Å; I143-V147 HydrophobicContact CG2-CG2 3.86Å; I143-V147 WeakPolarHBondContact O-CB 3.34Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.15Å; V147-Y149 VanDerWaalsContact C-N 3.26Å; V147-Y149 PolarHBondContact O-N 3.34Å; V147-A150 PolarHBondContact O-N 3.27Å; V147-Q151 HydrophobicContact CG1-CG 4.19Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 VanDerWaalsContact O-CG 3.26Å; V147-Q151 WeakPolarHBondContact O-CG 3.31Å; V147-Q151 PolarHBondContact O-N 3.17Å; V147-C157 HydrophobicContact CG1-CB 4.06Å; V147-C157 HydrophobicContact CG2-CB 4.17Å; V147-V159 HydrophobicContact CG2-CG2 3.6Å
148	D	97.9	Very high	97.1	Very high	29 Å²	29	26.2 Å²	26.2	16%	0.155	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-40.9	177	173.3	83.6	0	0	0	111.7	P92 R144 K152	P92-D148 HydrophobicContact CB-CB 3.97Å; P92-D148 HydrophobicContact CG-CB 3.33Å; R144-D148 VanDerWaalsContact O-CB 3.32Å; R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.92Å; D148-K152 VanDerWaalsContact CG-NZ 3.34Å; D148-K152 WeakPolarHBondContact O-CD 3.38Å; D148-K152 VanDerWaalsContact O-CG 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.31Å; D148-K152 PolarHBondContact O-N 3.34Å; D148-K152 WeakPolarHBondContact OD1-CE 3.37Å; D148-K152 IonicContact OD1-NZ 3.26Å; D148-K152 PolarHBondContact OD1-NZ 3.28Å; D148-K152 WeakPolarHBondContact OD2-CE 3.34Å; D148-K152 IonicContact OD2-NZ 2.68Å; D148-K152 PolarHBondContact OD2-NZ 3.02Å
149	Y	98	Very high	97.2	Very high	53 Å²	53	26.1 Å²	26.1	21%	0.208	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-43.4	176.5	-171.9	-115.4	0	0	0	112.8	T145 F146 V147 K152 N153 L390 K395 V398	T145-Y149 WeakPolarHBondContact O-CB 2.98Å; T145-Y149 PolarHBondContact O-N 3.09Å; T145-Y149 VanDerWaalsContact O-N 3.12Å; F146-Y149 PolarHBondContact O-N 2.82Å; V147-Y149 VanDerWaalsContact C-N 3.26Å; V147-Y149 PolarHBondContact O-N 3.34Å; Y149-K152 PolarHBondContact O-N 3Å; Y149-N153 PolarHBondContact O-N 2.94Å; Y149-N153 PolarHBondContact O-ND2 3.2Å; Y149-L390 HydrophobicContact CD1-CD2 4.4Å; Y149-L390 HydrophobicContact CD2-CD1 3.46Å; Y149-L390 VanDerWaalsContact CD2-CD1 3.46Å; Y149-L390 HydrophobicContact CD2-CD2 3.81Å; Y149-L390 HydrophobicContact CD2-CG 4.31Å; Y149-L390 HydrophobicContact CE2-CD1 3.64Å; Y149-L390 HydrophobicContact CG-CD1 4.2Å; Y149-L390 HydrophobicContact CG-CD2 3.7Å; Y149-K395 HydrophobicContact CE1-CG 4.24Å; Y149-V398 HydrophobicContact CD1-CB 4.15Å; Y149-V398 HydrophobicContact CD1-CG1 4.5Å; Y149-V398 HydrophobicContact CD1-CG2 3.66Å; Y149-V398 HydrophobicContact CE1-CB 3.77Å; Y149-V398 HydrophobicContact CE1-CG1 4.02Å; Y149-V398 HydrophobicContact CE1-CG2 3.83Å
150	A	98.6	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-42.6	177.1	0	0	0	0	0	111.9	M128 F146 V147 K152 N153 G154 Y155 V398	M128-A150 HydrophobicContact SD-CB 3.75Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.03Å; V147-A150 PolarHBondContact O-N 3.27Å; A150-K152 VanDerWaalsContact C-N 3.3Å; A150-K152 PolarHBondContact O-N 3.24Å; A150-N153 CarbonylContact O-C 3.55Å; A150-N153 WeakPolarHBondContact O-CA 3.33Å; A150-N153 PolarHBondContact O-N 2.79Å; A150-G154 PolarHBondContact O-N 3.35Å; A150-Y155 HydrophobicContact CB-CD2 4.43Å; A150-Y155 WeakPolarHBondContact O-CB 3.34Å; A150-Y155 WeakPolarHBondContact O-CD2 3.4Å; A150-Y155 PolarHBondContact O-N 3.19Å; A150-Y155 VanDerWaalsContact O-N 3.1Å; A150-V398 HydrophobicContact CB-CG2 4.38Å
151	Q	98.4	Very high	97.6	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.033	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-42.2	174.9	-74.2	179.1	-79.1	0	0	111.9	F114 E115 L117 V147 N153 G154 Y155	F114-Q151 HydrophobicContact CB-CG 4.25Å; E115-Q151 WeakPolarHBondContact O-CG 3.4Å; E115-Q151 PolarHBondContact O-NE2 2.85Å; L117-Q151 HydrophobicContact CB-CB 4.28Å; L117-Q151 HydrophobicContact CD1-CB 3.94Å; L117-Q151 HydrophobicContact CG-CB 3.87Å; L117-Q151 PolarHBondContact N-O 3.48Å; V147-Q151 HydrophobicContact CG1-CG 4.19Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 VanDerWaalsContact O-CG 3.26Å; V147-Q151 WeakPolarHBondContact O-CG 3.31Å; V147-Q151 PolarHBondContact O-N 3.17Å; Q151-N153 PolarHBondContact O-N 2.87Å; Q151-G154 PolarHBondContact O-N 3.39Å; Q151-Y155 WeakPolarHBondContact CA-O 3.4Å
152	K	98.2	Very high	97.9	Very high	113 Å²	113	15.5 Å²	15.5	49%	0.491	7%	0.07	S	C	.	.	H	α-helix	trans	-67.1	-17.9	175.9	-73.6	168.5	-179.2	163.6	0	113.7	L117 A118 D148 Y149 A150	L117-K152 HydrophobicContact CD1-CG 4.36Å; A118-K152 WeakPolarHBondContact CB-O 3.46Å; D148-K152 VanDerWaalsContact CG-NZ 3.34Å; D148-K152 WeakPolarHBondContact O-CD 3.38Å; D148-K152 VanDerWaalsContact O-CG 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.31Å; D148-K152 PolarHBondContact O-N 3.34Å; D148-K152 WeakPolarHBondContact OD1-CE 3.37Å; D148-K152 IonicContact OD1-NZ 3.26Å; D148-K152 PolarHBondContact OD1-NZ 3.28Å; D148-K152 WeakPolarHBondContact OD2-CE 3.34Å; D148-K152 IonicContact OD2-NZ 2.68Å; D148-K152 PolarHBondContact OD2-NZ 3.02Å; Y149-K152 PolarHBondContact O-N 3Å; A150-K152 VanDerWaalsContact C-N 3.3Å; A150-K152 PolarHBondContact O-N 3.24Å
153	N	98.3	Very high	98	Very high	44 Å²	44	15.7 Å²	15.7	24%	0.235	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	11.5	172.2	-76.6	-93.2	0	0	0	112.6	H120 Y149 A150 Q151 Y155 V398	H120-N153 PolarHBondContact CD2-O 3.26Å; Y149-N153 PolarHBondContact O-N 2.94Å; Y149-N153 PolarHBondContact O-ND2 3.2Å; A150-N153 CarbonylContact O-C 3.55Å; A150-N153 WeakPolarHBondContact O-CA 3.33Å; A150-N153 PolarHBondContact O-N 2.79Å; Q151-N153 PolarHBondContact O-N 2.87Å; N153-Y155 HydrophobicContact CB-CD2 3.99Å; N153-Y155 HydrophobicContact CB-CE2 4.09Å; N153-V398 HydrophobicContact CB-CG1 3.74Å
154	G	98.2	Very high	98	Very high	6 Å²	6	16.1 Å²	16.1	6%	0.062	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.6	174.1	0	0	0	0	0	115.6	A118 A150 Q151	A118-G154 WeakPolarHBondContact O-CA 3.43Å; A150-G154 PolarHBondContact O-N 3.35Å; Q151-G154 PolarHBondContact O-N 3.39Å
155	Y	98.6	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.			trans	-89.2	133.5	174.1	-66.3	-80.5	0	0	0	112.2	H120 I126 M128 A150 Q151 N153 V202 V398 A401 N402	H120-Y155 AromaticContact CD2-CE1 3.68Å; H120-Y155 AromaticContact CD2-CE2 3.83Å; H120-Y155 AromaticContact CD2-CZ 3.6Å; H120-Y155 AromaticContact NE2-CE1 3.32Å; H120-Y155 VanDerWaalsContact NE2-CE1 3.32Å; H120-Y155 WeakPolarHBondContact NE2-CE1 3.48Å; H120-Y155 AromaticContact NE2-CE2 3.62Å; H120-Y155 AromaticContact NE2-CZ 3.03Å; H120-Y155 PolarHBondContact NE2-OH 2.81Å; I126-Y155 HydrophobicContact CB-CD1 4.07Å; I126-Y155 HydrophobicContact CB-CE1 4.13Å; I126-Y155 HydrophobicContact CG2-CD1 3.73Å; I126-Y155 HydrophobicContact CG2-CE1 3.61Å; M128-Y155 HydrophobicContact CE-CD1 3.74Å; M128-Y155 HydrophobicContact CE-CD2 3.55Å; M128-Y155 HydrophobicContact CE-CE1 3.63Å; M128-Y155 HydrophobicContact CE-CE2 3.45Å; M128-Y155 VanDerWaalsContact CE-CE2 3.45Å; M128-Y155 HydrophobicContact CE-CG 3.68Å; M128-Y155 VanDerWaalsContact CE-CZ 3.46Å; M128-Y155 HydrophobicContact CG-CD1 3.71Å; M128-Y155 HydrophobicContact CG-CE1 4.3Å; M128-Y155 HydrophobicContact CG-CG 3.9Å; M128-Y155 HydrophobicContact SD-CD1 4.26Å; M128-Y155 HydrophobicContact SD-CD2 4.22Å; M128-Y155 HydrophobicContact SD-CG 3.98Å; A150-Y155 HydrophobicContact CB-CD2 4.43Å; A150-Y155 WeakPolarHBondContact O-CB 3.34Å; A150-Y155 WeakPolarHBondContact O-CD2 3.4Å; A150-Y155 PolarHBondContact O-N 3.19Å; A150-Y155 VanDerWaalsContact O-N 3.1Å; Q151-Y155 WeakPolarHBondContact CA-O 3.4Å; N153-Y155 HydrophobicContact CB-CD2 3.99Å; N153-Y155 HydrophobicContact CB-CE2 4.09Å; Y155-V202 HydrophobicContact CE1-CG2 4.28Å; Y155-V398 HydrophobicContact CE2-CG1 4.11Å; Y155-A401 VanDerWaalsContact OH-C 3.31Å; Y155-A401 WeakPolarHBondContact OH-CB 3.24Å; Y155-N402 PolarHBondContact OH-N 3.32Å; Y155-N402 PolarHBondContact OH-OD1 3.48Å
156	R	98.7	Very high	97.9	Very high	17 Å²	17	14.7 Å²	14.7	6%	0.064	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.5	156.1	-171.6	-174.5	-56.6	115.3	1.2	108	L113 F114 E115 D125 I126 T127 M128 Y196 T199	L113-R156 HydrophobicContact CD1-CG 3.94Å; F114-R156 CarbonylContact O-C 3.5Å; F114-R156 WeakPolarHBondContact O-CA 3.25Å; F114-R156 WeakPolarHBondContact O-CG 3.2Å; E115-R156 IonicContact OE2-NE 3.4Å; D125-R156 IonicContact OD1-CZ 3.68Å; D125-R156 VanDerWaalsContact OD1-CZ 3.24Å; D125-R156 IonicContact OD1-NH1 3.62Å; D125-R156 PolarHBondContact OD1-NH1 3.2Å; D125-R156 IonicContact OD1-NH2 2.87Å; D125-R156 PolarHBondContact OD1-NH2 2.91Å; D125-R156 IonicContact OD2-CZ 3.41Å; D125-R156 IonicContact OD2-NH1 3.58Å; D125-R156 PolarHBondContact OD2-NH1 3.46Å; D125-R156 IonicContact OD2-NH2 3.65Å; D125-R156 PolarHBondContact OD2-NH2 3.4Å; I126-R156 PolarHBondContact O-N 3.49Å; T127-R156 CarbonylContact C-O 3.53Å; T127-R156 VanDerWaalsContact CA-O 3.26Å; T127-R156 WeakPolarHBondContact CA-O 3.2Å; T127-R156 HydrophobicContact CG2-CB 4.16Å; T127-R156 HydrophobicContact CG2-CG 4.2Å; T127-R156 PolarHBondContact OG1-NH1 3.22Å; M128-R156 PolarHBondContact N-O 3.06Å; R156-Y196 VanDerWaalsContact CZ-CE1 3.47Å; R156-Y196 VanDerWaalsContact CZ-CG 3.47Å; R156-Y196 VanDerWaalsContact NH1-CG 3.3Å; R156-T199 PolarHBondContact NH1-OG1 2.86Å
157	C	98.9	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	178.3	-63.5	0	0	0	0	110.8	L113 F114 M128 I130 V147	L113-C157 CarbonylContact C-O 3.58Å; L113-C157 WeakPolarHBondContact CA-O 3.48Å; F114-C157 HydrophobicContact CB-CB 4.17Å; F114-C157 HydrophobicContact CD2-CB 4.28Å; F114-C157 PolarHBondContact N-O 2.86Å; F114-C157 PolarHBondContact O-N 3.37Å; M128-C157 CarbonylContact O-C 3.45Å; M128-C157 WeakPolarHBondContact O-CA 3.36Å; I130-C157 HydrophobicContact CD1-CB 4.01Å; V147-C157 HydrophobicContact CG1-CB 4.06Å; V147-C157 HydrophobicContact CG2-CB 4.17Å
158	A	98.8	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113	170.1	0	0	0	0	0	108.6	F111 L113 T127 M128 V129 I130 M188 I192	F111-A158 HydrophobicContact CD2-CB 4.14Å; F111-A158 HydrophobicContact CE2-CB 4.27Å; L113-A158 HydrophobicContact CD1-CB 4.06Å; T127-A158 HydrophobicContact CG2-CB 4.35Å; M128-A158 PolarHBondContact O-N 2.89Å; V129-A158 HydrophobicContact CG1-CB 4.31Å; I130-A158 PolarHBondContact N-O 3.31Å; A158-M188 HydrophobicContact CB-CG 4.3Å; A158-M188 HydrophobicContact CB-SD 4.02Å; A158-I192 HydrophobicContact CB-CD1 3.73Å; A158-I192 HydrophobicContact CB-CG1 3.85Å
159	V	98.9	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.7	-176.9	-171	0	0	0	0	110.6	F111 D112 F114 I130 P132 I143 V147	F111-V159 CarbonylContact C-O 3.5Å; F111-V159 WeakPolarHBondContact CA-O 3.25Å; F111-V159 WeakPolarHBondContact CB-O 3.37Å; D112-V159 PolarHBondContact N-O 3.19Å; D112-V159 PolarHBondContact O-N 3.03Å; F114-V159 HydrophobicContact CD2-CG2 4.25Å; F114-V159 HydrophobicContact CE2-CB 4.38Å; F114-V159 HydrophobicContact CE2-CG2 3.82Å; I130-V159 HydrophobicContact CB-CG1 4.39Å; I130-V159 HydrophobicContact CB-CG2 4.16Å; I130-V159 HydrophobicContact CD1-CG2 3.97Å; I130-V159 HydrophobicContact CG2-CG1 4.29Å; P132-V159 HydrophobicContact CG-CG1 3.64Å; I143-V159 HydrophobicContact CD1-CG1 4.49Å; I143-V159 HydrophobicContact CG2-CB 4.37Å; I143-V159 HydrophobicContact CG2-CG1 3.77Å; I143-V159 HydrophobicContact CG2-CG2 3.85Å; V147-V159 HydrophobicContact CG2-CG2 3.6Å
160	L	98.8	Very high	96.9	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135	173.5	178.6	65.1	0	0	0	111.3	I130 P132 E184 F185 M188	I130-L160 PolarHBondContact O-N 3.44Å; P132-L160 WeakPolarHBondContact CD-O 3.45Å; P132-L160 WeakPolarHBondContact CG-O 2.99Å; L160-E184 HydrophobicContact CD1-CB 3.77Å; L160-E184 HydrophobicContact CD2-CB 4.39Å; L160-F185 HydrophobicContact CD2-CB 4.16Å; L160-F185 HydrophobicContact CD2-CD2 4.41Å; L160-M188 HydrophobicContact CB-CE 4.15Å; L160-M188 HydrophobicContact CB-SD 4.04Å; L160-M188 PolarHBondContact N-SD 2.76Å; L160-M188 VanDerWaalsContact N-SD 3.42Å
161	N	98.5	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.3	163.5	-56.3	-47	0	0	0	108.1	T110 D112 H137 S138 L163 L166	T110-N161 WeakPolarHBondContact O-CB 3.42Å; T110-N161 PolarHBondContact O-N 3.28Å; T110-N161 WeakPolarHBondContact OG1-CB 3.38Å; T110-N161 PolarHBondContact OG1-ND2 3Å; D112-N161 PolarHBondContact OD1-ND2 2.81Å; H137-N161 HydrophobicContact CB-CB 4.01Å; H137-N161 WeakPolarHBondContact CB-OD1 3.27Å; S138-N161 WeakPolarHBondContact CB-OD1 3.36Å; S138-N161 PolarHBondContact N-OD1 2.9Å; S138-N161 PolarHBondContact OG-OD1 2.68Å; S138-N161 VanDerWaalsContact OG-OD1 3.09Å; N161-L163 PolarHBondContact O-N 3.33Å; N161-L166 HydrophobicContact CB-CD1 3.71Å; N161-L166 HydrophobicContact CB-CG 4.11Å
162	H	98.1	Very high	96.5	Very high	5 Å²	5	36 Å²	36	2%	0.023	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-57	137.9	179.5	-77.3	-54.3	0	0	0	110.9	P132 G133 N136 G164 A165 F177	P132-H162 PolarHBondContact O-NE2 2.65Å; G133-H162 PolarHBondContact O-CD2 2.9Å; G133-H162 PolarHBondContact O-NE2 3.47Å; N136-H162 PolarHBondContact O-CD2 3.48Å; N136-H162 PolarHBondContact O-N 2.95Å; H162-G164 PolarHBondContact O-N 3.46Å; H162-G164 VanDerWaalsContact O-N 3.1Å; H162-A165 HydrophobicContact CB-CB 3.84Å; H162-A165 WeakPolarHBondContact O-CB 3.36Å; H162-A165 PolarHBondContact O-N 3.07Å; H162-F177 HydrophobicContact CB-CB 4.04Å; H162-F177 HydrophobicContact CB-CD1 3.68Å; H162-F177 HydrophobicContact CB-CD2 4.26Å; H162-F177 HydrophobicContact CB-CE1 4.2Å; H162-F177 HydrophobicContact CB-CG 3.72Å; H162-F177 AromaticContact CG-CG 3.98Å
163	L	96.8	Very high	96.2	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.047	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	115	-175.4	-177.4	66.7	0	0	0	110.9	A107 N161 L171 R175 F177	A107-L163 HydrophobicContact CB-CD1 4.45Å; A107-L163 HydrophobicContact CB-CD2 4.12Å; N161-L163 PolarHBondContact O-N 3.33Å; L163-L171 HydrophobicContact CD1-CD2 3.8Å; L163-L171 HydrophobicContact CD2-CD2 4.42Å; L163-L171 HydrophobicContact CG-CD2 3.63Å; L163-R175 HydrophobicContact CD2-CG 3.99Å; L163-R175 VanDerWaalsContact CD2-NH1 3.33Å; L163-R175 WeakPolarHBondContact CD2-O 3.31Å; L163-F177 HydrophobicContact CB-CB 4.48Å; L163-F177 WeakPolarHBondContact O-CD1 3.29Å; L163-F177 PolarHBondContact O-N 2.92Å
164	G	95.4	Very high	95.9	Very high	9 Å²	9	30.5 Å²	30.5	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-1	-175.6	0	0	0	0	0	115.5	H162 I267 H271	H162-G164 PolarHBondContact O-N 3.46Å; H162-G164 VanDerWaalsContact O-N 3.1Å; G164-I267 WeakPolarHBondContact O-CG2 3.33Å; G164-H271 PolarHBondContact O-NE2 2.86Å
165	A	95.6	Very high	95.7	Very high	9 Å²	9	30.4 Å²	30.4	7%	0.074	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-27.6	-179.3	0	0	0	0	0	114.2	H137 H162	H137-A165 PolarHBondContact CD2-O 2.83Å; H162-A165 HydrophobicContact CB-CB 3.84Å; H162-A165 WeakPolarHBondContact O-CB 3.36Å; H162-A165 PolarHBondContact O-N 3.07Å
166	L	96	Very high	95.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	-77	128.7	175.7	-79.4	169.2	0	0	0	110.1	H137 E139 N161 N168 I169	H137-L166 HydrophobicContact CB-CD2 3.83Å; H137-L166 HydrophobicContact CB-CG 3.95Å; H137-L166 WeakPolarHBondContact ND1-CD2 3.18Å; E139-L166 HydrophobicContact CG-CD2 4.34Å; N161-L166 HydrophobicContact CB-CD1 3.71Å; N161-L166 HydrophobicContact CB-CG 4.11Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.05Å; L166-I169 HydrophobicContact CB-CB 4.01Å; L166-I169 HydrophobicContact CB-CG1 3.81Å; L166-I169 HydrophobicContact CD1-CG1 3.81Å; L166-I169 HydrophobicContact CG-CG1 4.47Å; L166-I169 PolarHBondContact O-N 3.28Å
167	P	91.4	Very high	95.4	Very high	97 Å²	97	29.8 Å²	29.8	63%	0.63	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.3	-175	26.3	-34.7	0	0	0	114
168	N	91.5	Very high	95.3	Very high	142 Å²	142	29.9 Å²	29.9	76%	0.759	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	10.7	-175.5	-60	-29.9	0	0	0	113.2	L166	L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.05Å
169	I	94.4	Very high	95.2	Very high	40 Å²	40	31.6 Å²	31.6	21%	0.205	17%	0.174	C	C	.	.			trans	-120.5	116.1	179.3	-57.7	-62.7	0	0	0	108.1	F100 T110 L166 H271	F100-I169 HydrophobicContact CE1-CD1 4.09Å; T110-I169 HydrophobicContact CG2-CG2 4.44Å; L166-I169 HydrophobicContact CB-CB 4.01Å; L166-I169 HydrophobicContact CB-CG1 3.81Å; L166-I169 HydrophobicContact CD1-CG1 3.81Å; L166-I169 HydrophobicContact CG-CG1 4.47Å; L166-I169 PolarHBondContact O-N 3.28Å; I169-H271 PolarHBondContact O-CE1 2.8Å
170	E	93.7	Very high	95.1	Very high	165 Å²	165	31.6 Å²	31.6	77%	0.771	17%	0.174	S	C	*	.			trans	-74.9	151.1	177.6	-64.2	-174.5	162.5	0	0	111.7
171	L	94.3	Very high	95	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.079	18%	0.175	C	C	.	.			trans	-74.3	124	169.1	-67.1	179.1	0	0	0	110.4	L163 R175 M176 H271 A274 L275	L163-L171 HydrophobicContact CD1-CD2 3.8Å; L163-L171 HydrophobicContact CD2-CD2 4.42Å; L163-L171 HydrophobicContact CG-CD2 3.63Å; L171-R175 WeakPolarHBondContact CD2-O 3.32Å; L171-M176 HydrophobicContact CD1-CG 3.64Å; L171-M176 HydrophobicContact CD1-SD 4.5Å; L171-H271 HydrophobicContact CD1-CB 3.58Å; L171-H271 HydrophobicContact CG-CB 4.22Å; L171-A274 HydrophobicContact CB-CB 3.92Å; L171-L275 HydrophobicContact CD1-CD1 4.16Å; L171-L275 HydrophobicContact CD1-CD2 3.69Å; L171-L275 HydrophobicContact CD1-CG 3.92Å
172	T	93.4	Very high	95	Very high	79 Å²	79	32 Å²	32	49%	0.485	18%	0.177	S	C	.	.	S	Bend	trans	-97.5	-2	176.6	49.3	0	0	0	0	113.5	G106 A107 T108	G106-T172 PolarHBondContact O-OG1 3.14Å; G106-T172 VanDerWaalsContact O-OG1 3.12Å; A107-T172 WeakPolarHBondContact CA-OG1 3.28Å; T108-T172 WeakPolarHBondContact CB-OG1 3.25Å; T108-T172 PolarHBondContact N-OG1 3.5Å; T108-T172 PolarHBondContact OG1-OG1 3.33Å
173	S	92	Very high	94.9	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.035	20%	0.199	C	C	.	.	S	Bend	trans	-136.7	148.4	171.6	177.1	0	0	0	0	108.5	D105 R175	D105-S173 WeakPolarHBondContact OD2-CB 3.26Å; D105-S173 PolarHBondContact OD2-OG 3.32Å; S173-R175 PolarHBondContact O-N 2.84Å
174	P	91.8	Very high	95	Very high	35 Å²	35	37.7 Å²	37.7	23%	0.227	20%	0.198	C	C	.	.	S	Bend	trans	-76.4	57.5	-177	33.9	-40.3	0	0	0	112.3	A274 V280 K282	P174-A274 WeakPolarHBondContact CB-O 3.39Å; P174-V280 HydrophobicContact CB-CG1 3.54Å; P174-V280 HydrophobicContact CB-CG2 4.17Å; P174-V280 HydrophobicContact CG-CG1 3.82Å; P174-K282 HydrophobicContact CG-CD 3.89Å
175	R	93.6	Very high	95.2	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.019	19%	0.193	C	C	.	.			trans	-154.7	160.7	173.6	64.7	173.1	-177.1	90.7	3.2	111.4	D105 L163 L171 S173 E184 F311	D105-R175 IonicContact OD1-CZ 3.34Å; D105-R175 IonicContact OD1-NE 3.6Å; D105-R175 IonicContact OD1-NH2 2.68Å; D105-R175 PolarHBondContact OD1-NH2 2.92Å; D105-R175 VanDerWaalsContact OD1-NH2 3.14Å; D105-R175 WeakPolarHBondContact OD2-CD 3.31Å; D105-R175 IonicContact OD2-CZ 3.49Å; D105-R175 IonicContact OD2-NE 3.19Å; D105-R175 PolarHBondContact OD2-NE 3.48Å; D105-R175 IonicContact OD2-NH2 3.86Å; L163-R175 HydrophobicContact CD2-CG 3.99Å; L163-R175 VanDerWaalsContact CD2-NH1 3.33Å; L163-R175 WeakPolarHBondContact CD2-O 3.31Å; L171-R175 WeakPolarHBondContact CD2-O 3.32Å; S173-R175 PolarHBondContact O-N 2.84Å; R175-E184 IonicContact CZ-OE1 2.64Å; R175-E184 IonicContact NH1-OE1 2.76Å; R175-E184 PolarHBondContact NH1-OE1 3.48Å; R175-E184 IonicContact NH1-OE2 3.74Å; R175-E184 IonicContact NH2-OE1 3.91Å; R175-E184 PolarHBondContact NH2-OE1 3.1Å; R175-F311 HydrophobicContact CB-CB 3.86Å; R175-F311 HydrophobicContact CB-CD1 3.92Å; R175-F311 HydrophobicContact CB-CD2 4.46Å; R175-F311 HydrophobicContact CB-CG 3.85Å
176	M	95.1	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.			trans	-116.9	179.9	169.3	-64.3	-175.8	71.9	0	0	110.5	L171 I267 I268 L275 F311	L171-M176 HydrophobicContact CD1-CG 3.64Å; L171-M176 HydrophobicContact CD1-SD 4.5Å; M176-I267 HydrophobicContact CE-CG2 3.54Å; M176-I268 HydrophobicContact SD-CB 4.31Å; M176-I268 HydrophobicContact SD-CG1 3.74Å; M176-L275 HydrophobicContact CG-CD1 4.08Å; M176-L275 HydrophobicContact CG-CD2 4.36Å; M176-L275 HydrophobicContact SD-CD1 3.86Å; M176-F311 HydrophobicContact CB-CD2 4.35Å; M176-F311 HydrophobicContact CB-CE2 3.73Å; M176-F311 HydrophobicContact CB-CZ 4.33Å; M176-F311 HydrophobicContact CG-CE2 4.15Å; M176-F311 HydrophobicContact CG-CZ 4.26Å
177	F	96.6	Very high	95.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.018	20%	0.2	C	C	.	.			trans	-58.5	153.7	164.7	76.3	-80.6	0	0	0	110.8	I134 A135 H162 L163 L208 M264	I134-F177 HydrophobicContact CG1-CE2 4.08Å; I134-F177 HydrophobicContact CG1-CZ 4.19Å; A135-F177 HydrophobicContact CB-CE1 3.98Å; A135-F177 HydrophobicContact CB-CZ 3.62Å; H162-F177 HydrophobicContact CB-CB 4.04Å; H162-F177 HydrophobicContact CB-CD1 3.68Å; H162-F177 HydrophobicContact CB-CD2 4.26Å; H162-F177 HydrophobicContact CB-CE1 4.2Å; H162-F177 HydrophobicContact CB-CG 3.72Å; H162-F177 AromaticContact CG-CG 3.98Å; L163-F177 HydrophobicContact CB-CB 4.48Å; L163-F177 WeakPolarHBondContact O-CD1 3.29Å; L163-F177 PolarHBondContact O-N 2.92Å; F177-L208 HydrophobicContact CE2-CD1 4.25Å; F177-M264 HydrophobicContact CE1-CE 4.42Å; F177-M264 HydrophobicContact CE1-SD 4.47Å; F177-M264 HydrophobicContact CE2-CE 4.13Å; F177-M264 HydrophobicContact CZ-CE 3.52Å; F177-M264 HydrophobicContact CZ-SD 4.11Å
178	T	96.4	Very high	95.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.17	C	C	.	.			trans	-121.6	178.1	173.7	63.3	0	0	0	0	110.5	G180 C181 F311 H312 Y320 E324	T178-G180 PolarHBondContact O-N 2.81Å; T178-C181 VanDerWaalsContact OG1-CB 3.24Å; T178-C181 WeakPolarHBondContact OG1-CB 3.36Å; T178-C181 PolarHBondContact OG1-N 2.88Å; T178-F311 HydrophobicContact CG2-CB 4.48Å; T178-F311 HydrophobicContact CG2-CD2 4.39Å; T178-H312 PolarHBondContact OG1-CE1 3.17Å; T178-Y320 WeakPolarHBondContact CB-OH 3.39Å; T178-Y320 HydrophobicContact CG2-CE2 4.29Å; T178-E324 WeakPolarHBondContact CB-OE2 3.33Å; T178-E324 PolarHBondContact OG1-OE1 3.09Å; T178-E324 PolarHBondContact OG1-OE2 2.76Å
179	Y	96	Very high	96.1	Very high	36 Å²	36	26.6 Å²	26.6	14%	0.141	13%	0.134	C	C	.	.	S	Bend	trans	-58.3	-31.6	-176.6	177.7	-105.5	0	0	0	114.4	L208 N211 A239 Y320 E324	Y179-L208 HydrophobicContact CD2-CD1 3.98Å; Y179-L208 HydrophobicContact CD2-CG 4.2Å; Y179-N211 WeakPolarHBondContact CD1-ND2 3.36Å; Y179-N211 HydrophobicContact CE1-CB 4.26Å; Y179-N211 WeakPolarHBondContact CE1-ND2 3.14Å; Y179-N211 WeakPolarHBondContact CE1-OD1 3.16Å; Y179-N211 HydrophobicContact CE2-CB 4.48Å; Y179-N211 PolarHBondContact O-ND2 3.11Å; Y179-A239 HydrophobicContact CD1-CB 3.69Å; Y179-A239 HydrophobicContact CE1-CB 3.49Å; Y179-A239 VanDerWaalsContact CE1-CB 3.49Å; Y179-A239 HydrophobicContact CE2-CB 4.42Å; Y179-A239 HydrophobicContact CG-CB 4.26Å; Y179-Y320 WeakPolarHBondContact CB-OH 3.46Å; Y179-Y320 PolarHBondContact N-OH 3.21Å; Y179-E324 HydrophobicContact CD1-CB 4.12Å
180	G	96.7	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-142.9	21	-174.2	0	0	0	0	0	114.1	T178 T182 N211 K215 E324	T178-G180 PolarHBondContact O-N 2.81Å; G180-T182 PolarHBondContact O-N 3.17Å; G180-N211 WeakPolarHBondContact CA-ND2 3.18Å; G180-K215 WeakPolarHBondContact O-CD 3.5Å; G180-K215 WeakPolarHBondContact O-CE 3.2Å; G180-K215 PolarHBondContact O-NZ 3.07Å; G180-E324 WeakPolarHBondContact CA-O 3.37Å; G180-E324 WeakPolarHBondContact CA-OE2 3.46Å; G180-E324 PolarHBondContact N-OE2 2.74Å
181	C	96.9	Very high	96.6	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.034	12%	0.124	C	C	.	.			trans	-61.2	126.4	170.2	-167.9	0	0	0	0	109.4	T178 W183 E184 I212 E324	T178-C181 VanDerWaalsContact OG1-CB 3.24Å; T178-C181 WeakPolarHBondContact OG1-CB 3.36Å; T178-C181 PolarHBondContact OG1-N 2.88Å; C181-W183 VanDerWaalsContact SG-CD2 3.59Å; C181-W183 VanDerWaalsContact SG-CG 3.54Å; C181-E184 PolarHBondContact SG-OE2 3.41Å; C181-I212 WeakPolarHBondContact O-CG2 3.46Å; C181-E324 PolarHBondContact N-OE2 2.82Å
182	T	98.3	Very high	96.8	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.043	12%	0.12	C	C	.	.			trans	-104	-2.1	178.4	56.6	0	0	0	0	112.6	G180 F185 G186 I212 K215 E219	G180-T182 PolarHBondContact O-N 3.17Å; T182-F185 PolarHBondContact O-N 3.12Å; T182-G186 PolarHBondContact O-N 3.37Å; T182-I212 HydrophobicContact CG2-CG2 4.45Å; T182-K215 HydrophobicContact CG2-CB 4.08Å; T182-K215 HydrophobicContact CG2-CD 4.31Å; T182-K215 HydrophobicContact CG2-CG 3.86Å; T182-E219 WeakPolarHBondContact CB-OE2 3.23Å; T182-E219 VanDerWaalsContact OG1-CD 3.31Å; T182-E219 PolarHBondContact OG1-OE1 3.32Å; T182-E219 VanDerWaalsContact OG1-OE1 3.12Å; T182-E219 PolarHBondContact OG1-OE2 2.91Å
183	W	97.7	Very high	97	Very high	126 Å²	126	21.5 Å²	21.5	48%	0.477	10%	0.103	S	C	.	.	H	α-helix	trans	-65.2	-50.9	-171.1	-55.9	-14.7	0	0	0	112.2	M103 C181 F185 G186 A187 H312	M103-W183 HydrophobicContact CE-CB 3.77Å; C181-W183 VanDerWaalsContact SG-CD2 3.59Å; C181-W183 VanDerWaalsContact SG-CG 3.54Å; W183-F185 VanDerWaalsContact C-N 3.34Å; W183-F185 PolarHBondContact O-N 2.79Å; W183-G186 PolarHBondContact O-N 3.41Å; W183-A187 WeakPolarHBondContact O-CB 3.47Å; W183-A187 PolarHBondContact O-N 3.43Å; W183-H312 AromaticContact CH2-CD2 3.5Å; W183-H312 AromaticContact CH2-NE2 3.73Å; W183-H312 AromaticContact CZ3-CD2 3.69Å; W183-H312 AromaticContact CZ3-NE2 3.52Å
184	E	98.3	Very high	97.3	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-39.7	-179.1	-67.4	65.7	-137.3	0	0	111.4	S109 L160 R175 C181 A187 M188	S109-E184 WeakPolarHBondContact OG-CB 3.46Å; L160-E184 HydrophobicContact CD1-CB 3.77Å; L160-E184 HydrophobicContact CD2-CB 4.39Å; R175-E184 IonicContact CZ-OE1 2.64Å; R175-E184 IonicContact NH1-OE1 2.76Å; R175-E184 PolarHBondContact NH1-OE1 3.48Å; R175-E184 IonicContact NH1-OE2 3.74Å; R175-E184 IonicContact NH2-OE1 3.91Å; R175-E184 PolarHBondContact NH2-OE1 3.1Å; C181-E184 PolarHBondContact SG-OE2 3.41Å; E184-A187 PolarHBondContact O-N 2.7Å; E184-M188 PolarHBondContact O-N 3.07Å
185	F	98.8	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-47.7	176.8	-173.9	-102.9	0	0	0	111.4	V129 C131 L160 T182 W183 A187 M188 V189 V203 I212 V213 Y216	V129-F185 HydrophobicContact CB-CE2 4.35Å; V129-F185 HydrophobicContact CB-CZ 4.18Å; V129-F185 HydrophobicContact CG2-CZ 3.92Å; C131-F185 HydrophobicContact CB-CD2 3.94Å; C131-F185 HydrophobicContact CB-CE2 3.98Å; L160-F185 HydrophobicContact CD2-CB 4.16Å; L160-F185 HydrophobicContact CD2-CD2 4.41Å; T182-F185 PolarHBondContact O-N 3.12Å; W183-F185 VanDerWaalsContact C-N 3.34Å; W183-F185 PolarHBondContact O-N 2.79Å; F185-A187 VanDerWaalsContact C-N 3.31Å; F185-A187 PolarHBondContact O-N 3.15Å; F185-M188 HydrophobicContact CD2-CE 3.71Å; F185-M188 HydrophobicContact CE2-CE 3.57Å; F185-M188 WeakPolarHBondContact O-CB 3.27Å; F185-M188 PolarHBondContact O-N 3.04Å; F185-V189 HydrophobicContact CD1-CG2 4.06Å; F185-V189 HydrophobicContact CE1-CG2 3.62Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.81Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.41Å; F185-V203 HydrophobicContact CE1-CG1 4.31Å; F185-V203 HydrophobicContact CZ-CG1 3.94Å; F185-I212 HydrophobicContact CB-CG2 3.92Å; F185-I212 HydrophobicContact CG-CG2 4.26Å; F185-V213 HydrophobicContact CD1-CG1 4.42Å; F185-V213 HydrophobicContact CD2-CG1 4.35Å; F185-V213 HydrophobicContact CE1-CB 4.44Å; F185-V213 HydrophobicContact CE1-CG1 3.89Å; F185-V213 HydrophobicContact CE2-CG1 3.81Å; F185-V213 HydrophobicContact CZ-CB 4.47Å; F185-V213 HydrophobicContact CZ-CG1 3.58Å; F185-Y216 AromaticContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD2 4.29Å; F185-Y216 HydrophobicContact CD1-CE1 4.25Å; F185-Y216 AromaticContact CD1-CG 3.73Å; F185-Y216 HydrophobicContact CD1-CG 3.73Å; F185-Y216 AromaticContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CE1 4.01Å; F185-Y216 HydrophobicContact CE1-CG 4.08Å
186	G	98.6	Very high	97.8	Very high	7 Å²	7	33 Å²	33	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-37.9	176.7	0	0	0	0	0	112.7	T182 W183 V189 N190 Y216	T182-G186 PolarHBondContact O-N 3.37Å; W183-G186 PolarHBondContact O-N 3.41Å; G186-V189 PolarHBondContact O-N 3.19Å; G186-N190 WeakPolarHBondContact O-CB 3.41Å; G186-N190 VanDerWaalsContact O-CG 3.22Å; G186-N190 PolarHBondContact O-N 3.29Å; G186-N190 PolarHBondContact O-ND2 3.33Å; G186-Y216 VanDerWaalsContact CA-CE2 3.46Å
187	A	98.6	Very high	97.9	Very high	19 Å²	19	36.9 Å²	36.9	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-44	174.3	0	0	0	0	0	112.1	I101 M103 W183 E184 F185 N190 Y191	I101-A187 HydrophobicContact CD1-CB 4.08Å; I101-A187 WeakPolarHBondContact CD1-O 3.36Å; I101-A187 HydrophobicContact CG2-CB 4.28Å; M103-A187 HydrophobicContact CE-CB 4.07Å; M103-A187 HydrophobicContact SD-CB 3.79Å; W183-A187 WeakPolarHBondContact O-CB 3.47Å; W183-A187 PolarHBondContact O-N 3.43Å; E184-A187 PolarHBondContact O-N 2.7Å; F185-A187 VanDerWaalsContact C-N 3.31Å; F185-A187 PolarHBondContact O-N 3.15Å; A187-N190 PolarHBondContact O-N 3.26Å; A187-Y191 WeakPolarHBondContact O-CB 3.27Å; A187-Y191 PolarHBondContact O-N 3.39Å
188	M	98.8	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-48.5	173.5	179.3	-176.9	75.3	0	0	111.4	F111 V129 A158 L160 E184 F185 N190 Y191 I192	F111-M188 HydrophobicContact CB-CG 3.94Å; F111-M188 HydrophobicContact CB-SD 3.5Å; F111-M188 WeakPolarHBondContact CB-SD 3.26Å; F111-M188 HydrophobicContact CD1-CB 4.14Å; F111-M188 HydrophobicContact CD1-CG 3.83Å; F111-M188 HydrophobicContact CD2-CG 3.78Å; F111-M188 HydrophobicContact CD2-SD 3.94Å; F111-M188 HydrophobicContact CE1-CG 4.25Å; F111-M188 HydrophobicContact CE2-CG 4.2Å; F111-M188 HydrophobicContact CG-CB 4.3Å; F111-M188 HydrophobicContact CG-CG 3.58Å; F111-M188 HydrophobicContact CG-SD 3.76Å; F111-M188 HydrophobicContact CZ-CG 4.41Å; V129-M188 HydrophobicContact CB-CE 4Å; V129-M188 HydrophobicContact CG1-CE 4.42Å; A158-M188 HydrophobicContact CB-CG 4.3Å; A158-M188 HydrophobicContact CB-SD 4.02Å; L160-M188 HydrophobicContact CB-CE 4.15Å; L160-M188 HydrophobicContact CB-SD 4.04Å; L160-M188 PolarHBondContact N-SD 2.76Å; L160-M188 VanDerWaalsContact N-SD 3.42Å; E184-M188 PolarHBondContact O-N 3.07Å; F185-M188 HydrophobicContact CD2-CE 3.71Å; F185-M188 HydrophobicContact CE2-CE 3.57Å; F185-M188 WeakPolarHBondContact O-CB 3.27Å; F185-M188 PolarHBondContact O-N 3.04Å; M188-N190 VanDerWaalsContact C-N 3.33Å; M188-N190 PolarHBondContact O-N 2.92Å; M188-Y191 WeakPolarHBondContact O-CB 3.47Å; M188-Y191 PolarHBondContact O-N 2.77Å; M188-I192 WeakPolarHBondContact O-CG1 3.32Å; M188-I192 PolarHBondContact O-N 2.77Å
189	V	98.8	Very high	97.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-45.4	178.7	172.2	0	0	0	0	111.2	V129 F185 G186 Y191 I192 K193 L201 Y216	V129-V189 HydrophobicContact CB-CG2 4.24Å; V129-V189 HydrophobicContact CG1-CG2 4.27Å; V129-V189 HydrophobicContact CG2-CG2 4.12Å; F185-V189 HydrophobicContact CD1-CG2 4.06Å; F185-V189 HydrophobicContact CE1-CG2 3.62Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.81Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.41Å; G186-V189 PolarHBondContact O-N 3.19Å; V189-Y191 PolarHBondContact O-N 3.4Å; V189-I192 PolarHBondContact O-N 3.29Å; V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.42Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 2.87Å; V189-L201 HydrophobicContact CG1-CD1 3.8Å; V189-Y216 HydrophobicContact CG1-CE1 4.35Å; V189-Y216 WeakPolarHBondContact CG1-OH 3.21Å; V189-Y216 HydrophobicContact CG2-CE1 4.22Å
190	N	98.3	Very high	98	Very high	92 Å²	92	45.7 Å²	45.7	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-38.6	178.3	-73.5	-21.7	0	0	0	112.3	G186 A187 M188 I192 K194	G186-N190 WeakPolarHBondContact O-CB 3.41Å; G186-N190 VanDerWaalsContact O-CG 3.22Å; G186-N190 PolarHBondContact O-N 3.29Å; G186-N190 PolarHBondContact O-ND2 3.33Å; A187-N190 PolarHBondContact O-N 3.26Å; M188-N190 VanDerWaalsContact C-N 3.33Å; M188-N190 PolarHBondContact O-N 2.92Å; N190-I192 VanDerWaalsContact C-N 3.35Å; N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 PolarHBondContact O-N 2.83Å
191	Y	98.6	Very high	98.1	Very high	70 Å²	70	45.7 Å²	45.7	28%	0.275	23%	0.225	S	C	.	.	H	α-helix	trans	-57.3	-50.3	172	-179.9	-74.1	0	0	0	110.3	I101 F111 A187 M188 V189 K194 T195	I101-Y191 HydrophobicContact CD1-CD2 4.38Å; I101-Y191 HydrophobicContact CD1-CG 4.46Å; I101-Y191 HydrophobicContact CG1-CD2 4.41Å; F111-Y191 HydrophobicContact CE1-CD1 4.14Å; F111-Y191 HydrophobicContact CE1-CD2 4.42Å; F111-Y191 HydrophobicContact CE1-CG 4.05Å; F111-Y191 HydrophobicContact CE2-CD1 4.44Å; F111-Y191 AromaticContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD1 3.45Å; F111-Y191 VanDerWaalsContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD2 4.45Å; F111-Y191 AromaticContact CZ-CE1 3.79Å; F111-Y191 HydrophobicContact CZ-CE1 3.79Å; F111-Y191 AromaticContact CZ-CG 3.85Å; F111-Y191 HydrophobicContact CZ-CG 3.85Å; A187-Y191 WeakPolarHBondContact O-CB 3.27Å; A187-Y191 PolarHBondContact O-N 3.39Å; M188-Y191 WeakPolarHBondContact O-CB 3.47Å; M188-Y191 PolarHBondContact O-N 2.77Å; V189-Y191 PolarHBondContact O-N 3.4Å; Y191-K194 PolarHBondContact O-N 2.88Å; Y191-T195 HydrophobicContact CE1-CG2 4.38Å; Y191-T195 VanDerWaalsContact CE1-OG1 3.23Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.37Å; Y191-T195 WeakPolarHBondContact O-CB 3.35Å; Y191-T195 PolarHBondContact O-N 2.92Å; Y191-T195 PolarHBondContact O-OG1 3.28Å; Y191-T195 VanDerWaalsContact O-OG1 3.11Å
192	I	98.6	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-49.3	-179.2	-65.4	-59.1	0	0	0	111.4	F111 L113 T127 V129 A158 M188 V189 N190 K194 T195 Y196 T199 L201	F111-I192 HydrophobicContact CE2-CD1 4.1Å; F111-I192 HydrophobicContact CZ-CD1 4.45Å; L113-I192 HydrophobicContact CD1-CD1 3.7Å; T127-I192 HydrophobicContact CG2-CG2 3.77Å; V129-I192 HydrophobicContact CG1-CG1 4.36Å; A158-I192 HydrophobicContact CB-CD1 3.73Å; A158-I192 HydrophobicContact CB-CG1 3.85Å; M188-I192 WeakPolarHBondContact O-CG1 3.32Å; M188-I192 PolarHBondContact O-N 2.77Å; V189-I192 PolarHBondContact O-N 3.29Å; N190-I192 VanDerWaalsContact C-N 3.35Å; I192-K194 PolarHBondContact O-N 2.85Å; I192-T195 PolarHBondContact O-N 3.29Å; I192-Y196 HydrophobicContact CD1-CE2 4.38Å; I192-Y196 HydrophobicContact CG2-CD2 4.4Å; I192-Y196 PolarHBondContact O-N 3.22Å; I192-T199 HydrophobicContact CG2-CG2 3.95Å; I192-L201 HydrophobicContact CG2-CD2 3.91Å
193	K	98.2	Very high	98.2	Very high	30 Å²	30	45.1 Å²	45.1	13%	0.13	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-35.2	177.7	-74	179.8	172.7	-175.9	0	112.5	V189 L201 E225	V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.42Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 2.87Å; K193-L201 HydrophobicContact CD-CD1 4.35Å; K193-L201 VanDerWaalsContact CE-CD1 3.48Å; K193-L201 HydrophobicContact CG-CD1 4.02Å; K193-E225 WeakPolarHBondContact CE-O 3.37Å; K193-E225 PolarHBondContact NZ-O 3.42Å
194	K	98	Very high	98.3	Very high	180 Å²	180	39.1 Å²	39.1	78%	0.783	20%	0.199	S	C	*	.	H	α-helix	trans	-77.5	-42.4	178.7	-175.3	180	179	-180	0	112.4	N190 Y191 I192	N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 PolarHBondContact O-N 2.83Å; Y191-K194 PolarHBondContact O-N 2.88Å; I192-K194 PolarHBondContact O-N 2.85Å
195	T	98.2	Very high	98.3	Very high	62 Å²	62	38.8 Å²	38.8	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-73.9	-32.9	-178.1	-59.8	0	0	0	0	112.2	Y191 I192 P197	Y191-T195 HydrophobicContact CE1-CG2 4.38Å; Y191-T195 VanDerWaalsContact CE1-OG1 3.23Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.37Å; Y191-T195 WeakPolarHBondContact O-CB 3.35Å; Y191-T195 PolarHBondContact O-N 2.92Å; Y191-T195 PolarHBondContact O-OG1 3.28Å; Y191-T195 VanDerWaalsContact O-OG1 3.11Å; I192-T195 PolarHBondContact O-N 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.45Å
196	Y	97.9	Very high	98.3	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.173	20%	0.198	C	C	.	.			trans	-125.8	77.9	-179.3	-53.6	-82	0	0	0	110.2	L113 E115 R156 I192 L198 T199	L113-Y196 HydrophobicContact CD2-CE2 4.11Å; L113-Y196 WeakPolarHBondContact CD2-OH 3.1Å; E115-Y196 PolarHBondContact OE1-OH 3.49Å; E115-Y196 VanDerWaalsContact OE1-OH 3.1Å; R156-Y196 VanDerWaalsContact CZ-CE1 3.47Å; R156-Y196 VanDerWaalsContact CZ-CG 3.47Å; R156-Y196 VanDerWaalsContact NH1-CG 3.3Å; I192-Y196 HydrophobicContact CD1-CE2 4.38Å; I192-Y196 HydrophobicContact CG2-CD2 4.4Å; I192-Y196 PolarHBondContact O-N 3.22Å; Y196-L198 PolarHBondContact O-N 3.44Å; Y196-L198 VanDerWaalsContact O-N 3.09Å; Y196-T199 WeakPolarHBondContact O-CB 3.36Å; Y196-T199 WeakPolarHBondContact O-CG2 3.36Å; Y196-T199 PolarHBondContact O-N 3.17Å
197	P	97	Very high	98.2	Very high	82 Å²	82	39.2 Å²	39.2	53%	0.532	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.6	-171.8	-26.3	36	0	0	0	115.1	T195 K226	T195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-K226 PolarHBondContact O-NZ 2.94Å
198	L	95.6	Very high	98.1	Very high	155 Å²	155	38.9 Å²	38.9	81%	0.812	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.6	178.4	-59.1	-179.9	0	0	0	113.1	Y196	Y196-L198 PolarHBondContact O-N 3.44Å; Y196-L198 VanDerWaalsContact O-N 3.09Å
199	T	97.9	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.			trans	-70.3	137	-174.8	-155.3	0	0	0	0	111.3	D125 T127 R156 I192 Y196 L201	D125-T199 VanDerWaalsContact O-CA 3.26Å; D125-T199 WeakPolarHBondContact O-CA 3.49Å; D125-T199 PolarHBondContact O-OG1 3.09Å; D125-T199 WeakPolarHBondContact OD1-CB 3.29Å; D125-T199 PolarHBondContact OD1-OG1 2.48Å; T127-T199 PolarHBondContact N-OG1 3.28Å; T127-T199 PolarHBondContact OG1-OG1 3.22Å; R156-T199 PolarHBondContact NH1-OG1 2.86Å; I192-T199 HydrophobicContact CG2-CG2 3.95Å; Y196-T199 WeakPolarHBondContact O-CB 3.36Å; Y196-T199 WeakPolarHBondContact O-CG2 3.36Å; Y196-T199 PolarHBondContact O-N 3.17Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å
200	Q	98	Very high	98.1	Very high	72 Å²	72	38.8 Å²	38.8	34%	0.336	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	157.1	162.8	-61.4	-71.5	39.1	0	0	109.9	D125 I126 T127 K226 L228	D125-Q200 PolarHBondContact O-N 3.3Å; I126-Q200 WeakPolarHBondContact CA-O 3.5Å; I126-Q200 HydrophobicContact CG1-CB 4.41Å; T127-Q200 PolarHBondContact N-O 3.29Å; Q200-K226 VanDerWaalsContact OE1-CA 3.28Å; Q200-K226 VanDerWaalsContact OE1-CB 3.25Å; Q200-K226 PolarHBondContact OE1-O 3.36Å; Q200-L228 HydrophobicContact CB-CD1 3.62Å; Q200-L228 HydrophobicContact CB-CD2 4.21Å; Q200-L228 HydrophobicContact CB-CG 3.78Å; Q200-L228 HydrophobicContact CG-CD1 4.4Å; Q200-L228 HydrophobicContact CG-CD2 4.33Å; Q200-L228 HydrophobicContact CG-CG 4.43Å
201	L	98.7	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134	-171.5	-57.8	-178.8	0	0	0	112.1	T127 V129 V189 I192 K193 T199 K226 V227 L228	T127-L201 WeakPolarHBondContact O-CA 3.37Å; V129-L201 HydrophobicContact CG1-CD2 4.22Å; V189-L201 HydrophobicContact CG1-CD1 3.8Å; I192-L201 HydrophobicContact CG2-CD2 3.91Å; K193-L201 HydrophobicContact CD-CD1 4.35Å; K193-L201 VanDerWaalsContact CE-CD1 3.48Å; K193-L201 HydrophobicContact CG-CD1 4.02Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å; L201-K226 PolarHBondContact N-O 2.77Å; L201-V227 HydrophobicContact CB-CG2 4.17Å; L201-V227 HydrophobicContact CD1-CG2 4.32Å; L201-V227 CarbonylContact O-C 3.54Å; L201-V227 WeakPolarHBondContact O-CA 3.41Å; L201-L228 PolarHBondContact O-N 3.45Å
202	V	98.8	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.5	161.6	172.1	0	0	0	0	107.1	I126 T127 M128 V129 Y155 V204 A401	I126-V202 HydrophobicContact CG2-CG2 3.91Å; T127-V202 PolarHBondContact O-N 2.87Å; M128-V202 CarbonylContact C-O 3.57Å; M128-V202 VanDerWaalsContact CA-O 3.26Å; M128-V202 WeakPolarHBondContact CA-O 3.05Å; M128-V202 HydrophobicContact CE-CG1 4.21Å; M128-V202 HydrophobicContact CG-CB 3.96Å; M128-V202 HydrophobicContact CG-CG1 4.12Å; V129-V202 PolarHBondContact N-O 2.94Å; Y155-V202 HydrophobicContact CE1-CG2 4.28Å; V202-V204 HydrophobicContact CG1-CG2 4.01Å; V202-A401 HydrophobicContact CG1-CB 3.95Å; V202-A401 HydrophobicContact CG2-CB 4.23Å
203	V	98.9	Very high	98.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.6	-176.7	177.3	0	0	0	0	109.1	V129 F185 V213 L217 V227 C229 C230 V231	V129-V203 HydrophobicContact CG2-CB 4.21Å; V129-V203 HydrophobicContact CG2-CG1 4.49Å; V129-V203 HydrophobicContact CG2-CG2 3.66Å; F185-V203 HydrophobicContact CE1-CG1 4.31Å; F185-V203 HydrophobicContact CZ-CG1 3.94Å; V203-V213 HydrophobicContact CG1-CB 3.52Å; V203-V213 HydrophobicContact CG1-CG1 3.73Å; V203-V213 HydrophobicContact CG1-CG2 4.15Å; V203-L217 HydrophobicContact CB-CD1 4.4Å; V203-L217 HydrophobicContact CG1-CD1 4.28Å; V203-L217 HydrophobicContact CG2-CD1 4.47Å; V203-L217 HydrophobicContact CG2-CD2 4.37Å; V203-V227 HydrophobicContact CB-CG1 4.49Å; V203-V227 HydrophobicContact CG2-CG1 3.72Å; V203-V227 HydrophobicContact CG2-CG2 4Å; V203-C229 PolarHBondContact N-O 2.96Å; V203-C230 HydrophobicContact CB-CB 4.18Å; V203-C230 CarbonylContact O-C 3.55Å; V203-C230 VanDerWaalsContact O-CA 3.26Å; V203-C230 WeakPolarHBondContact O-CA 3.09Å; V203-V231 PolarHBondContact O-N 3.21Å
204	V	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	-178.1	-173.5	0	0	0	0	110.4	V129 I130 C131 F146 V202 F206 V231 V397	V129-V204 PolarHBondContact O-N 3.49Å; I130-V204 CarbonylContact C-O 3.57Å; I130-V204 WeakPolarHBondContact CA-O 3.43Å; I130-V204 HydrophobicContact CG1-CB 4.21Å; C131-V204 PolarHBondContact N-O 3.09Å; F146-V204 HydrophobicContact CE1-CG1 4.24Å; F146-V204 HydrophobicContact CZ-CG1 4.26Å; F146-V204 HydrophobicContact CZ-CG2 4.39Å; V202-V204 HydrophobicContact CG1-CG2 4.01Å; V204-F206 HydrophobicContact CG1-CD2 4.42Å; V204-F206 HydrophobicContact CG1-CE1 4.32Å; V204-F206 HydrophobicContact CG1-CE2 3.74Å; V204-F206 HydrophobicContact CG1-CZ 3.68Å; V204-V231 CarbonylContact C-O 3.59Å; V204-V231 WeakPolarHBondContact CA-O 3.48Å; V204-V397 HydrophobicContact CG1-CG1 4.05Å; V204-V397 HydrophobicContact CG2-CG1 4.02Å
205	G	98.8	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.3	176.9	0	0	0	0	0	112.3	V231 S232 V233	G205-V231 PolarHBondContact N-O 3.26Å; G205-S232 WeakPolarHBondContact O-CA 3.3Å; G205-V233 PolarHBondContact O-N 3.5Å
206	F	98.4	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.2	177.3	-61.6	-76.7	0	0	0	111.1	I130 C131 P132 G133 Y142 I143 F146 V204 L208 G209 V233 L377 M393	I130-F206 HydrophobicContact CG2-CD2 4.13Å; I130-F206 HydrophobicContact CG2-CE2 3.8Å; C131-F206 PolarHBondContact O-N 2.98Å; P132-F206 CarbonylContact C-O 3.49Å; G133-F206 WeakPolarHBondContact CA-O 3.31Å; G133-F206 PolarHBondContact N-O 2.99Å; Y142-F206 HydrophobicContact CE2-CB 4.06Å; Y142-F206 HydrophobicContact CE2-CD1 4.46Å; Y142-F206 AromaticContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CE2 4.45Å; Y142-F206 AromaticContact CE2-CG 3.88Å; Y142-F206 HydrophobicContact CE2-CG 3.88Å; I143-F206 HydrophobicContact CD1-CD2 4.02Å; I143-F206 HydrophobicContact CD1-CE2 4.16Å; F146-F206 HydrophobicContact CD1-CE2 4.02Å; F146-F206 AromaticContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD2-CZ 4.29Å; F146-F206 HydrophobicContact CE1-CE2 4.26Å; F146-F206 HydrophobicContact CE1-CZ 4.09Å; F146-F206 HydrophobicContact CE2-CZ 4.46Å; F146-F206 HydrophobicContact CG-CE2 4.49Å; F146-F206 HydrophobicContact CG-CZ 4.02Å; F146-F206 HydrophobicContact CZ-CZ 4.37Å; V204-F206 HydrophobicContact CG1-CD2 4.42Å; V204-F206 HydrophobicContact CG1-CE1 4.32Å; V204-F206 HydrophobicContact CG1-CE2 3.74Å; V204-F206 HydrophobicContact CG1-CZ 3.68Å; F206-L208 PolarHBondContact O-N 3.23Å; F206-G209 WeakPolarHBondContact O-CA 3.45Å; F206-G209 PolarHBondContact O-N 3.34Å; F206-V233 HydrophobicContact CD1-CB 4.06Å; F206-V233 HydrophobicContact CD1-CG2 4.28Å; F206-V233 HydrophobicContact CE1-CB 4.46Å; F206-V233 HydrophobicContact CE1-CG2 4.22Å; F206-L377 HydrophobicContact CB-CD1 4.4Å; F206-L377 HydrophobicContact CB-CD2 4.16Å; F206-L377 HydrophobicContact CD1-CD2 4.03Å; F206-M393 HydrophobicContact CD1-CE 4.03Å; F206-M393 HydrophobicContact CD1-SD 4.01Å; F206-M393 HydrophobicContact CE1-CE 3.58Å; F206-M393 HydrophobicContact CE1-SD 3.84Å; F206-M393 HydrophobicContact CZ-CE 4.47Å
207	S	96.9	Very high	98.3	Very high	16 Å²	16	17 Å²	17	11%	0.112	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-117.7	179.4	-177	0	0	0	0	111.3	G209 G210 V233 Q235 H376	S207-G209 PolarHBondContact O-N 3.44Å; S207-G210 WeakPolarHBondContact O-CA 3.39Å; S207-G210 PolarHBondContact O-N 2.93Å; S207-V233 PolarHBondContact N-O 2.8Å; S207-Q235 WeakPolarHBondContact O-CB 3.33Å; S207-H376 WeakPolarHBondContact CB-NE2 3.39Å; S207-H376 PolarHBondContact OG-CE1 3.17Å; S207-H376 PolarHBondContact OG-NE2 3.36Å
208	L	97.4	Very high	98.4	Very high	11 Å²	11	13.2 Å²	13.2	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-53.1	-37.8	172.1	-177.7	150.6	0	0	0	112.8	I134 F177 Y179 F206 G210 N211 I212	I134-L208 HydrophobicContact CB-CB 4.09Å; I134-L208 HydrophobicContact CB-CD1 3.75Å; I134-L208 HydrophobicContact CD1-CD1 4Å; I134-L208 HydrophobicContact CG1-CD1 3.77Å; F177-L208 HydrophobicContact CE2-CD1 4.25Å; Y179-L208 HydrophobicContact CD2-CD1 3.98Å; Y179-L208 HydrophobicContact CD2-CG 4.2Å; F206-L208 PolarHBondContact O-N 3.23Å; L208-G210 PolarHBondContact O-N 3.4Å; L208-N211 WeakPolarHBondContact O-CB 3.36Å; L208-N211 PolarHBondContact O-N 2.97Å; L208-I212 HydrophobicContact CD2-CD1 3.43Å; L208-I212 VanDerWaalsContact CD2-CD1 3.43Å; L208-I212 HydrophobicContact CD2-CG1 4.14Å; L208-I212 PolarHBondContact O-N 3.16Å; L208-I212 VanDerWaalsContact O-N 3.14Å
209	G	98.6	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.8	-29.2	176.1	0	0	0	0	0	113	C131 P132 F206 S207 N211 I212 V213	C131-G209 WeakPolarHBondContact SG-CA 3.4Å; P132-G209 VanDerWaalsContact O-CA 3.27Å; P132-G209 WeakPolarHBondContact O-CA 3.39Å; P132-G209 PolarHBondContact O-N 2.86Å; F206-G209 WeakPolarHBondContact O-CA 3.45Å; F206-G209 PolarHBondContact O-N 3.34Å; S207-G209 PolarHBondContact O-N 3.44Å; G209-N211 VanDerWaalsContact C-N 3.34Å; G209-I212 PolarHBondContact O-N 2.85Å; G209-V213 WeakPolarHBondContact O-CG1 3.39Å; G209-V213 WeakPolarHBondContact O-CG2 3.47Å; G209-V213 PolarHBondContact O-N 2.75Å
210	G	98.6	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.2	-39.6	171.7	0	0	0	0	0	113	S207 L208 V213 C214 S232 Q235	S207-G210 WeakPolarHBondContact O-CA 3.39Å; S207-G210 PolarHBondContact O-N 2.93Å; L208-G210 PolarHBondContact O-N 3.4Å; G210-V213 WeakPolarHBondContact O-CG2 3.42Å; G210-C214 WeakPolarHBondContact O-CB 3.37Å; G210-C214 PolarHBondContact O-N 2.92Å; G210-C214 PolarHBondContact O-SG 3.23Å; G210-C214 VanDerWaalsContact O-SG 3.38Å; G210-S232 WeakPolarHBondContact CA-OG 3.13Å; G210-Q235 PolarHBondContact O-OE1 3.42Å
211	N	98.7	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.3	-47.9	173.2	179.3	78.3	0	0	0	111	Y179 G180 L208 G209 V213 C214 K215 E324 C326	Y179-N211 WeakPolarHBondContact CD1-ND2 3.36Å; Y179-N211 HydrophobicContact CE1-CB 4.26Å; Y179-N211 WeakPolarHBondContact CE1-ND2 3.14Å; Y179-N211 WeakPolarHBondContact CE1-OD1 3.16Å; Y179-N211 HydrophobicContact CE2-CB 4.48Å; Y179-N211 PolarHBondContact O-ND2 3.11Å; G180-N211 WeakPolarHBondContact CA-ND2 3.18Å; L208-N211 WeakPolarHBondContact O-CB 3.36Å; L208-N211 PolarHBondContact O-N 2.97Å; G209-N211 VanDerWaalsContact C-N 3.34Å; N211-V213 PolarHBondContact O-N 3.16Å; N211-C214 PolarHBondContact O-N 2.66Å; N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.46Å; N211-K215 PolarHBondContact O-N 2.88Å; N211-E324 PolarHBondContact ND2-O 3.29Å; N211-C326 VanDerWaalsContact O-CB 3.25Å; N211-C326 WeakPolarHBondContact O-CB 3.33Å; N211-C326 WeakPolarHBondContact OD1-CB 3.45Å; N211-C326 PolarHBondContact OD1-N 3.2Å
212	I	98.8	Very high	98.4	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-49.4	-179.7	-70.7	174	0	0	0	111.5	C181 T182 F185 L208 G209 C214 K215 Y216	C181-I212 WeakPolarHBondContact O-CG2 3.46Å; T182-I212 HydrophobicContact CG2-CG2 4.45Å; F185-I212 HydrophobicContact CB-CG2 3.92Å; F185-I212 HydrophobicContact CG-CG2 4.26Å; L208-I212 HydrophobicContact CD2-CD1 3.43Å; L208-I212 VanDerWaalsContact CD2-CD1 3.43Å; L208-I212 HydrophobicContact CD2-CG1 4.14Å; L208-I212 PolarHBondContact O-N 3.16Å; L208-I212 VanDerWaalsContact O-N 3.14Å; G209-I212 PolarHBondContact O-N 2.85Å; I212-C214 PolarHBondContact O-N 3.3Å; I212-K215 PolarHBondContact O-N 3.04Å; I212-Y216 WeakPolarHBondContact O-CB 3.49Å; I212-Y216 PolarHBondContact O-N 3.18Å
213	V	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-39.7	-176.3	-61.4	0	0	0	0	112.4	C131 F185 V203 G209 G210 N211 Y216 L217	C131-V213 HydrophobicContact CB-CG1 3.53Å; F185-V213 HydrophobicContact CD1-CG1 4.42Å; F185-V213 HydrophobicContact CD2-CG1 4.35Å; F185-V213 HydrophobicContact CE1-CB 4.44Å; F185-V213 HydrophobicContact CE1-CG1 3.89Å; F185-V213 HydrophobicContact CE2-CG1 3.81Å; F185-V213 HydrophobicContact CZ-CB 4.47Å; F185-V213 HydrophobicContact CZ-CG1 3.58Å; V203-V213 HydrophobicContact CG1-CB 3.52Å; V203-V213 HydrophobicContact CG1-CG1 3.73Å; V203-V213 HydrophobicContact CG1-CG2 4.15Å; G209-V213 WeakPolarHBondContact O-CG1 3.39Å; G209-V213 WeakPolarHBondContact O-CG2 3.47Å; G209-V213 PolarHBondContact O-N 2.75Å; G210-V213 WeakPolarHBondContact O-CG2 3.42Å; N211-V213 PolarHBondContact O-N 3.16Å; V213-Y216 PolarHBondContact O-N 3Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.81Å
214	C	98.9	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.7	-41.6	175.7	-74.7	0	0	0	0	111.4	G210 N211 I212 G218 Q235 C326 L330 I333	G210-C214 WeakPolarHBondContact O-CB 3.37Å; G210-C214 PolarHBondContact O-N 2.92Å; G210-C214 PolarHBondContact O-SG 3.23Å; G210-C214 VanDerWaalsContact O-SG 3.38Å; N211-C214 PolarHBondContact O-N 2.66Å; I212-C214 PolarHBondContact O-N 3.3Å; C214-G218 PolarHBondContact O-N 2.99Å; C214-G218 VanDerWaalsContact O-N 3.07Å; C214-Q235 PolarHBondContact SG-NE2 3.17Å; C214-Q235 VanDerWaalsContact SG-NE2 3.37Å; C214-C326 HydrophobicContact CB-CB 3.69Å; C214-L330 HydrophobicContact CB-CD2 3.74Å; C214-I333 HydrophobicContact CB-CD1 4.1Å; C214-I333 WeakPolarHBondContact O-CD1 3.23Å
215	K	98.8	Very high	98.3	Very high	12 Å²	12	23.3 Å²	23.3	5%	0.052	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-50	174.8	179.7	166.4	170.3	-76.8	0	110.7	G180 T182 N211 I212 L217 G218 E219 E323 C326 Y329	G180-K215 WeakPolarHBondContact O-CD 3.5Å; G180-K215 WeakPolarHBondContact O-CE 3.2Å; G180-K215 PolarHBondContact O-NZ 3.07Å; T182-K215 HydrophobicContact CG2-CB 4.08Å; T182-K215 HydrophobicContact CG2-CD 4.31Å; T182-K215 HydrophobicContact CG2-CG 3.86Å; N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.46Å; N211-K215 PolarHBondContact O-N 2.88Å; I212-K215 PolarHBondContact O-N 3.04Å; K215-L217 PolarHBondContact O-N 3.21Å; K215-G218 CarbonylContact O-C 3.45Å; K215-G218 PolarHBondContact O-N 3.48Å; K215-G218 VanDerWaalsContact O-N 3.12Å; K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 HydrophobicContact CG-CG 4.24Å; K215-E219 IonicContact NZ-OE1 2.82Å; K215-E219 PolarHBondContact NZ-OE1 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.31Å; K215-E219 WeakPolarHBondContact O-CG 3.32Å; K215-E219 PolarHBondContact O-N 2.92Å; K215-E323 WeakPolarHBondContact CE-O 3.19Å; K215-C326 HydrophobicContact CB-CB 3.97Å; K215-Y329 HydrophobicContact CD-CD2 4.36Å; K215-Y329 HydrophobicContact CD-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CD1 4.42Å; K215-Y329 HydrophobicContact CG-CD2 3.96Å; K215-Y329 HydrophobicContact CG-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CG 4.18Å
216	Y	98.8	Very high	98.2	Very high	6 Å²	6	27.3 Å²	27.3	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-53.6	-50.6	178.7	171.4	-104	0	0	0	112.2	F185 G186 V189 I212 V213 G218 E219 N223	F185-Y216 AromaticContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD2 4.29Å; F185-Y216 HydrophobicContact CD1-CE1 4.25Å; F185-Y216 AromaticContact CD1-CG 3.73Å; F185-Y216 HydrophobicContact CD1-CG 3.73Å; F185-Y216 AromaticContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CE1 4.01Å; F185-Y216 HydrophobicContact CE1-CG 4.08Å; G186-Y216 VanDerWaalsContact CA-CE2 3.46Å; V189-Y216 HydrophobicContact CG1-CE1 4.35Å; V189-Y216 WeakPolarHBondContact CG1-OH 3.21Å; V189-Y216 HydrophobicContact CG2-CE1 4.22Å; I212-Y216 WeakPolarHBondContact O-CB 3.49Å; I212-Y216 PolarHBondContact O-N 3.18Å; V213-Y216 PolarHBondContact O-N 3Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.05Å; Y216-E219 PolarHBondContact O-N 3.21Å; Y216-N223 HydrophobicContact CD1-CB 4.2Å; Y216-N223 HydrophobicContact CD2-CB 4.43Å; Y216-N223 HydrophobicContact CE1-CB 3.77Å; Y216-N223 HydrophobicContact CE2-CB 4Å; Y216-N223 WeakPolarHBondContact CE2-OD1 3.45Å; Y216-N223 VanDerWaalsContact CZ-CG 3.49Å; Y216-N223 WeakPolarHBondContact O-CB 3.32Å; Y216-N223 PolarHBondContact O-ND2 3.22Å; Y216-N223 PolarHBondContact OH-OD1 3.21Å
217	L	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-36.2	179.6	-67.3	176.5	0	0	0	112.6	V203 V213 K215 N223 Q224 V227 C230 I333 V335	V203-L217 HydrophobicContact CB-CD1 4.4Å; V203-L217 HydrophobicContact CG1-CD1 4.28Å; V203-L217 HydrophobicContact CG2-CD1 4.47Å; V203-L217 HydrophobicContact CG2-CD2 4.37Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.81Å; K215-L217 PolarHBondContact O-N 3.21Å; L217-N223 WeakPolarHBondContact CD2-O 3.33Å; L217-Q224 HydrophobicContact CB-CG 4.18Å; L217-Q224 HydrophobicContact CD2-CG 4.07Å; L217-Q224 WeakPolarHBondContact O-CG 3.25Å; L217-Q224 PolarHBondContact O-NE2 2.88Å; L217-V227 HydrophobicContact CD2-CG1 4.41Å; L217-V227 HydrophobicContact CD2-CG2 4.04Å; L217-C230 HydrophobicContact CD1-CB 3.5Å; L217-C230 VanDerWaalsContact CD1-CB 3.5Å; L217-I333 HydrophobicContact CB-CD1 4.29Å; L217-I333 HydrophobicContact CB-CG1 4.08Å; L217-I333 HydrophobicContact CB-CG2 4.45Å; L217-V335 HydrophobicContact CD1-CG2 4.32Å
218	G	98.5	Very high	98.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-85.4	-2.9	179.8	0	0	0	0	0	114.8	C214 K215 Y216 R332	C214-G218 PolarHBondContact O-N 2.99Å; C214-G218 VanDerWaalsContact O-N 3.07Å; K215-G218 CarbonylContact O-C 3.45Å; K215-G218 PolarHBondContact O-N 3.48Å; K215-G218 VanDerWaalsContact O-N 3.12Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.05Å; G218-R332 VanDerWaalsContact O-CZ 3.24Å; G218-R332 PolarHBondContact O-NE 2.78Å; G218-R332 PolarHBondContact O-NH2 2.96Å
219	E	98.5	Very high	98.4	Very high	55 Å²	55	27.6 Å²	27.6	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-72.9	-45.2	175.6	-85.5	169.2	167	0	0	111.9	T182 K215 Y216 Y329	T182-E219 WeakPolarHBondContact CB-OE2 3.23Å; T182-E219 VanDerWaalsContact OG1-CD 3.31Å; T182-E219 PolarHBondContact OG1-OE1 3.32Å; T182-E219 VanDerWaalsContact OG1-OE1 3.12Å; T182-E219 PolarHBondContact OG1-OE2 2.91Å; K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 HydrophobicContact CG-CG 4.24Å; K215-E219 IonicContact NZ-OE1 2.82Å; K215-E219 PolarHBondContact NZ-OE1 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.31Å; K215-E219 WeakPolarHBondContact O-CG 3.32Å; K215-E219 PolarHBondContact O-N 2.92Å; Y216-E219 PolarHBondContact O-N 3.21Å; E219-Y329 HydrophobicContact CG-CD1 3.88Å; E219-Y329 HydrophobicContact CG-CE1 3.85Å
220	T	97.9	Very high	98.4	Very high	68 Å²	68	27.6 Å²	27.6	42%	0.417	14%	0.143	S	C	.	.			trans	-146.4	152.8	-179.9	73.2	0	0	0	0	111.3	A222 N223	T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.11Å; T220-N223 PolarHBondContact O-N 3.18Å; T220-N223 PolarHBondContact OG1-N 2.75Å; T220-N223 PolarHBondContact OG1-ND2 2.95Å; T220-N223 PolarHBondContact OG1-OD1 3.38Å
221	Q	97.3	Very high	98.4	Very high	110 Å²	110	27.6 Å²	27.6	51%	0.514	14%	0.143	S	C	.	.	S	Bend	trans	-65.4	-33.1	174.7	-168.8	60.8	35.6	0	0	112.3	N223 Q224	Q221-N223 PolarHBondContact O-N 3.2Å; Q221-Q224 WeakPolarHBondContact O-CB 3.35Å; Q221-Q224 PolarHBondContact O-N 3.31Å
222	A	98	Very high	98.4	Very high	50 Å²	50	27.6 Å²	27.6	41%	0.413	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-60.5	-31.3	178.3	0	0	0	0	0	112.5	T220 Q224 E225	T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.11Å; A222-Q224 PolarHBondContact O-N 3.03Å; A222-E225 WeakPolarHBondContact O-CB 3.27Å; A222-E225 WeakPolarHBondContact O-CG 3.37Å; A222-E225 PolarHBondContact O-N 2.94Å
223	N	98.5	Very high	98.4	Very high	26 Å²	26	27.5 Å²	27.5	14%	0.139	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.5	175.4	-70.1	-17.7	0	0	0	112.9	Y216 L217 T220 Q221	Y216-N223 HydrophobicContact CD1-CB 4.2Å; Y216-N223 HydrophobicContact CD2-CB 4.43Å; Y216-N223 HydrophobicContact CE1-CB 3.77Å; Y216-N223 HydrophobicContact CE2-CB 4Å; Y216-N223 WeakPolarHBondContact CE2-OD1 3.45Å; Y216-N223 VanDerWaalsContact CZ-CG 3.49Å; Y216-N223 WeakPolarHBondContact O-CB 3.32Å; Y216-N223 PolarHBondContact O-ND2 3.22Å; Y216-N223 PolarHBondContact OH-OD1 3.21Å; L217-N223 WeakPolarHBondContact CD2-O 3.33Å; T220-N223 PolarHBondContact O-N 3.18Å; T220-N223 PolarHBondContact OG1-N 2.75Å; T220-N223 PolarHBondContact OG1-ND2 2.95Å; T220-N223 PolarHBondContact OG1-OD1 3.38Å; Q221-N223 PolarHBondContact O-N 3.2Å
224	Q	98.5	Very high	98.3	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-91.8	-7.2	179.4	-62.2	174.6	63.6	0	0	113.3	L217 Q221 A222 K226 V227 R332 V335	L217-Q224 HydrophobicContact CB-CG 4.18Å; L217-Q224 HydrophobicContact CD2-CG 4.07Å; L217-Q224 WeakPolarHBondContact O-CG 3.25Å; L217-Q224 PolarHBondContact O-NE2 2.88Å; Q221-Q224 WeakPolarHBondContact O-CB 3.35Å; Q221-Q224 PolarHBondContact O-N 3.31Å; A222-Q224 PolarHBondContact O-N 3.03Å; Q224-K226 PolarHBondContact O-N 3.43Å; Q224-V227 WeakPolarHBondContact O-CB 3.49Å; Q224-V227 PolarHBondContact O-N 2.64Å; Q224-V227 VanDerWaalsContact O-N 3.11Å; Q224-R332 PolarHBondContact NE2-O 2.78Å; Q224-V335 HydrophobicContact CB-CG1 4.12Å
225	E	97.3	Very high	98.2	Very high	123 Å²	123	27.5 Å²	27.5	58%	0.575	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	135	175.6	-69.6	174.7	-171.8	0	0	110.9	K193 A222 V227	K193-E225 WeakPolarHBondContact CE-O 3.37Å; K193-E225 PolarHBondContact NZ-O 3.42Å; A222-E225 WeakPolarHBondContact O-CB 3.27Å; A222-E225 WeakPolarHBondContact O-CG 3.37Å; A222-E225 PolarHBondContact O-N 2.94Å; E225-V227 PolarHBondContact O-N 3.37Å
226	K	96.6	Very high	98.1	Very high	84 Å²	84	27.6 Å²	27.6	37%	0.365	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	5.8	-176.8	-55.6	-174	-179.6	-179.4	0	115.4	P197 Q200 L201 Q224	P197-K226 PolarHBondContact O-NZ 2.94Å; Q200-K226 VanDerWaalsContact OE1-CA 3.28Å; Q200-K226 VanDerWaalsContact OE1-CB 3.25Å; Q200-K226 PolarHBondContact OE1-O 3.36Å; L201-K226 PolarHBondContact N-O 2.77Å; Q224-K226 PolarHBondContact O-N 3.43Å
227	V	98.6	Very high	98	Very high	13 Å²	13	27.3 Å²	27.3	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.8	177.4	178.9	0	0	0	0	109.2	L201 V203 L217 Q224 E225 C229 V335	L201-V227 HydrophobicContact CB-CG2 4.17Å; L201-V227 HydrophobicContact CD1-CG2 4.32Å; L201-V227 CarbonylContact O-C 3.54Å; L201-V227 WeakPolarHBondContact O-CA 3.41Å; V203-V227 HydrophobicContact CB-CG1 4.49Å; V203-V227 HydrophobicContact CG2-CG1 3.72Å; V203-V227 HydrophobicContact CG2-CG2 4Å; L217-V227 HydrophobicContact CD2-CG1 4.41Å; L217-V227 HydrophobicContact CD2-CG2 4.04Å; Q224-V227 WeakPolarHBondContact O-CB 3.49Å; Q224-V227 PolarHBondContact O-N 2.64Å; Q224-V227 VanDerWaalsContact O-N 3.11Å; E225-V227 PolarHBondContact O-N 3.37Å; V227-C229 WeakPolarHBondContact CG1-O 3.34Å; V227-V335 HydrophobicContact CB-CG1 4.15Å; V227-V335 HydrophobicContact CG1-CB 4.37Å; V227-V335 HydrophobicContact CG1-CG1 4.25Å; V227-V335 HydrophobicContact CG1-CG2 4Å; V227-V335 VanDerWaalsContact O-CG1 3.28Å; V227-V335 WeakPolarHBondContact O-CG1 3.31Å
228	L	98.3	Very high	98	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-43.6	176.1	-65.3	172.2	0	0	0	111.3	I126 Q200 L201 P336 I404 E408	I126-L228 HydrophobicContact CD1-CD1 4.46Å; I126-L228 HydrophobicContact CG1-CD1 4.34Å; I126-L228 HydrophobicContact CG2-CD1 4.32Å; Q200-L228 HydrophobicContact CB-CD1 3.62Å; Q200-L228 HydrophobicContact CB-CD2 4.21Å; Q200-L228 HydrophobicContact CB-CG 3.78Å; Q200-L228 HydrophobicContact CG-CD1 4.4Å; Q200-L228 HydrophobicContact CG-CD2 4.33Å; Q200-L228 HydrophobicContact CG-CG 4.43Å; L201-L228 PolarHBondContact O-N 3.45Å; L228-P336 VanDerWaalsContact O-CD 3.3Å; L228-P336 WeakPolarHBondContact O-CD 3.46Å; L228-I404 HydrophobicContact CB-CG2 4Å; L228-I404 WeakPolarHBondContact O-CG2 3.37Å; L228-E408 HydrophobicContact CD2-CB 4.22Å; L228-E408 HydrophobicContact CD2-CG 4Å
229	C	98.7	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	168.8	175.2	59.3	0	0	0	0	112.2	V203 V227 P336 Y400 I404	V203-C229 PolarHBondContact N-O 2.96Å; V227-C229 WeakPolarHBondContact CG1-O 3.34Å; C229-P336 CarbonylContact C-O 3.6Å; C229-P336 WeakPolarHBondContact CA-O 3.19Å; C229-P336 HydrophobicContact CB-CB 3.96Å; C229-P336 WeakPolarHBondContact CB-O 3.48Å; C229-Y400 HydrophobicContact CB-CE1 3.95Å; C229-I404 HydrophobicContact CB-CB 4.32Å; C229-I404 HydrophobicContact CB-CG1 3.95Å; C229-I404 HydrophobicContact CB-CG2 3.92Å
230	C	98.9	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.2	170.6	-178.1	0	0	0	0	110.4	V203 L217 P336 L337 M338	V203-C230 HydrophobicContact CB-CB 4.18Å; V203-C230 CarbonylContact O-C 3.55Å; V203-C230 VanDerWaalsContact O-CA 3.26Å; V203-C230 WeakPolarHBondContact O-CA 3.09Å; L217-C230 HydrophobicContact CD1-CB 3.5Å; L217-C230 VanDerWaalsContact CD1-CB 3.5Å; C230-P336 PolarHBondContact N-O 2.96Å; C230-L337 HydrophobicContact CB-CD1 3.7Å; C230-L337 CarbonylContact O-C 3.58Å; C230-L337 WeakPolarHBondContact O-CA 3.3Å; C230-M338 PolarHBondContact O-N 3.3Å
231	V	98.9	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.3	172.3	-173.3	0	0	0	0	108.8	V203 V204 G205 V233 M338 V397 Y400	V203-V231 PolarHBondContact O-N 3.21Å; V204-V231 CarbonylContact C-O 3.59Å; V204-V231 WeakPolarHBondContact CA-O 3.48Å; G205-V231 PolarHBondContact N-O 3.26Å; V231-V233 HydrophobicContact CG1-CG2 4.13Å; V231-M338 WeakPolarHBondContact CA-O 3.27Å; V231-M338 HydrophobicContact CB-CE 4.38Å; V231-M338 HydrophobicContact CG1-CB 4.43Å; V231-M338 HydrophobicContact CG1-CE 3.51Å; V231-M338 HydrophobicContact CG2-CB 4.37Å; V231-M338 HydrophobicContact CG2-CE 3.93Å; V231-V397 HydrophobicContact CB-CG1 4.25Å; V231-V397 HydrophobicContact CG1-CB 4.43Å; V231-V397 HydrophobicContact CG1-CG1 4.22Å; V231-V397 HydrophobicContact CG1-CG2 3.81Å; V231-V397 HydrophobicContact CG2-CG1 4.36Å; V231-Y400 HydrophobicContact CG2-CD1 3.57Å; V231-Y400 HydrophobicContact CG2-CE1 3.87Å
232	S	98.7	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.3	176.3	-179.3	0	0	0	0	110.4	G205 G210 Q235 M338 V340	G205-S232 WeakPolarHBondContact O-CA 3.3Å; G210-S232 WeakPolarHBondContact CA-OG 3.13Å; S232-Q235 VanDerWaalsContact CB-NE2 3.31Å; S232-Q235 WeakPolarHBondContact OG-CG 3.15Å; S232-Q235 PolarHBondContact OG-NE2 3.35Å; S232-M338 PolarHBondContact N-O 3.19Å; S232-V340 PolarHBondContact O-N 3.35Å
233	V	98.6	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.1	-174.4	-169.4	0	0	0	0	112	G205 F206 S207 V231 Q235 V340 L377 F379 M393 V397	G205-V233 PolarHBondContact O-N 3.5Å; F206-V233 HydrophobicContact CD1-CB 4.06Å; F206-V233 HydrophobicContact CD1-CG2 4.28Å; F206-V233 HydrophobicContact CE1-CB 4.46Å; F206-V233 HydrophobicContact CE1-CG2 4.22Å; S207-V233 PolarHBondContact N-O 2.8Å; V231-V233 HydrophobicContact CG1-CG2 4.13Å; V233-Q235 PolarHBondContact O-N 3.08Å; V233-V340 CarbonylContact C-O 3.49Å; V233-V340 WeakPolarHBondContact CA-O 3.21Å; V233-V340 HydrophobicContact CB-CB 4.47Å; V233-V340 HydrophobicContact CG1-CB 4.12Å; V233-V340 HydrophobicContact CG1-CG1 4.31Å; V233-V340 HydrophobicContact CG2-CB 4.27Å; V233-V340 HydrophobicContact CG2-CG2 4.46Å; V233-L377 HydrophobicContact CG1-CD2 4.21Å; V233-F379 HydrophobicContact CG1-CE2 3.91Å; V233-F379 HydrophobicContact CG1-CZ 4.48Å; V233-M393 HydrophobicContact CB-CG 4.48Å; V233-M393 HydrophobicContact CB-SD 4.06Å; V233-M393 HydrophobicContact CG1-CG 3.83Å; V233-M393 HydrophobicContact CG1-SD 3.41Å; V233-M393 WeakPolarHBondContact CG1-SD 3.13Å; V233-M393 HydrophobicContact CG2-CG 4.16Å; V233-M393 HydrophobicContact CG2-SD 4.3Å; V233-V397 HydrophobicContact CG2-CG2 4.05Å
234	C	97.8	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	53.7	29.9	178.1	-71.6	0	0	0	0	114.1	V340 H376 L377 F379	C234-V340 PolarHBondContact N-O 3.4Å; C234-H376 PolarHBondContact O-CE1 3.44Å; C234-L377 HydrophobicContact CB-CD2 3.81Å; C234-L377 HydrophobicContact CB-CG 4.17Å; C234-L377 PolarHBondContact SG-N 3.45Å; C234-F379 VanDerWaalsContact SG-CE2 3.55Å
235	Q	96.6	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.			trans	-76.9	157.1	176.6	74.5	167.1	-48.4	0	0	112.2	S207 G210 C214 S232 V233 Y237 C326 N341	S207-Q235 WeakPolarHBondContact O-CB 3.33Å; G210-Q235 PolarHBondContact O-OE1 3.42Å; C214-Q235 PolarHBondContact SG-NE2 3.17Å; C214-Q235 VanDerWaalsContact SG-NE2 3.37Å; S232-Q235 VanDerWaalsContact CB-NE2 3.31Å; S232-Q235 WeakPolarHBondContact OG-CG 3.15Å; S232-Q235 PolarHBondContact OG-NE2 3.35Å; V233-Q235 PolarHBondContact O-N 3.08Å; Q235-Y237 VanDerWaalsContact CD-CD1 3.46Å; Q235-Y237 HydrophobicContact CG-CD1 3.74Å; Q235-Y237 HydrophobicContact CG-CD2 4.23Å; Q235-Y237 HydrophobicContact CG-CE1 3.44Å; Q235-Y237 VanDerWaalsContact CG-CE1 3.44Å; Q235-Y237 HydrophobicContact CG-CE2 3.94Å; Q235-Y237 HydrophobicContact CG-CG 4.12Å; Q235-Y237 VanDerWaalsContact NE2-CE1 3.27Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.44Å; Q235-C326 PolarHBondContact OE1-SG 3.04Å; Q235-N341 PolarHBondContact O-ND2 3.42Å; Q235-N341 VanDerWaalsContact O-ND2 3.11Å
236	G	95.8	Very high	95.4	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	12%	0.117	C	C	.	.			trans	-94.3	-10.6	178	0	0	0	0	0	115.5	S238	G236-S238 PolarHBondContact O-N 3.14Å
237	Y	97.9	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	63	-41	179.2	-50.2	-82.5	0	0	0	117.2	Q235 M327 L330 L339 N341 I355 P356	Q235-Y237 VanDerWaalsContact CD-CD1 3.46Å; Q235-Y237 HydrophobicContact CG-CD1 3.74Å; Q235-Y237 HydrophobicContact CG-CD2 4.23Å; Q235-Y237 HydrophobicContact CG-CE1 3.44Å; Q235-Y237 VanDerWaalsContact CG-CE1 3.44Å; Q235-Y237 HydrophobicContact CG-CE2 3.94Å; Q235-Y237 HydrophobicContact CG-CG 4.12Å; Q235-Y237 VanDerWaalsContact NE2-CE1 3.27Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.44Å; Y237-M327 WeakPolarHBondContact O-CB 3.46Å; Y237-M327 PolarHBondContact O-N 3.07Å; Y237-M327 VanDerWaalsContact O-N 3.11Å; Y237-L330 HydrophobicContact CD1-CD1 4.13Å; Y237-L339 HydrophobicContact CE1-CD1 4.05Å; Y237-L339 HydrophobicContact CE1-CD2 4.15Å; Y237-N341 WeakPolarHBondContact CE2-OD1 3.45Å; Y237-N341 PolarHBondContact OH-OD1 2.78Å; Y237-I355 HydrophobicContact CD1-CG2 4.36Å; Y237-I355 HydrophobicContact CG-CB 4.34Å; Y237-I355 HydrophobicContact CG-CG2 4.19Å; Y237-P356 HydrophobicContact CD2-CG 4.43Å; Y237-P356 HydrophobicContact CE1-CB 4.04Å; Y237-P356 HydrophobicContact CE1-CG 4.27Å; Y237-P356 HydrophobicContact CE2-CB 4.33Å; Y237-P356 HydrophobicContact CE2-CG 3.67Å
238	S	97.4	Very high	93.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	13%	0.129	C	C	.	.			trans	-141.2	108.6	-177.8	178.5	0	0	0	0	111.2	G236 L240 R241 A242 S325	G236-S238 PolarHBondContact O-N 3.14Å; S238-L240 PolarHBondContact O-N 2.78Å; S238-R241 PolarHBondContact O-N 3.17Å; S238-R241 PolarHBondContact OG-N 3Å; S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.49Å; S238-A242 PolarHBondContact O-N 2.99Å; S238-S325 WeakPolarHBondContact CA-OG 3.47Å
239	A	96.1	Very high	92.9	Very high	7 Å²	7	34.5 Å²	34.5	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-36.7	172.7	0	0	0	0	0	111.4	Y179 R241 A242 Q243 Y321 S325	Y179-A239 HydrophobicContact CD1-CB 3.69Å; Y179-A239 HydrophobicContact CE1-CB 3.49Å; Y179-A239 VanDerWaalsContact CE1-CB 3.49Å; Y179-A239 HydrophobicContact CE2-CB 4.42Å; Y179-A239 HydrophobicContact CG-CB 4.26Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.28Å; A239-A242 PolarHBondContact O-N 3.23Å; A239-Q243 PolarHBondContact O-N 2.95Å; A239-Y321 HydrophobicContact CB-CD1 3.57Å; A239-Y321 HydrophobicContact CB-CD2 4.18Å; A239-Y321 HydrophobicContact CB-CE1 3.98Å; A239-Y321 HydrophobicContact CB-CG 3.66Å; A239-S325 PolarHBondContact N-OG 2.98Å
240	L	94.7	Very high	91.9	Very high	41 Å²	41	37.7 Å²	37.7	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-42.3	178.9	-175.3	70	0	0	0	112.1	S238 Q243 K318 E322	S238-L240 PolarHBondContact O-N 2.78Å; L240-Q243 VanDerWaalsContact O-CG 3.32Å; L240-Q243 WeakPolarHBondContact O-CG 3.46Å; L240-Q243 PolarHBondContact O-NE2 2.62Å; L240-K318 HydrophobicContact CD1-CG 3.99Å; L240-E322 HydrophobicContact CD2-CG 3.73Å
241	R	94.4	Very high	90.9	Very high	111 Å²	111	42.7 Å²	42.7	42%	0.419	20%	0.197	S	C	.	.	H	α-helix	trans	-76.6	-35.5	175.5	-69.1	-179	174.5	-169.2	-0.2	111.9	S238 A239 Q243 L352	S238-R241 PolarHBondContact O-N 3.17Å; S238-R241 PolarHBondContact OG-N 3Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.28Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.26Å; R241-L352 HydrophobicContact CB-CD2 3.53Å
242	A	93.8	Very high	90.2	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-30.7	-179.3	0	0	0	0	0	112.9	S238 A239 E244 T245 F246 L352	S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.49Å; S238-A242 PolarHBondContact O-N 2.99Å; A239-A242 PolarHBondContact O-N 3.23Å; A242-E244 PolarHBondContact O-N 2.97Å; A242-T245 PolarHBondContact O-N 3.04Å; A242-T245 VanDerWaalsContact O-N 3.14Å; A242-T245 PolarHBondContact O-OG1 3.47Å; A242-F246 HydrophobicContact CB-CD2 4.18Å; A242-F246 HydrophobicContact CB-CE2 3.9Å; A242-F246 WeakPolarHBondContact O-CD2 3.39Å; A242-F246 PolarHBondContact O-N 2.87Å; A242-L352 HydrophobicContact CB-CD1 3.88Å; A242-L352 HydrophobicContact CB-CD2 4.41Å
243	Q	90.7	Very high	89.6	Confident	39 Å²	39	46.4 Å²	46.4	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-36.6	-179.7	84.1	-175.3	-20.2	0	0	112.2	A239 L240 R241 T245 Y321	A239-Q243 PolarHBondContact O-N 2.95Å; L240-Q243 VanDerWaalsContact O-CG 3.32Å; L240-Q243 WeakPolarHBondContact O-CG 3.46Å; L240-Q243 PolarHBondContact O-NE2 2.62Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.26Å; Q243-T245 VanDerWaalsContact C-N 3.32Å; Q243-Y321 HydrophobicContact CB-CD2 4.33Å; Q243-Y321 HydrophobicContact CB-CE2 3.77Å; Q243-Y321 HydrophobicContact CG-CE2 4.44Å
244	E	88.6	Confident	89	Confident	132 Å²	132	51.6 Å²	51.6	62%	0.617	24%	0.24	S	C	*	.	H	α-helix	trans	-69.3	-34.9	-179	-64.6	179	172.4	0	0	110.8	A242	A242-E244 PolarHBondContact O-N 2.97Å
245	T	88.6	Confident	88.6	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-80.6	-30.5	-179	68.2	0	0	0	0	112	A242 Q243 M247 Q248 H349	A242-T245 PolarHBondContact O-N 3.04Å; A242-T245 VanDerWaalsContact O-N 3.14Å; A242-T245 PolarHBondContact O-OG1 3.47Å; Q243-T245 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 2.85Å; T245-Q248 WeakPolarHBondContact O-CB 3.47Å; T245-Q248 PolarHBondContact O-N 2.82Å; T245-Q248 VanDerWaalsContact O-N 3.09Å; T245-H349 HydrophobicContact CG2-CB 3.69Å
246	F	84	Confident	88.3	Confident	39 Å²	39	58.9 Å²	58.9	17%	0.171	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.8	176.9	-80.7	-52	0	0	0	115	A242 N257 L347	A242-F246 HydrophobicContact CB-CD2 4.18Å; A242-F246 HydrophobicContact CB-CE2 3.9Å; A242-F246 WeakPolarHBondContact O-CD2 3.39Å; A242-F246 PolarHBondContact O-N 2.87Å; F246-N257 HydrophobicContact CB-CB 4.4Å; F246-N257 HydrophobicContact CD1-CB 4.24Å; F246-N257 PolarHBondContact O-ND2 2.92Å; F246-L347 HydrophobicContact CE1-CB 4.4Å; F246-L347 HydrophobicContact CE1-CD2 4.49Å
247	M	80.9	Confident	88.1	Confident	68 Å²	68	58.4 Å²	58.4	34%	0.335	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.4	174	-66.2	-60.2	-178.5	0	0	113	T245 M301	T245-M247 PolarHBondContact O-N 2.85Å; M247-M301 HydrophobicContact CE-CB 4.19Å; M247-M301 HydrophobicContact CE-CE 3.47Å; M247-M301 VanDerWaalsContact CE-CE 3.47Å; M247-M301 HydrophobicContact CE-SD 3.68Å
248	Q	81.7	Confident	87.8	Confident	77 Å²	77	62.5 Å²	62.5	36%	0.36	28%	0.283	S	S	.	.			trans	-77.1	145.3	178.8	-58.6	173	-18.7	0	0	110.5	T245 D250 R254	T245-Q248 WeakPolarHBondContact O-CB 3.47Å; T245-Q248 PolarHBondContact O-N 2.82Å; T245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-D250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-D250 PolarHBondContact OE1-OD1 3.37Å; Q248-R254 PolarHBondContact O-N 3.29Å
249	W	77.3	Confident	87.6	Confident	183 Å²	183	65.8 Å²	65.8	69%	0.693	30%	0.301	S	S	*	.			trans	-87.1	-13	179.5	-73.8	100	0	0	0	113	C252 R254	W249-C252 PolarHBondContact O-N 3.17Å; W249-R254 HydrophobicContact CD2-CB 4.46Å; W249-R254 HydrophobicContact CE3-CB 4.32Å
250	D	77.8	Confident	87.4	Confident	67 Å²	67	67.4 Å²	67.4	36%	0.358	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.8	145.2	176.8	73.4	-39.6	0	0	0	110.1	Q248 C252 R253	Q248-D250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-D250 PolarHBondContact OE1-OD1 3.37Å; D250-C252 PolarHBondContact O-N 3.21Å; D250-R253 PolarHBondContact O-N 2.86Å; D250-R253 PolarHBondContact O-NH1 2.66Å; D250-R253 IonicContact OD1-NH1 3.81Å; D250-R253 PolarHBondContact OD1-NH1 3.21Å; D250-R253 IonicContact OD2-CZ 3.62Å; D250-R253 IonicContact OD2-NH1 3.66Å; D250-R253 PolarHBondContact OD2-NH1 3.34Å
251	Q	79.4	Confident	87.4	Confident	104 Å²	104	65.4 Å²	65.4	49%	0.486	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	51	31.6	-176.5	-50	-60.6	-22.1	0	0	113.7	H77 R253	H77-Q251 VanDerWaalsContact CE1-C 3.47Å; H77-Q251 PolarHBondContact CE1-O 3.1Å; H77-Q251 PolarHBondContact NE2-OE1 2.72Å; H77-Q251 VanDerWaalsContact NE2-OE1 3.16Å; Q251-R253 PolarHBondContact O-N 3.33Å
252	C	83.4	Confident	87.4	Confident	65 Å²	65	62.3 Å²	62.3	44%	0.439	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	54.4	21.6	179.3	-55.9	0	0	0	0	114.8	W249 D250 R254 F255 Y256	W249-C252 PolarHBondContact O-N 3.17Å; D250-C252 PolarHBondContact O-N 3.21Å; C252-R254 VanDerWaalsContact C-N 3.33Å; C252-R254 PolarHBondContact O-N 3.45Å; C252-F255 HydrophobicContact CB-CB 4.37Å; C252-F255 WeakPolarHBondContact O-CA 3.26Å; C252-F255 WeakPolarHBondContact O-CB 3.28Å; C252-F255 PolarHBondContact O-N 3.4Å; C252-Y256 HydrophobicContact CB-CD2 4.35Å; C252-Y256 HydrophobicContact CB-CE2 4.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.31Å; C252-Y256 PolarHBondContact O-N 3.3Å; C252-Y256 VanDerWaalsContact O-N 3.13Å
253	R	85.6	Confident	87.4	Confident	13 Å²	13	66.5 Å²	66.5	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-56.1	-44.6	-173.9	-82.1	-178.6	-167.7	98.8	0.1	113.3	D250 Q251 F255 Y256 N257 P346	D250-R253 PolarHBondContact O-N 2.86Å; D250-R253 PolarHBondContact O-NH1 2.66Å; D250-R253 IonicContact OD1-NH1 3.81Å; D250-R253 PolarHBondContact OD1-NH1 3.21Å; D250-R253 IonicContact OD2-CZ 3.62Å; D250-R253 IonicContact OD2-NH1 3.66Å; D250-R253 PolarHBondContact OD2-NH1 3.34Å; Q251-R253 PolarHBondContact O-N 3.33Å; R253-F255 PolarHBondContact O-N 2.88Å; R253-Y256 PolarHBondContact O-N 3.5Å; R253-N257 WeakPolarHBondContact O-CB 3.47Å; R253-N257 PolarHBondContact O-N 3.48Å; R253-P346 WeakPolarHBondContact CD-O 3.41Å; R253-P346 WeakPolarHBondContact CG-O 3.26Å; R253-P346 PolarHBondContact NE-O 2.93Å
254	R	87.2	Confident	87.6	Confident	109 Å²	109	65 Å²	65	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-34.7	175.6	-169.9	171.7	178.7	168.2	0.6	113.2	Q248 W249 C252 F258	Q248-R254 PolarHBondContact O-N 3.29Å; W249-R254 HydrophobicContact CD2-CB 4.46Å; W249-R254 HydrophobicContact CE3-CB 4.32Å; C252-R254 VanDerWaalsContact C-N 3.33Å; C252-R254 PolarHBondContact O-N 3.45Å; R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.79Å
255	F	89.3	Confident	88	Confident	122 Å²	122	60 Å²	60	54%	0.535	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-44.1	176.2	179.3	-109.8	0	0	0	111.5	C252 R253 F258 L259	C252-F255 HydrophobicContact CB-CB 4.37Å; C252-F255 WeakPolarHBondContact O-CA 3.26Å; C252-F255 WeakPolarHBondContact O-CB 3.28Å; C252-F255 PolarHBondContact O-N 3.4Å; R253-F255 PolarHBondContact O-N 2.88Å; F255-F258 WeakPolarHBondContact O-CB 3.26Å; F255-F258 PolarHBondContact O-N 2.96Å; F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CE1-CD1 3.56Å; F255-L259 HydrophobicContact CE1-CG 4.25Å; F255-L259 HydrophobicContact CE2-CD2 4.46Å; F255-L259 HydrophobicContact CE2-CG 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.82Å; F255-L259 HydrophobicContact CZ-CD2 4.24Å; F255-L259 HydrophobicContact CZ-CG 4.16Å; F255-L259 WeakPolarHBondContact O-CG 3.33Å; F255-L259 PolarHBondContact O-N 3.39Å
256	Y	89.8	Confident	88.3	Confident	32 Å²	32	65.5 Å²	65.5	13%	0.125	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-43.7	173.7	-71.9	-74.1	0	0	0	112.5	H77 T80 C252 R253 F258 L259 M260 P346 L347	H77-Y256 AromaticContact ND1-CE2 3.56Å; H77-Y256 AromaticContact ND1-CZ 3.82Å; H77-Y256 PolarHBondContact ND1-OH 2.79Å; H77-Y256 VanDerWaalsContact ND1-OH 3.16Å; H77-Y256 PolarHBondContact O-OH 2.81Å; T80-Y256 HydrophobicContact CG2-CD1 4.46Å; T80-Y256 HydrophobicContact CG2-CE1 3.81Å; C252-Y256 HydrophobicContact CB-CD2 4.35Å; C252-Y256 HydrophobicContact CB-CE2 4.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.31Å; C252-Y256 PolarHBondContact O-N 3.3Å; C252-Y256 VanDerWaalsContact O-N 3.13Å; R253-Y256 PolarHBondContact O-N 3.5Å; Y256-F258 VanDerWaalsContact C-N 3.26Å; Y256-F258 PolarHBondContact O-N 3.23Å; Y256-L259 PolarHBondContact O-N 3.07Å; Y256-L259 VanDerWaalsContact O-N 3.14Å; Y256-M260 WeakPolarHBondContact O-CG 3.25Å; Y256-M260 PolarHBondContact O-N 3.26Å; Y256-P346 HydrophobicContact CD2-CB 4.33Å; Y256-P346 HydrophobicContact CE2-CB 3.79Å; Y256-P346 HydrophobicContact CE2-CG 3.99Å; Y256-L347 HydrophobicContact CD1-CD2 4.15Å; Y256-L347 HydrophobicContact CD2-CD2 3.98Å; Y256-L347 HydrophobicContact CG-CD2 3.59Å
257	N	91.3	Very high	88.9	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-56.7	-42.7	175.5	-175.7	16.5	0	0	0	111	F246 R253 M260 A261 S299 L300	F246-N257 HydrophobicContact CB-CB 4.4Å; F246-N257 HydrophobicContact CD1-CB 4.24Å; F246-N257 PolarHBondContact O-ND2 2.92Å; R253-N257 WeakPolarHBondContact O-CB 3.47Å; R253-N257 PolarHBondContact O-N 3.48Å; N257-M260 PolarHBondContact O-N 2.93Å; N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.88Å; N257-S299 WeakPolarHBondContact ND2-CB 3.32Å; N257-L300 PolarHBondContact OD1-N 3.3Å
258	F	92.3	Very high	89.5	Confident	87 Å²	87	62.2 Å²	62.2	38%	0.382	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-47.6	174.1	175.5	-95.8	0	0	0	112.6	R254 F255 Y256 M260 A261 D262 T298	R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.79Å; F255-F258 WeakPolarHBondContact O-CB 3.26Å; F255-F258 PolarHBondContact O-N 2.96Å; Y256-F258 VanDerWaalsContact C-N 3.26Å; Y256-F258 PolarHBondContact O-N 3.23Å; F258-M260 PolarHBondContact O-N 2.96Å; F258-A261 PolarHBondContact O-N 3.42Å; F258-D262 WeakPolarHBondContact O-CB 3.21Å; F258-D262 PolarHBondContact O-N 2.91Å; F258-T298 WeakPolarHBondContact CA-O 3.4Å; F258-T298 HydrophobicContact CD2-CG2 4.49Å; F258-T298 HydrophobicContact CE2-CG2 4.29Å
259	L	92.2	Very high	90.2	Very high	71 Å²	71	60.1 Å²	60.1	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-41.9	178.6	-67.6	179	0	0	0	112.4	F255 Y256 D262 N263	F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CE1-CD1 3.56Å; F255-L259 HydrophobicContact CE1-CG 4.25Å; F255-L259 HydrophobicContact CE2-CD2 4.46Å; F255-L259 HydrophobicContact CE2-CG 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.82Å; F255-L259 HydrophobicContact CZ-CD2 4.24Å; F255-L259 HydrophobicContact CZ-CG 4.16Å; F255-L259 WeakPolarHBondContact O-CG 3.33Å; F255-L259 PolarHBondContact O-N 3.39Å; Y256-L259 PolarHBondContact O-N 3.07Å; Y256-L259 VanDerWaalsContact O-N 3.14Å; L259-D262 PolarHBondContact O-N 3.32Å; L259-N263 PolarHBondContact O-N 3.43Å
260	M	92.5	Very high	91	Very high	40 Å²	40	55.3 Å²	55.3	20%	0.197	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-41.1	176.3	-67.8	173.2	74.5	0	0	111.3	I134 Y256 N257 F258 N263 M264 L300 L347	I134-M260 HydrophobicContact CD1-CE 4.43Å; I134-M260 HydrophobicContact CG2-CE 3.79Å; Y256-M260 WeakPolarHBondContact O-CG 3.25Å; Y256-M260 PolarHBondContact O-N 3.26Å; N257-M260 PolarHBondContact O-N 2.93Å; F258-M260 PolarHBondContact O-N 2.96Å; M260-N263 PolarHBondContact O-N 2.86Å; M260-M264 WeakPolarHBondContact O-CB 3.21Å; M260-M264 PolarHBondContact O-N 3.32Å; M260-L300 HydrophobicContact CB-CD1 3.88Å; M260-L300 HydrophobicContact CB-CD2 4.21Å; M260-L300 HydrophobicContact CB-CG 4.16Å; M260-L300 HydrophobicContact CE-CD1 3.83Å; M260-L300 HydrophobicContact SD-CD1 4.23Å; M260-L347 HydrophobicContact SD-CD1 4Å
261	A	94.4	Very high	91.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.7	0	0	0	0	0	111.9	N257 F258 M264 K265 L300 I303	N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.88Å; F258-A261 PolarHBondContact O-N 3.42Å; A261-M264 PolarHBondContact O-N 2.83Å; A261-K265 VanDerWaalsContact O-CB 3.24Å; A261-K265 WeakPolarHBondContact O-CB 3.28Å; A261-K265 PolarHBondContact O-N 2.82Å; A261-L300 HydrophobicContact CB-CD2 4.48Å; A261-L300 HydrophobicContact CB-CG 4.48Å; A261-I303 HydrophobicContact CB-CD1 3.93Å; A261-I303 WeakPolarHBondContact O-CD1 3.45Å
262	D	94.9	Very high	92.4	Very high	46 Å²	46	55 Å²	55	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-43.3	177.1	-173	62.9	0	0	0	111.9	F258 L259 K265 K266	F258-D262 WeakPolarHBondContact O-CB 3.21Å; F258-D262 PolarHBondContact O-N 2.91Å; L259-D262 PolarHBondContact O-N 3.32Å; D262-K265 PolarHBondContact O-N 3.44Å; D262-K266 WeakPolarHBondContact O-CG 3.23Å; D262-K266 PolarHBondContact O-N 3.45Å; D262-K266 VanDerWaalsContact OD2-CE 3.23Å; D262-K266 WeakPolarHBondContact OD2-CE 3.37Å; D262-K266 IonicContact OD2-NZ 3.14Å; D262-K266 PolarHBondContact OD2-NZ 3.31Å
263	N	93.3	Very high	92.7	Very high	95 Å²	95	58.2 Å²	58.2	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.3	-74.6	-19.3	0	0	0	112	L259 M260 K265 K266 I267	L259-N263 PolarHBondContact O-N 3.43Å; M260-N263 PolarHBondContact O-N 2.86Å; N263-K265 VanDerWaalsContact C-N 3.35Å; N263-K265 PolarHBondContact O-N 3.46Å; N263-K266 PolarHBondContact O-N 2.84Å; N263-I267 WeakPolarHBondContact O-CG1 3.26Å; N263-I267 PolarHBondContact O-N 2.86Å
264	M	95.6	Very high	92.9	Very high	7 Å²	7	59.1 Å²	59.1	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-46	177.6	-178.1	62.4	75.5	0	0	111.4	I134 A135 F177 M260 A261 K266 I267 I268 L300 I303 M308	I134-M264 HydrophobicContact CD1-CE 3.51Å; I134-M264 HydrophobicContact CG1-CE 3.44Å; I134-M264 VanDerWaalsContact CG1-CE 3.44Å; A135-M264 HydrophobicContact CB-CE 4.25Å; F177-M264 HydrophobicContact CE1-CE 4.42Å; F177-M264 HydrophobicContact CE1-SD 4.47Å; F177-M264 HydrophobicContact CE2-CE 4.13Å; F177-M264 HydrophobicContact CZ-CE 3.52Å; F177-M264 HydrophobicContact CZ-SD 4.11Å; M260-M264 WeakPolarHBondContact O-CB 3.21Å; M260-M264 PolarHBondContact O-N 3.32Å; A261-M264 PolarHBondContact O-N 2.83Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.37Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.11Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.36Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.29Å; M264-I268 HydrophobicContact SD-CD1 4.39Å; M264-I268 HydrophobicContact SD-CG1 4.39Å; M264-L300 HydrophobicContact CB-CD2 4.16Å; M264-I303 HydrophobicContact CB-CD1 3.99Å; M264-I303 HydrophobicContact CG-CD1 4.13Å; M264-I303 HydrophobicContact CG-CG2 3.97Å; M264-M308 HydrophobicContact CE-CE 3.93Å; M264-M308 HydrophobicContact CG-CE 3.73Å; M264-M308 HydrophobicContact SD-CE 3.25Å; M264-M308 WeakPolarHBondContact SD-CE 3.46Å
265	K	96	Very high	93.1	Very high	28 Å²	28	54 Å²	54	12%	0.122	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-46.6	177.3	-174.3	-165.9	-53.3	-176.2	0	111.2	A261 D262 N263 I267 I268 L269 L294 Y295 A297 I303	A261-K265 VanDerWaalsContact O-CB 3.24Å; A261-K265 WeakPolarHBondContact O-CB 3.28Å; A261-K265 PolarHBondContact O-N 2.82Å; D262-K265 PolarHBondContact O-N 3.44Å; N263-K265 VanDerWaalsContact C-N 3.35Å; N263-K265 PolarHBondContact O-N 3.46Å; K265-I267 VanDerWaalsContact C-N 3.29Å; K265-I267 PolarHBondContact O-N 2.84Å; K265-I268 PolarHBondContact O-N 3.28Å; K265-L269 HydrophobicContact CD-CD1 4.27Å; K265-L269 HydrophobicContact CG-CD1 3.84Å; K265-L269 HydrophobicContact CG-CG 4.31Å; K265-L269 WeakPolarHBondContact O-CB 3.44Å; K265-L269 VanDerWaalsContact O-CG 3.23Å; K265-L269 WeakPolarHBondContact O-CG 3.04Å; K265-L269 PolarHBondContact O-N 2.8Å; K265-L294 HydrophobicContact CB-CD1 4.35Å; K265-L294 WeakPolarHBondContact CD-O 3.39Å; K265-L294 VanDerWaalsContact CE-O 3.25Å; K265-L294 WeakPolarHBondContact CE-O 3.48Å; K265-L294 HydrophobicContact CG-CD1 3.92Å; K265-L294 HydrophobicContact CG-CG 4.11Å; K265-Y295 PolarHBondContact NZ-O 3.19Å; K265-A297 WeakPolarHBondContact CE-O 3.48Å; K265-A297 PolarHBondContact NZ-O 2.89Å; K265-I303 HydrophobicContact CB-CD1 4.17Å
266	K	95.7	Very high	93.2	Very high	119 Å²	119	49.3 Å²	49.3	52%	0.517	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-41.3	177	-75.5	165.7	176.3	160.6	0	112.3	D262 N263 M264 L269 S270	D262-K266 WeakPolarHBondContact O-CG 3.23Å; D262-K266 PolarHBondContact O-N 3.45Å; D262-K266 VanDerWaalsContact OD2-CE 3.23Å; D262-K266 WeakPolarHBondContact OD2-CE 3.37Å; D262-K266 IonicContact OD2-NZ 3.14Å; D262-K266 PolarHBondContact OD2-NZ 3.31Å; N263-K266 PolarHBondContact O-N 2.84Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.37Å; K266-L269 PolarHBondContact O-N 3.27Å; K266-S270 PolarHBondContact O-N 3.38Å
267	I	95.3	Very high	93	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.195	24%	0.243	C	C	.	.	H	α-helix	trans	-70	-43.3	179.1	-60.7	170.5	0	0	0	110.9	A135 G164 M176 N263 M264 K265 L269 S270 H271	A135-I267 HydrophobicContact CB-CD1 3.48Å; A135-I267 VanDerWaalsContact CB-CD1 3.48Å; G164-I267 WeakPolarHBondContact O-CG2 3.33Å; M176-I267 HydrophobicContact CE-CG2 3.54Å; N263-I267 WeakPolarHBondContact O-CG1 3.26Å; N263-I267 PolarHBondContact O-N 2.86Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.11Å; K265-I267 VanDerWaalsContact C-N 3.29Å; K265-I267 PolarHBondContact O-N 2.84Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; I267-S270 PolarHBondContact O-N 2.94Å; I267-S270 PolarHBondContact O-OG 3Å; I267-H271 PolarHBondContact O-CD2 3.14Å; I267-H271 VanDerWaalsContact O-CD2 3.26Å
268	I	95.3	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-44.3	175.7	-63.1	164.5	0	0	0	110.2	M176 M264 K265 S270 H271 R272 L275 F276 L294 I303 V307 M308	M176-I268 HydrophobicContact SD-CB 4.31Å; M176-I268 HydrophobicContact SD-CG1 3.74Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.36Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.29Å; M264-I268 HydrophobicContact SD-CD1 4.39Å; M264-I268 HydrophobicContact SD-CG1 4.39Å; K265-I268 PolarHBondContact O-N 3.28Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å; I268-H271 CarbonylContact O-C 3.58Å; I268-H271 PolarHBondContact O-N 2.96Å; I268-R272 PolarHBondContact O-N 3.11Å; I268-L275 HydrophobicContact CG2-CD1 3.82Å; I268-F276 HydrophobicContact CG2-CE2 4Å; I268-F276 HydrophobicContact CG2-CZ 4.39Å; I268-L294 HydrophobicContact CB-CD2 4.03Å; I268-L294 HydrophobicContact CD1-CD1 3.94Å; I268-L294 HydrophobicContact CG2-CD2 3.41Å; I268-L294 VanDerWaalsContact CG2-CD2 3.41Å; I268-I303 HydrophobicContact CD1-CG2 3.38Å; I268-V307 HydrophobicContact CD1-CG1 4.46Å; I268-V307 HydrophobicContact CG2-CG1 4.35Å; I268-M308 HydrophobicContact CD1-CE 3.64Å; I268-M308 HydrophobicContact CD1-SD 4.02Å; I268-M308 HydrophobicContact CG1-CE 4.01Å
269	L	95	Very high	91.2	Very high	33 Å²	33	59.7 Å²	59.7	17%	0.173	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-26.4	-179.3	-69.9	176.1	0	0	0	113.4	K265 K266 I267 H271 R272 L291 L294 Y295	K265-L269 HydrophobicContact CD-CD1 4.27Å; K265-L269 HydrophobicContact CG-CD1 3.84Å; K265-L269 HydrophobicContact CG-CG 4.31Å; K265-L269 WeakPolarHBondContact O-CB 3.44Å; K265-L269 VanDerWaalsContact O-CG 3.23Å; K265-L269 WeakPolarHBondContact O-CG 3.04Å; K265-L269 PolarHBondContact O-N 2.8Å; K266-L269 PolarHBondContact O-N 3.27Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; L269-H271 PolarHBondContact O-N 3.21Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.26Å; L269-L291 HydrophobicContact CD2-CD1 3.79Å; L269-L294 HydrophobicContact CD2-CD2 3.84Å; L269-L294 HydrophobicContact CG-CD2 4.19Å; L269-Y295 HydrophobicContact CD1-CD1 4.04Å; L269-Y295 HydrophobicContact CD1-CE1 3.71Å; L269-Y295 HydrophobicContact CD2-CD1 4.44Å; L269-Y295 HydrophobicContact CD2-CE1 3.84Å; L269-Y295 HydrophobicContact CD2-CE2 4.43Å; L269-Y295 HydrophobicContact CG-CE1 4.46Å
270	S	94.9	Very high	90.1	Very high	81 Å²	81	57.8 Å²	57.8	57%	0.566	29%	0.293	S	S	*	.	H	α-helix	trans	-66.5	-24.7	171.4	65.7	0	0	0	0	112.2	K266 I267 I268	K266-S270 PolarHBondContact O-N 3.38Å; I267-S270 PolarHBondContact O-N 2.94Å; I267-S270 PolarHBondContact O-OG 3Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å
271	H	93.8	Very high	88.5	Confident	20 Å²	20	65.6 Å²	65.6	9%	0.093	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17.8	176	-64.6	-67.5	0	0	0	113.5	G164 I169 L171 I267 I268 L269 Q273 A274 L275	G164-H271 PolarHBondContact O-NE2 2.86Å; I169-H271 PolarHBondContact O-CE1 2.8Å; L171-H271 HydrophobicContact CD1-CB 3.58Å; L171-H271 HydrophobicContact CG-CB 4.22Å; I267-H271 PolarHBondContact O-CD2 3.14Å; I267-H271 VanDerWaalsContact O-CD2 3.26Å; I268-H271 CarbonylContact O-C 3.58Å; I268-H271 PolarHBondContact O-N 2.96Å; L269-H271 PolarHBondContact O-N 3.21Å; H271-Q273 PolarHBondContact O-N 3.15Å; H271-A274 PolarHBondContact O-N 3.44Å; H271-L275 HydrophobicContact CB-CD1 3.95Å; H271-L275 HydrophobicContact CB-CG 4.2Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 3.05Å; H271-L275 VanDerWaalsContact O-N 3.11Å
272	R	92.1	Very high	86.9	Confident	145 Å²	145	70 Å²	70	55%	0.547	35%	0.345	S	S	.	.	H	α-helix	trans	-52.1	-37.6	-173	70.5	177	-172.2	-88.8	-1.8	113.9	I268 L269 L275 F276	I268-R272 PolarHBondContact O-N 3.11Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.26Å; R272-L275 PolarHBondContact O-N 2.92Å; R272-F276 HydrophobicContact CB-CD2 4.4Å; R272-F276 WeakPolarHBondContact O-CA 3.38Å; R272-F276 WeakPolarHBondContact O-CB 3.39Å; R272-F276 PolarHBondContact O-N 3.13Å
273	Q	90.1	Very high	84.9	Confident	133 Å²	133	74.5 Å²	74.5	62%	0.621	38%	0.377	S	S	*	.	H	α-helix	trans	-68.7	-39	-176.7	-174.1	62.1	28.9	0	0	111.7	H271 G277	H271-Q273 PolarHBondContact O-N 3.15Å; Q273-G277 WeakPolarHBondContact O-CA 3.49Å; Q273-G277 PolarHBondContact O-N 2.86Å
274	A	90.5	Very high	83.6	Confident	32 Å²	32	75.4 Å²	75.4	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-75.8	-27.8	178.9	0	0	0	0	0	112.4	L171 P174 H271	L171-A274 HydrophobicContact CB-CB 3.92Å; P174-A274 WeakPolarHBondContact CB-O 3.39Å; H271-A274 PolarHBondContact O-N 3.44Å
275	L	91.8	Very high	82.5	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-95.5	-35.6	-174.9	-64.4	177.9	0	0	0	114	L171 M176 I268 H271 R272 L286 F311	L171-L275 HydrophobicContact CD1-CD1 4.16Å; L171-L275 HydrophobicContact CD1-CD2 3.69Å; L171-L275 HydrophobicContact CD1-CG 3.92Å; M176-L275 HydrophobicContact CG-CD1 4.08Å; M176-L275 HydrophobicContact CG-CD2 4.36Å; M176-L275 HydrophobicContact SD-CD1 3.86Å; I268-L275 HydrophobicContact CG2-CD1 3.82Å; H271-L275 HydrophobicContact CB-CD1 3.95Å; H271-L275 HydrophobicContact CB-CG 4.2Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 3.05Å; H271-L275 VanDerWaalsContact O-N 3.11Å; R272-L275 PolarHBondContact O-N 2.92Å; L275-L286 HydrophobicContact CB-CD1 4.25Å; L275-F311 HydrophobicContact CD1-CZ 4.27Å; L275-F311 HydrophobicContact CD2-CE1 3.87Å; L275-F311 HydrophobicContact CD2-CZ 3.99Å
276	F	90.1	Very high	82	Confident	23 Å²	23	77 Å²	77	10%	0.101	39%	0.392	C	S	.	.	H	α-helix	trans	-123.2	8	-172.4	-57	-94	0	0	0	113.3	I268 R272 L286 D290 L291 L294 V307	I268-F276 HydrophobicContact CG2-CE2 4Å; I268-F276 HydrophobicContact CG2-CZ 4.39Å; R272-F276 HydrophobicContact CB-CD2 4.4Å; R272-F276 WeakPolarHBondContact O-CA 3.38Å; R272-F276 WeakPolarHBondContact O-CB 3.39Å; R272-F276 PolarHBondContact O-N 3.13Å; F276-L286 HydrophobicContact CD1-CB 3.59Å; F276-L286 HydrophobicContact CD1-CD1 4.11Å; F276-L286 HydrophobicContact CD1-CG 4.48Å; F276-L286 HydrophobicContact CE1-CB 3.62Å; F276-L286 HydrophobicContact CE1-CD1 3.65Å; F276-L286 HydrophobicContact CE1-CG 4.15Å; F276-L286 HydrophobicContact CE2-CD1 4.12Å; F276-L286 HydrophobicContact CG-CB 4.44Å; F276-L286 HydrophobicContact CZ-CB 4.48Å; F276-L286 HydrophobicContact CZ-CD1 3.66Å; F276-D290 HydrophobicContact CE1-CB 4.27Å; F276-L291 HydrophobicContact CD1-CB 3.73Å; F276-L291 HydrophobicContact CD1-CD1 4.36Å; F276-L291 HydrophobicContact CD1-CG 4.45Å; F276-L291 HydrophobicContact CD2-CD1 4.22Å; F276-L291 HydrophobicContact CE1-CB 3.74Å; F276-L291 HydrophobicContact CE1-CD1 4.24Å; F276-L291 HydrophobicContact CE2-CD1 4.12Å; F276-L291 HydrophobicContact CG-CB 4.38Å; F276-L291 HydrophobicContact CG-CD1 4.34Å; F276-L291 HydrophobicContact CZ-CB 4.43Å; F276-L291 HydrophobicContact CZ-CD1 4.12Å; F276-L294 HydrophobicContact CE2-CD2 4.23Å; F276-L294 HydrophobicContact CZ-CD2 3.95Å; F276-V307 HydrophobicContact CZ-CG2 4.42Å
277	G	85.3	Confident	81.5	Confident	13 Å²	13	76.7 Å²	76.7	13%	0.134	39%	0.392	C	S	.	.			trans	-73.2	149.8	-178.8	0	0	0	0	0	113.6	Q273 H279 V280	Q273-G277 WeakPolarHBondContact O-CA 3.49Å; Q273-G277 PolarHBondContact O-N 2.86Å; G277-H279 PolarHBondContact O-N 3.24Å; G277-V280 WeakPolarHBondContact O-CB 3.39Å; G277-V280 VanDerWaalsContact O-CG2 3.3Å; G277-V280 WeakPolarHBondContact O-CG2 3.41Å; G277-V280 PolarHBondContact O-N 2.95Å
278	D	76.9	Confident	81.1	Confident	162 Å²	162	80.7 Å²	80.7	87%	0.866	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.3	-178.9	-60.5	-28.9	0	0	0	114.8	V280	D278-V280 VanDerWaalsContact C-N 3.34Å
279	H	69.2	Low	80.8	Confident	166 Å²	166	83.9 Å²	83.9	77%	0.769	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.5	-179.2	-60	-44.3	0	0	0	114.1	G277 K281	G277-H279 PolarHBondContact O-N 3.24Å; H279-K281 PolarHBondContact O-N 3.46Å
280	V	69.5	Low	80.7	Confident	31 Å²	31	82.4 Å²	82.4	19%	0.188	43%	0.426	C	S	.	.			trans	-74.5	85.7	179.5	-179.3	0	0	0	0	110.2	P174 G277 D278 K282	P174-V280 HydrophobicContact CB-CG1 3.54Å; P174-V280 HydrophobicContact CB-CG2 4.17Å; P174-V280 HydrophobicContact CG-CG1 3.82Å; G277-V280 WeakPolarHBondContact O-CB 3.39Å; G277-V280 VanDerWaalsContact O-CG2 3.3Å; G277-V280 WeakPolarHBondContact O-CG2 3.41Å; G277-V280 PolarHBondContact O-N 2.95Å; D278-V280 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.48Å; V280-K282 VanDerWaalsContact O-N 3.1Å
281	K	58.6	Low	80.6	Confident	204 Å²	204	80 Å²	80	89%	0.887	41%	0.406	S	S	*	.			trans	-80.6	78.8	176.4	-64	-177.2	-178.2	-179.3	0	111.2	H279	H279-K281 PolarHBondContact O-N 3.46Å
282	K	61.4	Low	80.7	Confident	92 Å²	92	82.5 Å²	82.5	40%	0.4	43%	0.426	S	S	.	.			trans	-133	145.9	167.1	-75.4	-169.6	-179.1	177.3	0	111	P174 V280 Q284 S285	P174-K282 HydrophobicContact CG-CD 3.89Å; V280-K282 PolarHBondContact O-N 3.48Å; V280-K282 VanDerWaalsContact O-N 3.1Å; K282-Q284 PolarHBondContact O-N 2.84Å; K282-Q284 VanDerWaalsContact O-N 3.08Å; K282-S285 WeakPolarHBondContact O-CB 3.33Å; K282-S285 PolarHBondContact O-N 2.93Å; K282-S285 VanDerWaalsContact O-N 3.11Å; K282-S285 PolarHBondContact O-OG 2.93Å
283	P	53.2	Low	80.8	Confident	141 Å²	141	81.6 Å²	81.6	92%	0.916	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.4	179.2	23.5	-31.9	0	0	0	114.8
284	Q	64.5	Low	81.1	Confident	113 Å²	113	75.3 Å²	75.3	53%	0.528	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	36	174.8	-68.2	175.9	-27.1	0	0	111	K282	K282-Q284 PolarHBondContact O-N 2.84Å; K282-Q284 VanDerWaalsContact O-N 3.08Å
285	S	72.9	Confident	81.3	Confident	50 Å²	50	79.7 Å²	79.7	35%	0.35	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.8	144.5	174.1	53.7	0	0	0	0	111	K282	K282-S285 WeakPolarHBondContact O-CB 3.33Å; K282-S285 PolarHBondContact O-N 2.93Å; K282-S285 VanDerWaalsContact O-N 3.11Å; K282-S285 PolarHBondContact O-OG 2.93Å
286	L	85.5	Confident	81.5	Confident	19 Å²	19	84.5 Å²	84.5	10%	0.099	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-64.3	137.6	169.9	-65.6	170.3	0	0	0	109.6	L275 F276 D290 V307 K310 F311	L275-L286 HydrophobicContact CB-CD1 4.25Å; F276-L286 HydrophobicContact CD1-CB 3.59Å; F276-L286 HydrophobicContact CD1-CD1 4.11Å; F276-L286 HydrophobicContact CD1-CG 4.48Å; F276-L286 HydrophobicContact CE1-CB 3.62Å; F276-L286 HydrophobicContact CE1-CD1 3.65Å; F276-L286 HydrophobicContact CE1-CG 4.15Å; F276-L286 HydrophobicContact CE2-CD1 4.12Å; F276-L286 HydrophobicContact CG-CB 4.44Å; F276-L286 HydrophobicContact CZ-CB 4.48Å; F276-L286 HydrophobicContact CZ-CD1 3.66Å; L286-D290 HydrophobicContact CD2-CB 4.22Å; L286-V307 HydrophobicContact CD1-CG1 3.89Å; L286-V307 HydrophobicContact CD2-CG1 4.24Å; L286-K310 HydrophobicContact CD2-CB 4.17Å; L286-K310 HydrophobicContact CD2-CD 3.9Å; L286-F311 HydrophobicContact CD1-CE1 3.72Å; L286-F311 HydrophobicContact CD1-CZ 4.32Å
287	E	86.7	Confident	81.8	Confident	113 Å²	113	83.5 Å²	83.5	53%	0.528	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-97.3	164.8	179.6	-63.6	176.4	-177.7	0	0	111.3	T289 D290 L291	E287-T289 PolarHBondContact O-N 3.41Å; E287-T289 VanDerWaalsContact O-N 3.13Å; E287-T289 PolarHBondContact OE2-OG1 3.44Å; E287-T289 VanDerWaalsContact OE2-OG1 3.09Å; E287-D290 PolarHBondContact N-OD2 2.89Å; E287-D290 WeakPolarHBondContact O-CA 3.38Å; E287-D290 WeakPolarHBondContact O-CB 3.26Å; E287-D290 PolarHBondContact O-N 2.88Å; E287-L291 PolarHBondContact O-N 3.22Å; E287-L291 VanDerWaalsContact O-N 3.16Å
288	D	86.4	Confident	82.2	Confident	122 Å²	122	86.2 Å²	86.2	65%	0.652	44%	0.443	S	S	*	.	H	α-helix	trans	-56.1	-29.1	170.6	-70.7	-27.6	0	0	0	112.7	D290 L291 S292	D288-D290 VanDerWaalsContact C-N 3.34Å; D288-L291 PolarHBondContact O-N 3.23Å; D288-S292 WeakPolarHBondContact O-CB 3.15Å; D288-S292 PolarHBondContact O-N 3.33Å; D288-S292 PolarHBondContact O-OG 2.84Å
289	T	89.2	Confident	83.1	Confident	67 Å²	67	78.8 Å²	78.8	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-37.7	175	63.7	0	0	0	0	111.4	E287 S292 R293	E287-T289 PolarHBondContact O-N 3.41Å; E287-T289 VanDerWaalsContact O-N 3.13Å; E287-T289 PolarHBondContact OE2-OG1 3.44Å; E287-T289 VanDerWaalsContact OE2-OG1 3.09Å; T289-S292 PolarHBondContact O-N 2.75Å; T289-R293 VanDerWaalsContact O-CG 3.31Å; T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 2.91Å
290	D	92.8	Very high	84.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-69	-41.4	176.4	-61.4	-41	0	0	0	111.1	F276 L286 E287 D288 S292 R293 L294 K310	F276-D290 HydrophobicContact CE1-CB 4.27Å; L286-D290 HydrophobicContact CD2-CB 4.22Å; E287-D290 PolarHBondContact N-OD2 2.89Å; E287-D290 WeakPolarHBondContact O-CA 3.38Å; E287-D290 WeakPolarHBondContact O-CB 3.26Å; E287-D290 PolarHBondContact O-N 2.88Å; D288-D290 VanDerWaalsContact C-N 3.34Å; D290-S292 VanDerWaalsContact C-N 3.34Å; D290-S292 PolarHBondContact O-N 2.89Å; D290-R293 PolarHBondContact O-N 2.91Å; D290-L294 WeakPolarHBondContact O-CB 3.28Å; D290-L294 PolarHBondContact O-N 3.16Å; D290-K310 WeakPolarHBondContact OD1-CE 3.13Å; D290-K310 IonicContact OD1-NZ 2.85Å; D290-K310 PolarHBondContact OD1-NZ 2.86Å; D290-K310 IonicContact OD2-NZ 2.83Å; D290-K310 PolarHBondContact OD2-NZ 3.36Å
291	L	93	Very high	85.5	Confident	31 Å²	31	73 Å²	73	16%	0.162	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-44.9	175	-178.9	57.9	0	0	0	111.2	L269 F276 E287 D288 R293 L294 Y295	L269-L291 HydrophobicContact CD2-CD1 3.79Å; F276-L291 HydrophobicContact CD1-CB 3.73Å; F276-L291 HydrophobicContact CD1-CD1 4.36Å; F276-L291 HydrophobicContact CD1-CG 4.45Å; F276-L291 HydrophobicContact CD2-CD1 4.22Å; F276-L291 HydrophobicContact CE1-CB 3.74Å; F276-L291 HydrophobicContact CE1-CD1 4.24Å; F276-L291 HydrophobicContact CE2-CD1 4.12Å; F276-L291 HydrophobicContact CG-CB 4.38Å; F276-L291 HydrophobicContact CG-CD1 4.34Å; F276-L291 HydrophobicContact CZ-CB 4.43Å; F276-L291 HydrophobicContact CZ-CD1 4.12Å; E287-L291 PolarHBondContact O-N 3.22Å; E287-L291 VanDerWaalsContact O-N 3.16Å; D288-L291 PolarHBondContact O-N 3.23Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.8Å; L291-L294 HydrophobicContact CD1-CD2 4.41Å; L291-L294 WeakPolarHBondContact O-CB 3.24Å; L291-L294 PolarHBondContact O-N 2.89Å; L291-Y295 HydrophobicContact CD1-CD2 4.22Å; L291-Y295 HydrophobicContact CD1-CE2 3.69Å; L291-Y295 HydrophobicContact CD2-CE2 4.23Å; L291-Y295 HydrophobicContact CG-CD2 4.13Å; L291-Y295 HydrophobicContact CG-CE2 3.66Å; L291-Y295 WeakPolarHBondContact O-CD2 3.36Å; L291-Y295 PolarHBondContact O-N 2.85Å
292	S	94.5	Very high	87.2	Confident	72 Å²	72	66.5 Å²	66.5	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.2	-61.1	0	0	0	0	111.6	D288 T289 D290 Y295 T296	D288-S292 WeakPolarHBondContact O-CB 3.15Å; D288-S292 PolarHBondContact O-N 3.33Å; D288-S292 PolarHBondContact O-OG 2.84Å; T289-S292 PolarHBondContact O-N 2.75Å; D290-S292 VanDerWaalsContact C-N 3.34Å; D290-S292 PolarHBondContact O-N 2.89Å; S292-Y295 PolarHBondContact O-N 2.86Å; S292-T296 PolarHBondContact O-N 3.11Å
293	R	95.6	Very high	88.9	Confident	127 Å²	127	62.1 Å²	62.1	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-39.7	176.4	-70.9	179.2	-171.2	171.7	3	112.2	T289 D290 L291 Y295 T296 A297 N306	T289-R293 VanDerWaalsContact O-CG 3.31Å; T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 2.91Å; D290-R293 PolarHBondContact O-N 2.91Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.8Å; R293-Y295 VanDerWaalsContact C-N 3.33Å; R293-Y295 PolarHBondContact O-N 2.85Å; R293-T296 CarbonylContact O-C 3.52Å; R293-T296 PolarHBondContact O-N 3.39Å; R293-T296 VanDerWaalsContact O-N 3.13Å; R293-T296 PolarHBondContact O-OG1 3.02Å; R293-A297 PolarHBondContact O-N 2.94Å; R293-N306 HydrophobicContact CB-CB 4.15Å; R293-N306 WeakPolarHBondContact CD-OD1 3.41Å; R293-N306 PolarHBondContact NH1-OD1 2.67Å
294	L	95.5	Very high	90.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-43.8	175.1	175.2	64.6	0	0	0	111.8	K265 I268 L269 F276 D290 L291 T296 A297 I303 V307	K265-L294 HydrophobicContact CB-CD1 4.35Å; K265-L294 WeakPolarHBondContact CD-O 3.39Å; K265-L294 VanDerWaalsContact CE-O 3.25Å; K265-L294 WeakPolarHBondContact CE-O 3.48Å; K265-L294 HydrophobicContact CG-CD1 3.92Å; K265-L294 HydrophobicContact CG-CG 4.11Å; I268-L294 HydrophobicContact CB-CD2 4.03Å; I268-L294 HydrophobicContact CD1-CD1 3.94Å; I268-L294 HydrophobicContact CG2-CD2 3.41Å; I268-L294 VanDerWaalsContact CG2-CD2 3.41Å; L269-L294 HydrophobicContact CD2-CD2 3.84Å; L269-L294 HydrophobicContact CG-CD2 4.19Å; F276-L294 HydrophobicContact CE2-CD2 4.23Å; F276-L294 HydrophobicContact CZ-CD2 3.95Å; D290-L294 WeakPolarHBondContact O-CB 3.28Å; D290-L294 PolarHBondContact O-N 3.16Å; L291-L294 HydrophobicContact CD1-CD2 4.41Å; L291-L294 WeakPolarHBondContact O-CB 3.24Å; L291-L294 PolarHBondContact O-N 2.89Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å; L294-A297 WeakPolarHBondContact O-CB 3.38Å; L294-A297 PolarHBondContact O-N 2.8Å; L294-I303 HydrophobicContact CD1-CG1 4.1Å; L294-I303 HydrophobicContact CD1-CG2 4.27Å; L294-V307 HydrophobicContact CB-CG2 4.15Å; L294-V307 HydrophobicContact CD1-CG2 4.25Å; L294-V307 HydrophobicContact CD2-CG2 4.42Å
295	Y	95.5	Very high	92.4	Very high	125 Å²	125	53.8 Å²	53.8	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-42.8	175.8	-80.5	-65.4	0	0	0	111.8	K265 L269 L291 S292 R293	K265-Y295 PolarHBondContact NZ-O 3.19Å; L269-Y295 HydrophobicContact CD1-CD1 4.04Å; L269-Y295 HydrophobicContact CD1-CE1 3.71Å; L269-Y295 HydrophobicContact CD2-CD1 4.44Å; L269-Y295 HydrophobicContact CD2-CE1 3.84Å; L269-Y295 HydrophobicContact CD2-CE2 4.43Å; L269-Y295 HydrophobicContact CG-CE1 4.46Å; L291-Y295 HydrophobicContact CD1-CD2 4.22Å; L291-Y295 HydrophobicContact CD1-CE2 3.69Å; L291-Y295 HydrophobicContact CD2-CE2 4.23Å; L291-Y295 HydrophobicContact CG-CD2 4.13Å; L291-Y295 HydrophobicContact CG-CE2 3.66Å; L291-Y295 WeakPolarHBondContact O-CD2 3.36Å; L291-Y295 PolarHBondContact O-N 2.85Å; S292-Y295 PolarHBondContact O-N 2.86Å; R293-Y295 VanDerWaalsContact C-N 3.33Å; R293-Y295 PolarHBondContact O-N 2.85Å
296	T	96	Very high	93.4	Very high	103 Å²	103	52.2 Å²	52.2	63%	0.632	27%	0.269	S	S	*	.	H	α-helix	trans	-82.6	-7.6	-179.1	64.5	0	0	0	0	114.8	S292 R293 L294	S292-T296 PolarHBondContact O-N 3.11Å; R293-T296 CarbonylContact O-C 3.52Å; R293-T296 PolarHBondContact O-N 3.39Å; R293-T296 VanDerWaalsContact O-N 3.13Å; R293-T296 PolarHBondContact O-OG1 3.02Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å
297	A	96.1	Very high	93.8	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	26%	0.264	C	S	.	.			trans	-65.3	138.1	-176.2	0	0	0	0	0	112.1	K265 R293 L294 Q302 I303	K265-A297 WeakPolarHBondContact CE-O 3.48Å; K265-A297 PolarHBondContact NZ-O 2.89Å; R293-A297 PolarHBondContact O-N 2.94Å; L294-A297 WeakPolarHBondContact O-CB 3.38Å; L294-A297 PolarHBondContact O-N 2.8Å; A297-Q302 HydrophobicContact CB-CB 3.88Å; A297-I303 HydrophobicContact CB-CG1 3.76Å
298	T	93.9	Very high	94.2	Very high	70 Å²	70	46 Å²	46	43%	0.429	24%	0.24	S	C	.	.			trans	-127.6	2.7	-177.4	57.8	0	0	0	0	112.8	F258 Q302	F258-T298 WeakPolarHBondContact CA-O 3.4Å; F258-T298 HydrophobicContact CD2-CG2 4.49Å; F258-T298 HydrophobicContact CE2-CG2 4.29Å; T298-Q302 PolarHBondContact OG1-OE1 2.9Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å
299	S	94.3	Very high	94.6	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.035	22%	0.216	C	C	.	.	S	Bend	trans	-144.2	155.2	178.1	65.7	0	0	0	0	110.9	N257 M301 Q302 I303	N257-S299 WeakPolarHBondContact ND2-CB 3.32Å; S299-M301 PolarHBondContact O-N 3.17Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; S299-Q302 PolarHBondContact OG-N 2.9Å; S299-I303 PolarHBondContact O-N 3.25Å
300	L	94.5	Very high	94.8	Very high	17 Å²	17	41 Å²	41	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-37.9	174.8	-70.2	171.9	0	0	0	111.1	I134 N257 M260 A261 M264 Q302 I303 D304	I134-L300 HydrophobicContact CD1-CD1 4.41Å; I134-L300 HydrophobicContact CD1-CD2 4.21Å; N257-L300 PolarHBondContact OD1-N 3.3Å; M260-L300 HydrophobicContact CB-CD1 3.88Å; M260-L300 HydrophobicContact CB-CD2 4.21Å; M260-L300 HydrophobicContact CB-CG 4.16Å; M260-L300 HydrophobicContact CE-CD1 3.83Å; M260-L300 HydrophobicContact SD-CD1 4.23Å; A261-L300 HydrophobicContact CB-CD2 4.48Å; A261-L300 HydrophobicContact CB-CG 4.48Å; M264-L300 HydrophobicContact CB-CD2 4.16Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 2.83Å; L300-I303 CarbonylContact O-C 3.53Å; L300-I303 PolarHBondContact O-N 3.24Å; L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 3.39Å
301	M	94.7	Very high	94.7	Very high	58 Å²	58	42.2 Å²	42.2	29%	0.286	21%	0.211	S	C	.	.	H	α-helix	trans	-55.1	-43.4	175.2	-170.1	-165.2	76.4	0	0	112.8	M247 S299 D304 D305 L317 Y321	M247-M301 HydrophobicContact CE-CB 4.19Å; M247-M301 HydrophobicContact CE-CE 3.47Å; M247-M301 VanDerWaalsContact CE-CE 3.47Å; M247-M301 HydrophobicContact CE-SD 3.68Å; S299-M301 PolarHBondContact O-N 3.17Å; M301-D304 PolarHBondContact O-N 2.87Å; M301-D305 WeakPolarHBondContact O-CB 3.44Å; M301-D305 PolarHBondContact O-N 3.33Å; M301-L317 HydrophobicContact CG-CD2 3.47Å; M301-L317 VanDerWaalsContact CG-CD2 3.47Å; M301-L317 HydrophobicContact SD-CD2 4.3Å; M301-Y321 WeakPolarHBondContact CA-OH 3.26Å
302	Q	95.5	Very high	94.5	Very high	69 Å²	69	42.6 Å²	42.6	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-67.9	-36	176.4	-75	176.3	-34.9	0	0	112	A297 T298 S299 L300 N306	A297-Q302 HydrophobicContact CB-CB 3.88Å; T298-Q302 PolarHBondContact OG1-OE1 2.9Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; S299-Q302 PolarHBondContact OG-N 2.9Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 2.83Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 VanDerWaalsContact O-CG 3.29Å; Q302-N306 PolarHBondContact O-N 3.06Å; Q302-N306 VanDerWaalsContact O-N 3.14Å; Q302-N306 PolarHBondContact O-ND2 3.32Å
303	I	96.5	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-42.7	176.5	-63.9	176.6	0	0	0	110.4	A261 M264 K265 I268 L294 A297 S299 L300 V307 M308	A261-I303 HydrophobicContact CB-CD1 3.93Å; A261-I303 WeakPolarHBondContact O-CD1 3.45Å; M264-I303 HydrophobicContact CB-CD1 3.99Å; M264-I303 HydrophobicContact CG-CD1 4.13Å; M264-I303 HydrophobicContact CG-CG2 3.97Å; K265-I303 HydrophobicContact CB-CD1 4.17Å; I268-I303 HydrophobicContact CD1-CG2 3.38Å; L294-I303 HydrophobicContact CD1-CG1 4.1Å; L294-I303 HydrophobicContact CD1-CG2 4.27Å; A297-I303 HydrophobicContact CB-CG1 3.76Å; S299-I303 PolarHBondContact O-N 3.25Å; L300-I303 CarbonylContact O-C 3.53Å; L300-I303 PolarHBondContact O-N 3.24Å; I303-V307 WeakPolarHBondContact O-CA 3.45Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 PolarHBondContact O-N 2.87Å; I303-M308 HydrophobicContact CG2-CE 4.27Å; I303-M308 HydrophobicContact CG2-CG 4.09Å; I303-M308 HydrophobicContact CG2-SD 4.42Å; I303-M308 PolarHBondContact O-N 3.05Å; I303-M308 VanDerWaalsContact O-N 3.17Å
304	D	96.3	Very high	94.2	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-45.2	178.8	-76.2	-30.1	0	0	0	111.7	L300 M301 M308 R309 L317 Y320 Y321	L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 3.39Å; M301-D304 PolarHBondContact O-N 2.87Å; D304-M308 PolarHBondContact O-N 3.19Å; D304-M308 WeakPolarHBondContact OD1-CG 3.32Å; D304-R309 WeakPolarHBondContact O-CB 3.5Å; D304-R309 VanDerWaalsContact O-CG 3.31Å; D304-R309 WeakPolarHBondContact O-CG 3.49Å; D304-R309 PolarHBondContact O-N 3.09Å; D304-L317 HydrophobicContact CB-CD1 3.77Å; D304-Y320 HydrophobicContact CB-CD1 4.31Å; D304-Y320 HydrophobicContact CB-CE1 3.8Å; D304-Y321 HydrophobicContact CB-CE1 3.97Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.29Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.46Å; D304-Y321 PolarHBondContact OD2-OH 3.32Å
305	D	95.1	Very high	94.1	Very high	56 Å²	56	41.6 Å²	41.6	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-37.7	-179.2	-170.6	29.3	0	0	0	113.1	M301 R309 L317	M301-D305 WeakPolarHBondContact O-CB 3.44Å; M301-D305 PolarHBondContact O-N 3.33Å; D305-R309 VanDerWaalsContact O-CZ 3.32Å; D305-R309 PolarHBondContact O-NE 3.12Å; D305-R309 PolarHBondContact O-NH2 3.36Å; D305-R309 IonicContact OD1-CZ 3.3Å; D305-R309 IonicContact OD1-NE 3.77Å; D305-R309 PolarHBondContact OD1-NE 3.02Å; D305-R309 IonicContact OD1-NH2 3.65Å; D305-R309 PolarHBondContact OD1-NH2 2.75Å; D305-L317 HydrophobicContact CB-CB 4.22Å; D305-L317 HydrophobicContact CB-CD1 4.1Å; D305-L317 HydrophobicContact CB-CD2 4.21Å; D305-L317 HydrophobicContact CB-CG 4.41Å
306	N	93.5	Very high	94.1	Very high	17 Å²	17	38 Å²	38	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-85.3	-30.3	-176.7	-67.1	-52.3	0	0	0	113.1	R293 Q302	R293-N306 HydrophobicContact CB-CB 4.15Å; R293-N306 WeakPolarHBondContact CD-OD1 3.41Å; R293-N306 PolarHBondContact NH1-OD1 2.67Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 VanDerWaalsContact O-CG 3.29Å; Q302-N306 PolarHBondContact O-N 3.06Å; Q302-N306 VanDerWaalsContact O-N 3.14Å; Q302-N306 PolarHBondContact O-ND2 3.32Å
307	V	94.2	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-64	-169.8	-175.6	0	0	0	0	111.7	I268 F276 L286 L294 I303 R309 K310 F311	I268-V307 HydrophobicContact CD1-CG1 4.46Å; I268-V307 HydrophobicContact CG2-CG1 4.35Å; F276-V307 HydrophobicContact CZ-CG2 4.42Å; L286-V307 HydrophobicContact CD1-CG1 3.89Å; L286-V307 HydrophobicContact CD2-CG1 4.24Å; L294-V307 HydrophobicContact CB-CG2 4.15Å; L294-V307 HydrophobicContact CD1-CG2 4.25Å; L294-V307 HydrophobicContact CD2-CG2 4.42Å; I303-V307 WeakPolarHBondContact O-CA 3.45Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 PolarHBondContact O-N 2.87Å; V307-R309 PolarHBondContact O-N 3.2Å; V307-K310 WeakPolarHBondContact O-CB 3.21Å; V307-K310 PolarHBondContact O-N 2.95Å; V307-K310 VanDerWaalsContact O-N 3.1Å; V307-F311 HydrophobicContact CG1-CE1 4.2Å; V307-F311 HydrophobicContact CG1-CE2 4.15Å; V307-F311 HydrophobicContact CG1-CZ 3.62Å
308	M	94.7	Very high	94.1	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-63.9	-41.2	-164.1	-52.5	-52.5	-144.6	0	0	113.5	M264 I268 I303 D304 K310 F311	M264-M308 HydrophobicContact CE-CE 3.93Å; M264-M308 HydrophobicContact CG-CE 3.73Å; M264-M308 HydrophobicContact SD-CE 3.25Å; M264-M308 WeakPolarHBondContact SD-CE 3.46Å; I268-M308 HydrophobicContact CD1-CE 3.64Å; I268-M308 HydrophobicContact CD1-SD 4.02Å; I268-M308 HydrophobicContact CG1-CE 4.01Å; I303-M308 HydrophobicContact CG2-CE 4.27Å; I303-M308 HydrophobicContact CG2-CG 4.09Å; I303-M308 HydrophobicContact CG2-SD 4.42Å; I303-M308 PolarHBondContact O-N 3.05Å; I303-M308 VanDerWaalsContact O-N 3.17Å; D304-M308 PolarHBondContact O-N 3.19Å; D304-M308 WeakPolarHBondContact OD1-CG 3.32Å; M308-K310 PolarHBondContact O-N 3.22Å; M308-F311 WeakPolarHBondContact O-CB 3.43Å; M308-F311 PolarHBondContact O-N 2.96Å; M308-F311 HydrophobicContact SD-CD2 4.13Å; M308-F311 HydrophobicContact SD-CE2 3.47Å; M308-F311 WeakPolarHBondContact SD-CE2 3.43Å; M308-F311 HydrophobicContact SD-CZ 4.37Å
309	R	95	Very high	94.3	Very high	39 Å²	39	39.6 Å²	39.6	15%	0.147	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.9	-26.3	-179.4	74.8	171.3	174.3	75	5	113.1	D304 D305 V307 F311 G313 Y314 N315 Y320	D304-R309 WeakPolarHBondContact O-CB 3.5Å; D304-R309 VanDerWaalsContact O-CG 3.31Å; D304-R309 WeakPolarHBondContact O-CG 3.49Å; D304-R309 PolarHBondContact O-N 3.09Å; D305-R309 VanDerWaalsContact O-CZ 3.32Å; D305-R309 PolarHBondContact O-NE 3.12Å; D305-R309 PolarHBondContact O-NH2 3.36Å; D305-R309 IonicContact OD1-CZ 3.3Å; D305-R309 IonicContact OD1-NE 3.77Å; D305-R309 PolarHBondContact OD1-NE 3.02Å; D305-R309 IonicContact OD1-NH2 3.65Å; D305-R309 PolarHBondContact OD1-NH2 2.75Å; V307-R309 PolarHBondContact O-N 3.2Å; R309-F311 VanDerWaalsContact C-N 3.34Å; R309-G313 PolarHBondContact O-N 3.23Å; R309-Y314 PolarHBondContact NH1-O 3.43Å; R309-Y314 WeakPolarHBondContact O-CD2 3.42Å; R309-Y314 PolarHBondContact O-N 3.48Å; R309-Y314 VanDerWaalsContact O-N 3.1Å; R309-N315 PolarHBondContact NH1-O 2.79Å; R309-Y320 HydrophobicContact CB-CD1 3.84Å; R309-Y320 HydrophobicContact CB-CD2 4.1Å; R309-Y320 HydrophobicContact CB-CG 3.6Å
310	K	93.4	Very high	94.4	Very high	44 Å²	44	39.4 Å²	39.4	19%	0.191	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75.7	-23.9	-177.6	-62.6	-170.9	-179.7	-168	0	112.3	L286 D290 V307 M308 H312 G313	L286-K310 HydrophobicContact CD2-CB 4.17Å; L286-K310 HydrophobicContact CD2-CD 3.9Å; D290-K310 WeakPolarHBondContact OD1-CE 3.13Å; D290-K310 IonicContact OD1-NZ 2.85Å; D290-K310 PolarHBondContact OD1-NZ 2.86Å; D290-K310 IonicContact OD2-NZ 2.83Å; D290-K310 PolarHBondContact OD2-NZ 3.36Å; V307-K310 WeakPolarHBondContact O-CB 3.21Å; V307-K310 PolarHBondContact O-N 2.95Å; V307-K310 VanDerWaalsContact O-N 3.1Å; M308-K310 PolarHBondContact O-N 3.22Å; K310-H312 PolarHBondContact O-N 2.9Å; K310-G313 PolarHBondContact O-N 3.42Å
311	F	91.3	Very high	94.5	Very high	27 Å²	27	39 Å²	39	12%	0.118	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.2	-32.4	178.8	-67.7	-33.2	0	0	0	113.7	R175 M176 T178 L275 L286 V307 M308 R309	R175-F311 HydrophobicContact CB-CB 3.86Å; R175-F311 HydrophobicContact CB-CD1 3.92Å; R175-F311 HydrophobicContact CB-CD2 4.46Å; R175-F311 HydrophobicContact CB-CG 3.85Å; M176-F311 HydrophobicContact CB-CD2 4.35Å; M176-F311 HydrophobicContact CB-CE2 3.73Å; M176-F311 HydrophobicContact CB-CZ 4.33Å; M176-F311 HydrophobicContact CG-CE2 4.15Å; M176-F311 HydrophobicContact CG-CZ 4.26Å; T178-F311 HydrophobicContact CG2-CB 4.48Å; T178-F311 HydrophobicContact CG2-CD2 4.39Å; L275-F311 HydrophobicContact CD1-CZ 4.27Å; L275-F311 HydrophobicContact CD2-CE1 3.87Å; L275-F311 HydrophobicContact CD2-CZ 3.99Å; L286-F311 HydrophobicContact CD1-CE1 3.72Å; L286-F311 HydrophobicContact CD1-CZ 4.32Å; V307-F311 HydrophobicContact CG1-CE1 4.2Å; V307-F311 HydrophobicContact CG1-CE2 4.15Å; V307-F311 HydrophobicContact CG1-CZ 3.62Å; M308-F311 WeakPolarHBondContact O-CB 3.43Å; M308-F311 PolarHBondContact O-N 2.96Å; M308-F311 HydrophobicContact SD-CD2 4.13Å; M308-F311 HydrophobicContact SD-CE2 3.47Å; M308-F311 WeakPolarHBondContact SD-CE2 3.43Å; M308-F311 HydrophobicContact SD-CZ 4.37Å; R309-F311 VanDerWaalsContact C-N 3.34Å
312	H	88.3	Confident	94.6	Very high	38 Å²	38	39.2 Å²	39.2	18%	0.176	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-110.7	10.1	176.3	-58.7	158.9	0	0	0	112.9	T178 W183 K310 Y314 E324	T178-H312 PolarHBondContact OG1-CE1 3.17Å; W183-H312 AromaticContact CH2-CD2 3.5Å; W183-H312 AromaticContact CH2-NE2 3.73Å; W183-H312 AromaticContact CZ3-CD2 3.69Å; W183-H312 AromaticContact CZ3-NE2 3.52Å; K310-H312 PolarHBondContact O-N 2.9Å; H312-Y314 HydrophobicContact CB-CD2 3.98Å; H312-Y314 HydrophobicContact CB-CE2 3.62Å; H312-E324 IonicContact ND1-OE1 2.72Å; H312-E324 PolarHBondContact ND1-OE1 2.81Å
313	G	90	Very high	94.7	Very high	16 Å²	16	39 Å²	39	17%	0.165	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	21.5	172.4	0	0	0	0	0	116.6	R309 K310	R309-G313 PolarHBondContact O-N 3.23Å; K310-G313 PolarHBondContact O-N 3.42Å
314	Y	93.8	Very high	94.7	Very high	40 Å²	40	39.1 Å²	39.1	16%	0.157	19%	0.194	C	C	.	.			trans	-67.7	134.4	175.6	-62.3	-74.2	0	0	0	111.3	R309 H312 S316 E319 Y320 E323 E324	R309-Y314 PolarHBondContact NH1-O 3.43Å; R309-Y314 WeakPolarHBondContact O-CD2 3.42Å; R309-Y314 PolarHBondContact O-N 3.48Å; R309-Y314 VanDerWaalsContact O-N 3.1Å; H312-Y314 HydrophobicContact CB-CD2 3.98Å; H312-Y314 HydrophobicContact CB-CE2 3.62Å; Y314-S316 PolarHBondContact O-N 3.16Å; Y314-E319 HydrophobicContact CD1-CG 3.93Å; Y314-Y320 AromaticContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CD2 3.45Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CE2 4.41Å; Y314-Y320 HydrophobicContact CD2-CG 4.12Å; Y314-Y320 AromaticContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CE2 4.26Å; Y314-Y320 HydrophobicContact CG-CD2 4.31Å; Y314-E323 HydrophobicContact CE1-CB 3.7Å; Y314-E323 HydrophobicContact CE1-CG 3.95Å; Y314-E324 HydrophobicContact CE2-CG 4.03Å; Y314-E324 WeakPolarHBondContact CE2-OE1 3.21Å; Y314-E324 PolarHBondContact OH-OE1 2.87Å
315	N	92.8	Very high	94.8	Very high	123 Å²	123	38.1 Å²	38.1	66%	0.658	19%	0.188	S	C	*	.	S	Bend	trans	-75.1	-28.4	-173.4	-59.9	-67.8	0	0	0	112.4	R309 E319	R309-N315 PolarHBondContact NH1-O 2.79Å; N315-E319 WeakPolarHBondContact CB-OE2 3.41Å; N315-E319 PolarHBondContact N-OE2 3.1Å; N315-E319 PolarHBondContact ND2-OE2 3.42Å
316	S	95.9	Very high	95	Very high	49 Å²	49	35.5 Å²	35.5	34%	0.343	17%	0.174	S	C	.	.	S	Bend	trans	-140.2	156.7	-179	70.2	0	0	0	0	112	Y314 K318 E319 Y320	Y314-S316 PolarHBondContact O-N 3.16Å; S316-K318 PolarHBondContact O-N 3.25Å; S316-E319 PolarHBondContact O-N 3.44Å; S316-E319 WeakPolarHBondContact OG-CB 3.25Å; S316-E319 PolarHBondContact OG-N 3.37Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; S316-Y320 PolarHBondContact O-N 2.9Å; S316-Y320 VanDerWaalsContact O-N 3.09Å
317	L	95.9	Very high	95.2	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.115	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-39.3	171.8	-179.2	65.5	0	0	0	112.2	M301 D304 D305 Y320 Y321	M301-L317 HydrophobicContact CG-CD2 3.47Å; M301-L317 VanDerWaalsContact CG-CD2 3.47Å; M301-L317 HydrophobicContact SD-CD2 4.3Å; D304-L317 HydrophobicContact CB-CD1 3.77Å; D305-L317 HydrophobicContact CB-CB 4.22Å; D305-L317 HydrophobicContact CB-CD1 4.1Å; D305-L317 HydrophobicContact CB-CD2 4.21Å; D305-L317 HydrophobicContact CB-CG 4.41Å; L317-Y320 HydrophobicContact CD1-CD1 4.13Å; L317-Y320 WeakPolarHBondContact O-CB 3.26Å; L317-Y320 PolarHBondContact O-N 2.85Å; L317-Y321 HydrophobicContact CD1-CD1 4.14Å; L317-Y321 HydrophobicContact CD1-CD2 4.12Å; L317-Y321 HydrophobicContact CD1-CE1 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 3.69Å; L317-Y321 HydrophobicContact CD1-CG 4.34Å; L317-Y321 HydrophobicContact CD2-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4Å; L317-Y321 HydrophobicContact CG-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CG 4.5Å; L317-Y321 WeakPolarHBondContact O-CB 3.34Å; L317-Y321 PolarHBondContact O-N 2.58Å
318	K	96.7	Very high	95.2	Very high	121 Å²	121	43 Å²	43	53%	0.526	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-49.4	179	-177.8	-175.3	171.2	-166	0	111.2	L240 S316 Y321 E322	L240-K318 HydrophobicContact CD1-CG 3.99Å; S316-K318 PolarHBondContact O-N 3.25Å; K318-Y321 PolarHBondContact O-N 2.96Å; K318-E322 WeakPolarHBondContact CE-OE1 3.39Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 IonicContact NZ-OE1 2.69Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.25Å; K318-E322 PolarHBondContact O-N 3.12Å
319	E	96.8	Very high	95.4	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-58.4	-48.6	177.5	-174.8	-174.3	-170.7	0	0	110.9	Y314 N315 S316 Y321 E322 E323	Y314-E319 HydrophobicContact CD1-CG 3.93Å; N315-E319 WeakPolarHBondContact CB-OE2 3.41Å; N315-E319 PolarHBondContact N-OE2 3.1Å; N315-E319 PolarHBondContact ND2-OE2 3.42Å; S316-E319 PolarHBondContact O-N 3.44Å; S316-E319 WeakPolarHBondContact OG-CB 3.25Å; S316-E319 PolarHBondContact OG-N 3.37Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; E319-Y321 PolarHBondContact O-N 3.12Å; E319-E322 PolarHBondContact O-N 2.82Å; E319-E323 WeakPolarHBondContact O-CB 3.07Å; E319-E323 WeakPolarHBondContact O-CG 3.26Å; E319-E323 PolarHBondContact O-N 2.79Å
320	Y	97.3	Very high	95.6	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-54	-51.2	174.9	170.6	-121.6	0	0	0	112	T178 Y179 D304 R309 Y314 S316 L317 E322 E324	T178-Y320 WeakPolarHBondContact CB-OH 3.39Å; T178-Y320 HydrophobicContact CG2-CE2 4.29Å; Y179-Y320 WeakPolarHBondContact CB-OH 3.46Å; Y179-Y320 PolarHBondContact N-OH 3.21Å; D304-Y320 HydrophobicContact CB-CD1 4.31Å; D304-Y320 HydrophobicContact CB-CE1 3.8Å; R309-Y320 HydrophobicContact CB-CD1 3.84Å; R309-Y320 HydrophobicContact CB-CD2 4.1Å; R309-Y320 HydrophobicContact CB-CG 3.6Å; Y314-Y320 AromaticContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CD2 3.45Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CE2 4.41Å; Y314-Y320 HydrophobicContact CD2-CG 4.12Å; Y314-Y320 AromaticContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CE2 4.26Å; Y314-Y320 HydrophobicContact CG-CD2 4.31Å; S316-Y320 PolarHBondContact O-N 2.9Å; S316-Y320 VanDerWaalsContact O-N 3.09Å; L317-Y320 HydrophobicContact CD1-CD1 4.13Å; L317-Y320 WeakPolarHBondContact O-CB 3.26Å; L317-Y320 PolarHBondContact O-N 2.85Å; Y320-E322 PolarHBondContact O-N 3.47Å; Y320-E324 HydrophobicContact CD2-CB 4.45Å; Y320-E324 HydrophobicContact CD2-CG 3.56Å; Y320-E324 HydrophobicContact CE2-CB 4.32Å; Y320-E324 HydrophobicContact CE2-CG 3.56Å; Y320-E324 WeakPolarHBondContact O-CB 3.38Å; Y320-E324 WeakPolarHBondContact O-CG 3.44Å; Y320-E324 PolarHBondContact O-N 3.03Å
321	Y	97.5	Very high	95.7	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-67.8	-33.5	-179.8	-76	-7.7	0	0	0	113.7	A239 Q243 M301 D304 L317 K318 E319 S325	A239-Y321 HydrophobicContact CB-CD1 3.57Å; A239-Y321 HydrophobicContact CB-CD2 4.18Å; A239-Y321 HydrophobicContact CB-CE1 3.98Å; A239-Y321 HydrophobicContact CB-CG 3.66Å; Q243-Y321 HydrophobicContact CB-CD2 4.33Å; Q243-Y321 HydrophobicContact CB-CE2 3.77Å; Q243-Y321 HydrophobicContact CG-CE2 4.44Å; M301-Y321 WeakPolarHBondContact CA-OH 3.26Å; D304-Y321 HydrophobicContact CB-CE1 3.97Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.29Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.46Å; D304-Y321 PolarHBondContact OD2-OH 3.32Å; L317-Y321 HydrophobicContact CD1-CD1 4.14Å; L317-Y321 HydrophobicContact CD1-CD2 4.12Å; L317-Y321 HydrophobicContact CD1-CE1 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 3.69Å; L317-Y321 HydrophobicContact CD1-CG 4.34Å; L317-Y321 HydrophobicContact CD2-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4Å; L317-Y321 HydrophobicContact CG-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CG 4.5Å; L317-Y321 WeakPolarHBondContact O-CB 3.34Å; L317-Y321 PolarHBondContact O-N 2.58Å; K318-Y321 PolarHBondContact O-N 2.96Å; E319-Y321 PolarHBondContact O-N 3.12Å; Y321-S325 WeakPolarHBondContact O-CB 3.35Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.33Å
322	E	96.6	Very high	96	Very high	62 Å²	62	48.1 Å²	48.1	29%	0.29	23%	0.226	S	C	.	.	H	α-helix	trans	-70.3	-45.3	176.8	-75.7	178.3	159.3	0	0	112.1	L240 K318 E319 Y320 R328	L240-E322 HydrophobicContact CD2-CG 3.73Å; K318-E322 WeakPolarHBondContact CE-OE1 3.39Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 IonicContact NZ-OE1 2.69Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.25Å; K318-E322 PolarHBondContact O-N 3.12Å; E319-E322 PolarHBondContact O-N 2.82Å; Y320-E322 PolarHBondContact O-N 3.47Å; E322-R328 WeakPolarHBondContact O-CD 3.28Å
323	E	96.9	Very high	96.5	Very high	65 Å²	65	46.4 Å²	46.4	30%	0.304	22%	0.218	S	C	.	.	H	α-helix	trans	-73.4	-35.9	-179.1	-66.9	-57.7	138.5	0	0	112.3	K215 Y314 E319 S325 R328 Y329	K215-E323 WeakPolarHBondContact CE-O 3.19Å; Y314-E323 HydrophobicContact CE1-CB 3.7Å; Y314-E323 HydrophobicContact CE1-CG 3.95Å; E319-E323 WeakPolarHBondContact O-CB 3.07Å; E319-E323 WeakPolarHBondContact O-CG 3.26Å; E319-E323 PolarHBondContact O-N 2.79Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.02Å; E323-R328 IonicContact OE1-CZ 3.69Å; E323-R328 IonicContact OE1-NH1 3.64Å; E323-R328 PolarHBondContact OE1-NH1 3.03Å; E323-R328 IonicContact OE2-NH1 3.9Å; E323-Y329 WeakPolarHBondContact O-CE2 3.45Å; E323-Y329 PolarHBondContact O-OH 2.87Å
324	E	97.2	Very high	96.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-86	-7.7	-176.4	-60.6	-106.8	157.2	0	0	113	T178 Y179 G180 C181 N211 H312 Y314 Y320	T178-E324 WeakPolarHBondContact CB-OE2 3.33Å; T178-E324 PolarHBondContact OG1-OE1 3.09Å; T178-E324 PolarHBondContact OG1-OE2 2.76Å; Y179-E324 HydrophobicContact CD1-CB 4.12Å; G180-E324 WeakPolarHBondContact CA-O 3.37Å; G180-E324 WeakPolarHBondContact CA-OE2 3.46Å; G180-E324 PolarHBondContact N-OE2 2.74Å; C181-E324 PolarHBondContact N-OE2 2.82Å; N211-E324 PolarHBondContact ND2-O 3.29Å; H312-E324 IonicContact ND1-OE1 2.72Å; H312-E324 PolarHBondContact ND1-OE1 2.81Å; Y314-E324 HydrophobicContact CE2-CG 4.03Å; Y314-E324 WeakPolarHBondContact CE2-OE1 3.21Å; Y314-E324 PolarHBondContact OH-OE1 2.87Å; Y320-E324 HydrophobicContact CD2-CB 4.45Å; Y320-E324 HydrophobicContact CD2-CG 3.56Å; Y320-E324 HydrophobicContact CE2-CB 4.32Å; Y320-E324 HydrophobicContact CE2-CG 3.56Å; Y320-E324 WeakPolarHBondContact O-CB 3.38Å; Y320-E324 WeakPolarHBondContact O-CG 3.44Å; Y320-E324 PolarHBondContact O-N 3.03Å
325	S	98.2	Very high	97.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	23%	0.231	C	C	.	.			trans	-82.4	123.3	177.5	-70.6	0	0	0	0	112.9	S238 A239 Y321 E323 M327 R328 Y329	S238-S325 WeakPolarHBondContact CA-OG 3.47Å; A239-S325 PolarHBondContact N-OG 2.98Å; Y321-S325 WeakPolarHBondContact O-CB 3.35Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.33Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.02Å; S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 VanDerWaalsContact O-N 3.1Å; S325-R328 PolarHBondContact O-N 3.17Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å
326	C	98.2	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61	-23.4	179.3	78.2	0	0	0	0	113.3	N211 C214 K215 Q235 R328 Y329 L330	N211-C326 VanDerWaalsContact O-CB 3.25Å; N211-C326 WeakPolarHBondContact O-CB 3.33Å; N211-C326 WeakPolarHBondContact OD1-CB 3.45Å; N211-C326 PolarHBondContact OD1-N 3.2Å; C214-C326 HydrophobicContact CB-CB 3.69Å; K215-C326 HydrophobicContact CB-CB 3.97Å; Q235-C326 PolarHBondContact OE1-SG 3.04Å; C326-R328 PolarHBondContact O-N 3.38Å; C326-Y329 WeakPolarHBondContact O-CA 3.38Å; C326-Y329 WeakPolarHBondContact O-CB 3.26Å; C326-Y329 PolarHBondContact O-N 2.92Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.3Å
327	M	97.3	Very high	97.5	Very high	60 Å²	60	43 Å²	43	30%	0.296	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-46.4	-37.9	179	-178.8	-178.3	70.1	0	0	113.4	Y237 S325 Y329 I355	Y237-M327 WeakPolarHBondContact O-CB 3.46Å; Y237-M327 PolarHBondContact O-N 3.07Å; Y237-M327 VanDerWaalsContact O-N 3.11Å; S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 VanDerWaalsContact O-N 3.1Å; M327-Y329 VanDerWaalsContact C-N 3.25Å; M327-Y329 PolarHBondContact O-N 2.86Å; M327-I355 HydrophobicContact CG-CD1 4.38Å; M327-I355 HydrophobicContact CG-CG2 4.02Å; M327-I355 HydrophobicContact SD-CD1 3.67Å; M327-I355 HydrophobicContact SD-CG1 4.06Å
328	R	96.1	Very high	97.7	Very high	116 Å²	116	42 Å²	42	44%	0.438	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-73.5	-16.3	179.5	-62.3	179.9	83.2	-169.5	3.3	113.6	E322 E323 S325 C326 H331	E322-R328 WeakPolarHBondContact O-CD 3.28Å; E323-R328 IonicContact OE1-CZ 3.69Å; E323-R328 IonicContact OE1-NH1 3.64Å; E323-R328 PolarHBondContact OE1-NH1 3.03Å; E323-R328 IonicContact OE2-NH1 3.9Å; S325-R328 PolarHBondContact O-N 3.17Å; C326-R328 PolarHBondContact O-N 3.38Å; R328-H331 PolarHBondContact O-CE1 3.24Å; R328-H331 PolarHBondContact O-ND1 2.85Å; R328-H331 VanDerWaalsContact O-ND1 3.14Å
329	Y	98.3	Very high	97.8	Very high	27 Å²	27	36.2 Å²	36.2	11%	0.106	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-22.6	-171.9	-56.8	-97.8	0	0	0	112.4	K215 E219 E323 S325 C326 M327 H331 R332	K215-Y329 HydrophobicContact CD-CD2 4.36Å; K215-Y329 HydrophobicContact CD-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CD1 4.42Å; K215-Y329 HydrophobicContact CG-CD2 3.96Å; K215-Y329 HydrophobicContact CG-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CG 4.18Å; E219-Y329 HydrophobicContact CG-CD1 3.88Å; E219-Y329 HydrophobicContact CG-CE1 3.85Å; E323-Y329 WeakPolarHBondContact O-CE2 3.45Å; E323-Y329 PolarHBondContact O-OH 2.87Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å; C326-Y329 WeakPolarHBondContact O-CA 3.38Å; C326-Y329 WeakPolarHBondContact O-CB 3.26Å; C326-Y329 PolarHBondContact O-N 2.92Å; M327-Y329 VanDerWaalsContact C-N 3.25Å; M327-Y329 PolarHBondContact O-N 2.86Å; Y329-H331 PolarHBondContact O-N 3.01Å; Y329-H331 VanDerWaalsContact O-N 3.07Å; Y329-R332 PolarHBondContact O-N 3.17Å
330	L	98.2	Very high	97.9	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-51.1	-37.3	-175.1	-72.5	173	0	0	0	114.2	C214 Y237 C326 R332 I333 L337 I355 L359	C214-L330 HydrophobicContact CB-CD2 3.74Å; Y237-L330 HydrophobicContact CD1-CD1 4.13Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.3Å; L330-R332 PolarHBondContact O-N 3.32Å; L330-R332 VanDerWaalsContact O-N 3.14Å; L330-I333 HydrophobicContact CD2-CD1 3.96Å; L330-I333 PolarHBondContact O-N 3.38Å; L330-I333 VanDerWaalsContact O-N 3.17Å; L330-L337 HydrophobicContact CD2-CD2 4.4Å; L330-I355 HydrophobicContact CD1-CG2 4.02Å; L330-L359 HydrophobicContact CB-CD1 4.46Å; L330-L359 HydrophobicContact CB-CD2 3.79Å; L330-L359 HydrophobicContact CD1-CD2 4.03Å; L330-L359 HydrophobicContact CD2-CD2 4.33Å; L330-L359 HydrophobicContact CG-CD2 4.26Å
331	H	96.7	Very high	97.9	Very high	91 Å²	91	33 Å²	33	42%	0.421	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-69	-8.3	-179	71.5	-85.5	0	0	0	114.3	R328 Y329 R363	R328-H331 PolarHBondContact O-CE1 3.24Å; R328-H331 PolarHBondContact O-ND1 2.85Å; R328-H331 VanDerWaalsContact O-ND1 3.14Å; Y329-H331 PolarHBondContact O-N 3.01Å; Y329-H331 VanDerWaalsContact O-N 3.07Å; H331-R363 PolarHBondContact O-NH2 3.4Å
332	R	98.1	Very high	97.9	Very high	96 Å²	96	32.6 Å²	32.6	36%	0.362	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-104.5	8.6	177	-57.1	-167.4	-64.9	-150.6	-0.6	112.8	G218 Q224 Y329 L330 Y334	G218-R332 VanDerWaalsContact O-CZ 3.24Å; G218-R332 PolarHBondContact O-NE 2.78Å; G218-R332 PolarHBondContact O-NH2 2.96Å; Q224-R332 PolarHBondContact NE2-O 2.78Å; Y329-R332 PolarHBondContact O-N 3.17Å; L330-R332 PolarHBondContact O-N 3.32Å; L330-R332 VanDerWaalsContact O-N 3.14Å; R332-Y334 VanDerWaalsContact O-CD2 3.25Å; R332-Y334 WeakPolarHBondContact O-CD2 3.37Å; R332-Y334 WeakPolarHBondContact O-CE2 3.33Å
333	I	98.5	Very high	97.9	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.148	C	C	.	.			trans	-92.3	118.1	173.3	-54.6	175	0	0	0	108.4	C214 L217 L330 V335 L337 N365	C214-I333 HydrophobicContact CB-CD1 4.1Å; C214-I333 WeakPolarHBondContact O-CD1 3.23Å; L217-I333 HydrophobicContact CB-CD1 4.29Å; L217-I333 HydrophobicContact CB-CG1 4.08Å; L217-I333 HydrophobicContact CB-CG2 4.45Å; L330-I333 HydrophobicContact CD2-CD1 3.96Å; L330-I333 PolarHBondContact O-N 3.38Å; L330-I333 VanDerWaalsContact O-N 3.17Å; I333-V335 HydrophobicContact CG2-CG2 3.78Å; I333-L337 HydrophobicContact CD1-CD2 4.08Å; I333-L337 HydrophobicContact CG2-CD2 4.4Å; I333-N365 PolarHBondContact O-ND2 2.85Å
334	Y	98.1	Very high	97.8	Very high	124 Å²	124	30.7 Å²	30.7	49%	0.486	14%	0.142	S	C	.	.			trans	-107.6	-21.3	-176.7	-58.1	-80.5	0	0	0	113.2	R332 N365	R332-Y334 VanDerWaalsContact O-CD2 3.25Å; R332-Y334 WeakPolarHBondContact O-CD2 3.37Å; R332-Y334 WeakPolarHBondContact O-CE2 3.33Å; Y334-N365 PolarHBondContact O-ND2 3.1Å
335	V	98.4	Very high	97.7	Very high	16 Å²	16	30.7 Å²	30.7	10%	0.097	14%	0.142	C	C	.	.	S	Bend	trans	-64.9	153.1	171.7	-60.8	0	0	0	0	110.6	L217 Q224 V227 I333 L337 N365	L217-V335 HydrophobicContact CD1-CG2 4.32Å; Q224-V335 HydrophobicContact CB-CG1 4.12Å; V227-V335 HydrophobicContact CB-CG1 4.15Å; V227-V335 HydrophobicContact CG1-CB 4.37Å; V227-V335 HydrophobicContact CG1-CG1 4.25Å; V227-V335 HydrophobicContact CG1-CG2 4Å; V227-V335 VanDerWaalsContact O-CG1 3.28Å; V227-V335 WeakPolarHBondContact O-CG1 3.31Å; I333-V335 HydrophobicContact CG2-CG2 3.78Å; V335-L337 PolarHBondContact O-N 3.25Å; V335-N365 PolarHBondContact O-ND2 3.2Å
336	P	98.6	Very high	97.5	Very high	16 Å²	16	30.8 Å²	30.8	10%	0.104	14%	0.143	C	C	.	.			trans	-48.1	125.6	169.8	-28.7	33.9	0	0	0	112	L51 L228 C229 C230 N365 I404	L51-P336 HydrophobicContact CD2-CB 4.12Å; L51-P336 HydrophobicContact CD2-CG 3.96Å; L228-P336 VanDerWaalsContact O-CD 3.3Å; L228-P336 WeakPolarHBondContact O-CD 3.46Å; C229-P336 CarbonylContact C-O 3.6Å; C229-P336 WeakPolarHBondContact CA-O 3.19Å; C229-P336 HydrophobicContact CB-CB 3.96Å; C229-P336 WeakPolarHBondContact CB-O 3.48Å; C230-P336 PolarHBondContact N-O 2.96Å; P336-N365 CarbonylContact C-O 3.6Å; P336-N365 WeakPolarHBondContact CA-O 3.34Å; P336-I404 HydrophobicContact CB-CD1 3.71Å; P336-I404 HydrophobicContact CG-CD1 4.09Å
337	L	98.8	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.6	-175.3	175.6	64.9	0	0	0	110	C230 L330 I333 V335 L339 L359 N365 V366 M367	C230-L337 HydrophobicContact CB-CD1 3.7Å; C230-L337 CarbonylContact O-C 3.58Å; C230-L337 WeakPolarHBondContact O-CA 3.3Å; L330-L337 HydrophobicContact CD2-CD2 4.4Å; I333-L337 HydrophobicContact CD1-CD2 4.08Å; I333-L337 HydrophobicContact CG2-CD2 4.4Å; V335-L337 PolarHBondContact O-N 3.25Å; L337-L339 HydrophobicContact CD1-CD2 3.84Å; L337-L339 HydrophobicContact CD1-CG 4.49Å; L337-L339 HydrophobicContact CD2-CD1 4.31Å; L337-L339 HydrophobicContact CD2-CD2 4.06Å; L337-L339 HydrophobicContact CD2-CG 4.25Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-L339 HydrophobicContact CG-CG 4.05Å; L337-L359 HydrophobicContact CD2-CD2 4.46Å; L337-N365 PolarHBondContact N-O 3.21Å; L337-V366 HydrophobicContact CB-CG2 4.25Å; L337-V366 HydrophobicContact CD2-CG1 4.34Å; L337-V366 HydrophobicContact CD2-CG2 4.2Å; L337-V366 WeakPolarHBondContact O-CA 3.37Å; L337-M367 PolarHBondContact O-N 2.75Å
338	M	98.8	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.6	169.8	-173.4	171.5	63.5	0	0	110.4	L62 C230 V231 S232 V340 M367 V369 L396 Y400	L62-M338 HydrophobicContact CD2-SD 4.26Å; C230-M338 PolarHBondContact O-N 3.3Å; V231-M338 WeakPolarHBondContact CA-O 3.27Å; V231-M338 HydrophobicContact CB-CE 4.38Å; V231-M338 HydrophobicContact CG1-CB 4.43Å; V231-M338 HydrophobicContact CG1-CE 3.51Å; V231-M338 HydrophobicContact CG2-CB 4.37Å; V231-M338 HydrophobicContact CG2-CE 3.93Å; S232-M338 PolarHBondContact N-O 3.19Å; M338-V340 HydrophobicContact CE-CG2 4.15Å; M338-V340 HydrophobicContact CG-CG2 3.92Å; M338-V340 HydrophobicContact SD-CG2 4.28Å; M338-M367 CarbonylContact C-O 3.5Å; M338-M367 WeakPolarHBondContact CA-O 3.28Å; M338-V369 HydrophobicContact CG-CG2 3.9Å; M338-V369 HydrophobicContact SD-CG2 3.92Å; M338-L396 HydrophobicContact CE-CD2 4.15Å; M338-L396 HydrophobicContact CE-CG 3.97Å; M338-L396 HydrophobicContact SD-CD1 4.46Å; M338-L396 HydrophobicContact SD-CD2 4.29Å; M338-L396 HydrophobicContact SD-CG 4.39Å; M338-Y400 HydrophobicContact CB-CD1 4.21Å; M338-Y400 HydrophobicContact CB-CD2 4.24Å; M338-Y400 HydrophobicContact CB-CE1 3.82Å; M338-Y400 HydrophobicContact CB-CE2 3.84Å; M338-Y400 HydrophobicContact CB-CG 4.42Å; M338-Y400 VanDerWaalsContact CE-CB 3.46Å; M338-Y400 HydrophobicContact CE-CD1 3.77Å; M338-Y400 HydrophobicContact CE-CD2 3.89Å; M338-Y400 HydrophobicContact CE-CE1 4.5Å; M338-Y400 HydrophobicContact CE-CG 3.42Å; M338-Y400 VanDerWaalsContact CE-CG 3.42Å; M338-Y400 HydrophobicContact CG-CD2 4.41Å; M338-Y400 HydrophobicContact CG-CE2 4.33Å; M338-Y400 HydrophobicContact SD-CD1 4.32Å; M338-Y400 HydrophobicContact SD-CD2 3.44Å; M338-Y400 WeakPolarHBondContact SD-CD2 3.47Å; M338-Y400 HydrophobicContact SD-CE2 3.92Å; M338-Y400 HydrophobicContact SD-CG 3.66Å
339	L	98.8	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.4	177	-59.9	177.4	0	0	0	107.9	Y237 L337 P356 L359 V366 M367 F368 V369	Y237-L339 HydrophobicContact CE1-CD1 4.05Å; Y237-L339 HydrophobicContact CE1-CD2 4.15Å; L337-L339 HydrophobicContact CD1-CD2 3.84Å; L337-L339 HydrophobicContact CD1-CG 4.49Å; L337-L339 HydrophobicContact CD2-CD1 4.31Å; L337-L339 HydrophobicContact CD2-CD2 4.06Å; L337-L339 HydrophobicContact CD2-CG 4.25Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-L339 HydrophobicContact CG-CG 4.05Å; L339-P356 HydrophobicContact CB-CB 4.3Å; L339-P356 HydrophobicContact CD1-CB 3.66Å; L339-L359 HydrophobicContact CD1-CD2 4.18Å; L339-V366 HydrophobicContact CD1-CG1 3.97Å; L339-V366 HydrophobicContact CG-CG1 4.45Å; L339-M367 PolarHBondContact N-O 2.99Å; L339-F368 HydrophobicContact CB-CB 4.45Å; L339-F368 HydrophobicContact CB-CD2 3.85Å; L339-F368 CarbonylContact O-C 3.5Å; L339-F368 WeakPolarHBondContact O-CA 3.22Å; L339-F368 VanDerWaalsContact O-CD2 3.28Å; L339-F368 WeakPolarHBondContact O-CD2 3.44Å; L339-V369 PolarHBondContact O-N 3.09Å
340	V	98.8	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125	-176.5	-170.9	0	0	0	0	109.5	S232 V233 C234 M338 V369 F379 W392 L396	S232-V340 PolarHBondContact O-N 3.35Å; V233-V340 CarbonylContact C-O 3.49Å; V233-V340 WeakPolarHBondContact CA-O 3.21Å; V233-V340 HydrophobicContact CB-CB 4.47Å; V233-V340 HydrophobicContact CG1-CB 4.12Å; V233-V340 HydrophobicContact CG1-CG1 4.31Å; V233-V340 HydrophobicContact CG2-CB 4.27Å; V233-V340 HydrophobicContact CG2-CG2 4.46Å; C234-V340 PolarHBondContact N-O 3.4Å; M338-V340 HydrophobicContact CE-CG2 4.15Å; M338-V340 HydrophobicContact CG-CG2 3.92Å; M338-V340 HydrophobicContact SD-CG2 4.28Å; V340-V369 WeakPolarHBondContact CA-O 3.4Å; V340-V369 HydrophobicContact CG1-CB 4.5Å; V340-V369 HydrophobicContact CG2-CB 4.26Å; V340-F379 HydrophobicContact CG1-CZ 4.3Å; V340-W392 HydrophobicContact CG1-CZ3 4.14Å; V340-L396 HydrophobicContact CG1-CD2 4.3Å; V340-L396 HydrophobicContact CG2-CD2 4Å
341	N	98.5	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.			trans	-137.3	156.9	170	-73.5	92.2	0	0	0	108.8	Q235 Y237 L353 F368 V369 L370 P371	Q235-N341 PolarHBondContact O-ND2 3.42Å; Q235-N341 VanDerWaalsContact O-ND2 3.11Å; Y237-N341 WeakPolarHBondContact CE2-OD1 3.45Å; Y237-N341 PolarHBondContact OH-OD1 2.78Å; N341-L353 HydrophobicContact CB-CD2 3.7Å; N341-F368 HydrophobicContact CB-CE2 3.98Å; N341-F368 HydrophobicContact CB-CZ 4.24Å; N341-V369 PolarHBondContact N-O 2.73Å; N341-V369 VanDerWaalsContact N-O 3.16Å; N341-L370 HydrophobicContact CB-CD1 4.26Å; N341-L370 WeakPolarHBondContact O-CA 3.42Å; N341-L370 VanDerWaalsContact O-CD1 3.24Å; N341-L370 WeakPolarHBondContact O-CD1 3.25Å; N341-P371 WeakPolarHBondContact O-CD 3.49Å
342	A	97.6	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.			trans	-96.7	141.9	169.1	0	0	0	0	0	110.2	D344 D345 P371 F379	A342-D344 WeakPolarHBondContact CB-OD1 3.5Å; A342-D344 PolarHBondContact O-N 3.35Å; A342-D345 HydrophobicContact CB-CB 4.4Å; A342-D345 VanDerWaalsContact O-CB 3.29Å; A342-D345 WeakPolarHBondContact O-CB 3.4Å; A342-D345 PolarHBondContact O-N 3.25Å; A342-P371 WeakPolarHBondContact CA-O 3.5Å; A342-F379 HydrophobicContact CB-CE1 4.04Å; A342-F379 HydrophobicContact CB-CZ 4Å
343	A	96.4	Very high	96.5	Very high	52 Å²	52	24 Å²	24	43%	0.43	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.3	179	0	0	0	0	0	112.6	L370 P371 L372	A343-L370 HydrophobicContact CB-CD1 4.08Å; A343-L370 HydrophobicContact CB-CG 4.29Å; A343-P371 PolarHBondContact N-O 3.1Å; A343-L372 HydrophobicContact CB-CD1 4.35Å
344	D	94.7	Very high	96.5	Very high	35 Å²	35	27.1 Å²	27.1	19%	0.187	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12.3	175.8	73.7	-19.7	0	0	0	113.8	G76 A342 P346 L372 H373 G374 G375	G76-D344 WeakPolarHBondContact CA-OD2 3.48Å; G76-D344 PolarHBondContact N-OD2 3.24Å; A342-D344 WeakPolarHBondContact CB-OD1 3.5Å; A342-D344 PolarHBondContact O-N 3.35Å; D344-P346 VanDerWaalsContact O-CD 3.32Å; D344-P346 WeakPolarHBondContact O-CD 3.08Å; D344-L372 PolarHBondContact N-O 3.38Å; D344-H373 WeakPolarHBondContact OD1-CA 3.32Å; D344-H373 IonicContact OD2-ND1 3.02Å; D344-G374 PolarHBondContact OD1-N 2.8Å; D344-G374 PolarHBondContact OD2-N 2.76Å; D344-G375 PolarHBondContact OD1-N 3.21Å
345	D	95.3	Very high	96.5	Very high	3 Å²	3	22 Å²	22	2%	0.016	13%	0.127	C	C	.	.			trans	-61.7	116	177.9	-171.5	-35.9	0	0	0	110.3	A342 L347 V348 H376	A342-D345 HydrophobicContact CB-CB 4.4Å; A342-D345 VanDerWaalsContact O-CB 3.29Å; A342-D345 WeakPolarHBondContact O-CB 3.4Å; A342-D345 PolarHBondContact O-N 3.25Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 2.82Å; D345-L347 WeakPolarHBondContact OD1-CA 3.5Å; D345-L347 WeakPolarHBondContact OD1-CB 3.44Å; D345-L347 PolarHBondContact OD1-N 3.5Å; D345-V348 HydrophobicContact CB-CB 4.19Å; D345-V348 PolarHBondContact OD1-N 2.88Å; D345-V348 VanDerWaalsContact OD1-N 3.07Å; D345-V348 WeakPolarHBondContact OD2-CG2 3.45Å; D345-H376 WeakPolarHBondContact OD1-CB 3.46Å; D345-H376 IonicContact OD1-CG 3.79Å; D345-H376 IonicContact OD1-ND1 3.83Å; D345-H376 PolarHBondContact OD1-ND1 2.87Å; D345-H376 IonicContact OD2-CE1 3.55Å; D345-H376 IonicContact OD2-CG 2.65Å; D345-H376 IonicContact OD2-ND1 2.68Å; D345-H376 PolarHBondContact OD2-ND1 2.85Å
346	P	92.8	Very high	96.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.013	12%	0.122	C	C	.	.	S	Bend	trans	-72.2	-20.8	-177.3	30.7	-35.6	0	0	0	112.5	H77 T80 R253 Y256 D344	H77-P346 VanDerWaalsContact CE1-CB 3.47Å; H77-P346 WeakPolarHBondContact CE1-CB 3.5Å; T80-P346 HydrophobicContact CG2-CG 4.04Å; T80-P346 VanDerWaalsContact OG1-CD 3.27Å; T80-P346 WeakPolarHBondContact OG1-CD 3.47Å; T80-P346 VanDerWaalsContact OG1-CG 3.26Å; T80-P346 WeakPolarHBondContact OG1-CG 3.27Å; R253-P346 WeakPolarHBondContact CD-O 3.41Å; R253-P346 WeakPolarHBondContact CG-O 3.26Å; R253-P346 PolarHBondContact NE-O 2.93Å; Y256-P346 HydrophobicContact CD2-CB 4.33Å; Y256-P346 HydrophobicContact CE2-CB 3.79Å; Y256-P346 HydrophobicContact CE2-CG 3.99Å; D344-P346 VanDerWaalsContact O-CD 3.32Å; D344-P346 WeakPolarHBondContact O-CD 3.08Å
347	L	92.5	Very high	96.5	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.073	13%	0.126	C	C	.	.	S	Bend	trans	-91	-33.6	-179	-54	-171.3	0	0	0	112.4	F246 Y256 M260 D345 H349 H376	F246-L347 HydrophobicContact CE1-CB 4.4Å; F246-L347 HydrophobicContact CE1-CD2 4.49Å; Y256-L347 HydrophobicContact CD1-CD2 4.15Å; Y256-L347 HydrophobicContact CD2-CD2 3.98Å; Y256-L347 HydrophobicContact CG-CD2 3.59Å; M260-L347 HydrophobicContact SD-CD1 4Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 2.82Å; D345-L347 WeakPolarHBondContact OD1-CA 3.5Å; D345-L347 WeakPolarHBondContact OD1-CB 3.44Å; D345-L347 PolarHBondContact OD1-N 3.5Å; L347-H349 PolarHBondContact O-N 2.84Å; L347-H376 HydrophobicContact CD1-CB 4.08Å; L347-H376 HydrophobicContact CG-CB 4.16Å
348	V	94.5	Very high	96.4	Very high	7 Å²	7	25 Å²	25	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	-95.5	95.6	-179.9	-173.8	0	0	0	0	109.8	D345 L352 L353	D345-V348 HydrophobicContact CB-CB 4.19Å; D345-V348 PolarHBondContact OD1-N 2.88Å; D345-V348 VanDerWaalsContact OD1-N 3.07Å; D345-V348 WeakPolarHBondContact OD2-CG2 3.45Å; V348-L352 HydrophobicContact CG1-CB 4.06Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; V348-L353 HydrophobicContact CG1-CD2 3.68Å; V348-L353 HydrophobicContact CG1-CG 4.47Å
349	H	94.3	Very high	96.4	Very high	40 Å²	40	26 Å²	26	19%	0.185	15%	0.149	C	C	.	.			trans	-62.2	146.7	176.9	-178.3	-93.9	0	0	0	112.1	T245 L347 S351 L352	T245-H349 HydrophobicContact CG2-CB 3.69Å; L347-H349 PolarHBondContact O-N 2.84Å; H349-S351 VanDerWaalsContact ND1-CB 3.34Å; H349-S351 WeakPolarHBondContact ND1-CB 3.49Å; H349-S351 PolarHBondContact ND1-N 2.96Å; H349-S351 PolarHBondContact ND1-OG 3.23Å; H349-S351 PolarHBondContact O-N 3.46Å; H349-S351 VanDerWaalsContact O-N 3.09Å; H349-L352 WeakPolarHBondContact O-CB 3.33Å; H349-L352 PolarHBondContact O-N 3.13Å
350	E	93.4	Very high	96.3	Very high	138 Å²	138	26 Å²	26	65%	0.645	15%	0.149	S	C	*	.	H	α-helix	trans	-54.9	-33.9	-175.6	-175	176.9	-174.6	0	0	113.4	L352 L353	E350-L352 PolarHBondContact O-N 3.45Å; E350-L352 VanDerWaalsContact O-N 3.17Å; E350-L353 WeakPolarHBondContact O-CB 3.31Å; E350-L353 PolarHBondContact O-N 2.82Å
351	S	94.4	Very high	96.2	Very high	49 Å²	49	31.4 Å²	31.4	34%	0.343	17%	0.174	S	C	.	.	H	α-helix	trans	-58.7	-28.2	175.7	68.2	0	0	0	0	113.4	H349 T354	H349-S351 VanDerWaalsContact ND1-CB 3.34Å; H349-S351 WeakPolarHBondContact ND1-CB 3.49Å; H349-S351 PolarHBondContact ND1-N 2.96Å; H349-S351 PolarHBondContact ND1-OG 3.23Å; H349-S351 PolarHBondContact O-N 3.46Å; H349-S351 VanDerWaalsContact O-N 3.09Å; S351-T354 PolarHBondContact O-OG1 3.18Å
352	L	96.7	Very high	96.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-75.5	-28.6	175.4	-60.8	173.5	0	0	0	111.8	R241 A242 V348 H349 E350 T354 I355 P356	R241-L352 HydrophobicContact CB-CD2 3.53Å; A242-L352 HydrophobicContact CB-CD1 3.88Å; A242-L352 HydrophobicContact CB-CD2 4.41Å; V348-L352 HydrophobicContact CG1-CB 4.06Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; H349-L352 WeakPolarHBondContact O-CB 3.33Å; H349-L352 PolarHBondContact O-N 3.13Å; E350-L352 PolarHBondContact O-N 3.45Å; E350-L352 VanDerWaalsContact O-N 3.17Å; L352-T354 PolarHBondContact O-N 3.39Å; L352-I355 WeakPolarHBondContact O-CB 2.8Å; L352-I355 PolarHBondContact O-N 3.48Å; L352-I355 VanDerWaalsContact O-N 3.15Å; L352-P356 VanDerWaalsContact O-CD 3.31Å; L352-P356 WeakPolarHBondContact O-CD 3.33Å
353	L	97.7	Very high	96.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-15	178.8	-53.5	-177.3	0	0	0	112.7	N341 V348 E350 I355 P356 K357 F368 L370	N341-L353 HydrophobicContact CB-CD2 3.7Å; V348-L353 HydrophobicContact CG1-CD2 3.68Å; V348-L353 HydrophobicContact CG1-CG 4.47Å; E350-L353 WeakPolarHBondContact O-CB 3.31Å; E350-L353 PolarHBondContact O-N 2.82Å; L353-I355 PolarHBondContact O-N 2.68Å; L353-P356 VanDerWaalsContact O-CD 3.29Å; L353-P356 WeakPolarHBondContact O-CD 3.34Å; L353-P356 WeakPolarHBondContact O-CG 3.46Å; L353-K357 VanDerWaalsContact O-CG 3.23Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.26Å; L353-F368 HydrophobicContact CD2-CZ 4.25Å; L353-L370 HydrophobicContact CD1-CD1 4.08Å; L353-L370 HydrophobicContact CD1-CD2 4.41Å
354	T	97.3	Very high	96.2	Very high	66 Å²	66	45.9 Å²	45.9	41%	0.405	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-29.7	170.8	64.5	0	0	0	0	112.3	S351 L352 S358	S351-T354 PolarHBondContact O-OG1 3.18Å; L352-T354 PolarHBondContact O-N 3.39Å; T354-S358 WeakPolarHBondContact O-CB 3.4Å; T354-S358 PolarHBondContact O-N 3.25Å; T354-S358 PolarHBondContact O-OG 3.36Å
355	I	97.9	Very high	96.3	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-57.5	-178.2	-59.8	163.5	0	0	0	111.6	Y237 M327 L330 L352 L353 K357 L359	Y237-I355 HydrophobicContact CD1-CG2 4.36Å; Y237-I355 HydrophobicContact CG-CB 4.34Å; Y237-I355 HydrophobicContact CG-CG2 4.19Å; M327-I355 HydrophobicContact CG-CD1 4.38Å; M327-I355 HydrophobicContact CG-CG2 4.02Å; M327-I355 HydrophobicContact SD-CD1 3.67Å; M327-I355 HydrophobicContact SD-CG1 4.06Å; L330-I355 HydrophobicContact CD1-CG2 4.02Å; L352-I355 WeakPolarHBondContact O-CB 2.8Å; L352-I355 PolarHBondContact O-N 3.48Å; L352-I355 VanDerWaalsContact O-N 3.15Å; L353-I355 PolarHBondContact O-N 2.68Å; I355-K357 PolarHBondContact O-N 3.31Å; I355-L359 WeakPolarHBondContact O-CB 3.26Å; I355-L359 PolarHBondContact O-N 2.7Å; I355-L359 VanDerWaalsContact O-N 3.08Å
356	P	98.3	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-38.5	178	26.9	-37.2	0	0	0	112.3	Y237 L339 L352 L353 L359 S360 F368	Y237-P356 HydrophobicContact CD2-CG 4.43Å; Y237-P356 HydrophobicContact CE1-CB 4.04Å; Y237-P356 HydrophobicContact CE1-CG 4.27Å; Y237-P356 HydrophobicContact CE2-CB 4.33Å; Y237-P356 HydrophobicContact CE2-CG 3.67Å; L339-P356 HydrophobicContact CB-CB 4.3Å; L339-P356 HydrophobicContact CD1-CB 3.66Å; L352-P356 VanDerWaalsContact O-CD 3.31Å; L352-P356 WeakPolarHBondContact O-CD 3.33Å; L353-P356 VanDerWaalsContact O-CD 3.29Å; L353-P356 WeakPolarHBondContact O-CD 3.34Å; L353-P356 WeakPolarHBondContact O-CG 3.46Å; P356-L359 PolarHBondContact O-N 2.87Å; P356-S360 PolarHBondContact O-N 3.35Å; P356-S360 PolarHBondContact O-OG 3.21Å; P356-F368 HydrophobicContact CB-CB 4.21Å; P356-F368 HydrophobicContact CB-CD1 4.14Å; P356-F368 HydrophobicContact CB-CD2 3.62Å; P356-F368 HydrophobicContact CB-CE1 4.45Å; P356-F368 HydrophobicContact CB-CE2 3.98Å; P356-F368 HydrophobicContact CB-CG 3.73Å; P356-F368 HydrophobicContact CB-CZ 4.38Å; P356-F368 HydrophobicContact CG-CD1 4.18Å; P356-F368 HydrophobicContact CG-CD2 3.92Å; P356-F368 HydrophobicContact CG-CE1 4.01Å; P356-F368 HydrophobicContact CG-CE2 3.74Å; P356-F368 HydrophobicContact CG-CG 4.16Å; P356-F368 HydrophobicContact CG-CZ 3.78Å
357	K	98.2	Very high	96.7	Very high	44 Å²	44	45.9 Å²	45.9	19%	0.191	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-54.6	176.1	-71.6	177.4	-175.7	-171.1	0	111.6	Y45 L353 I355 L359 S360 E361 F368	Y45-K357 HydrophobicContact CD1-CG 4.09Å; Y45-K357 HydrophobicContact CD2-CG 4.2Å; Y45-K357 HydrophobicContact CE1-CD 4.03Å; Y45-K357 HydrophobicContact CE1-CG 4.05Å; Y45-K357 HydrophobicContact CE2-CD 4.33Å; Y45-K357 HydrophobicContact CE2-CG 4.12Å; Y45-K357 HydrophobicContact CG-CG 4.18Å; Y45-K357 VanDerWaalsContact OH-CE 3.32Å; Y45-K357 WeakPolarHBondContact OH-CE 3.32Å; Y45-K357 PolarHBondContact OH-NZ 2.86Å; L353-K357 VanDerWaalsContact O-CG 3.23Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.26Å; I355-K357 PolarHBondContact O-N 3.31Å; K357-L359 PolarHBondContact O-N 3.1Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.3Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 3.3Å; K357-F368 HydrophobicContact CD-CE1 4.41Å; K357-F368 HydrophobicContact CG-CD1 3.65Å; K357-F368 HydrophobicContact CG-CE1 3.61Å
358	S	97.9	Very high	97	Very high	51 Å²	51	45.2 Å²	45.2	36%	0.357	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-26.4	178.9	-69	0	0	0	0	113.6	T354 K362	T354-S358 WeakPolarHBondContact O-CB 3.4Å; T354-S358 PolarHBondContact O-N 3.25Å; T354-S358 PolarHBondContact O-OG 3.36Å; S358-K362 WeakPolarHBondContact O-CD 3Å; S358-K362 VanDerWaalsContact O-CG 3.27Å; S358-K362 WeakPolarHBondContact O-CG 3.44Å
359	L	98.1	Very high	97.2	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-73.9	-48.2	175.4	-178	67.5	0	0	0	111.2	L330 L337 L339 I355 P356 K357 E361 K362 R363 V366	L330-L359 HydrophobicContact CB-CD1 4.46Å; L330-L359 HydrophobicContact CB-CD2 3.79Å; L330-L359 HydrophobicContact CD1-CD2 4.03Å; L330-L359 HydrophobicContact CD2-CD2 4.33Å; L330-L359 HydrophobicContact CG-CD2 4.26Å; L337-L359 HydrophobicContact CD2-CD2 4.46Å; L339-L359 HydrophobicContact CD1-CD2 4.18Å; I355-L359 WeakPolarHBondContact O-CB 3.26Å; I355-L359 PolarHBondContact O-N 2.7Å; I355-L359 VanDerWaalsContact O-N 3.08Å; P356-L359 PolarHBondContact O-N 2.87Å; K357-L359 PolarHBondContact O-N 3.1Å; L359-E361 VanDerWaalsContact C-N 3.27Å; L359-E361 PolarHBondContact O-N 2.98Å; L359-K362 PolarHBondContact O-N 3.36Å; L359-R363 HydrophobicContact CD1-CG 3.92Å; L359-R363 WeakPolarHBondContact O-CB 3.25Å; L359-R363 PolarHBondContact O-N 3.44Å; L359-R363 VanDerWaalsContact O-N 3.12Å; L359-V366 HydrophobicContact CD2-CG1 4.07Å; L359-V366 HydrophobicContact CD2-CG2 4.27Å; L359-V366 HydrophobicContact CG-CG1 4.16Å; L359-V366 HydrophobicContact CG-CG2 4.2Å
360	S	97.8	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-30.2	179.3	52.1	0	0	0	0	113.2	Y45 P356 K357 K362	Y45-S360 VanDerWaalsContact CB-OG 3.26Å; Y45-S360 WeakPolarHBondContact CB-OG 3.45Å; Y45-S360 VanDerWaalsContact O-CB 3.22Å; Y45-S360 WeakPolarHBondContact O-CB 3.5Å; Y45-S360 PolarHBondContact O-OG 3.02Å; P356-S360 PolarHBondContact O-N 3.35Å; P356-S360 PolarHBondContact O-OG 3.21Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.3Å; S360-K362 PolarHBondContact O-N 3.02Å
361	E	96.5	Very high	97.6	Very high	114 Å²	114	36.7 Å²	36.7	53%	0.533	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.4	172.8	-74.7	169.8	177.4	0	0	113.1	Q47 K357 L359	Q47-E361 PolarHBondContact NE2-O 3.06Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 3.3Å; L359-E361 VanDerWaalsContact C-N 3.27Å; L359-E361 PolarHBondContact O-N 2.98Å
362	K	97.1	Very high	97.7	Very high	149 Å²	149	37.3 Å²	37.3	65%	0.648	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-9.5	-174.4	-67.8	175.9	-171.9	175.5	0	113.8	S358 L359 S360	S358-K362 WeakPolarHBondContact O-CD 3Å; S358-K362 VanDerWaalsContact O-CG 3.27Å; S358-K362 WeakPolarHBondContact O-CG 3.44Å; L359-K362 PolarHBondContact O-N 3.36Å; S360-K362 PolarHBondContact O-N 3.02Å
363	R	97.4	Very high	97.7	Very high	81 Å²	81	37.4 Å²	37.4	31%	0.306	18%	0.183	S	C	.	.			trans	-137.9	121	-169.7	-64.3	-65.2	-175.4	157.6	3.2	111.4	H331 L359 N365 V366	H331-R363 PolarHBondContact O-NH2 3.4Å; L359-R363 HydrophobicContact CD1-CG 3.92Å; L359-R363 WeakPolarHBondContact O-CB 3.25Å; L359-R363 PolarHBondContact O-N 3.44Å; L359-R363 VanDerWaalsContact O-N 3.12Å; R363-N365 VanDerWaalsContact C-N 3.27Å; R363-N365 PolarHBondContact O-N 2.85Å; R363-V366 HydrophobicContact CB-CB 4.13Å; R363-V366 HydrophobicContact CB-CG2 3.69Å; R363-V366 HydrophobicContact CG-CG2 4.41Å; R363-V366 PolarHBondContact O-N 2.61Å
364	E	96.8	Very high	97.5	Very high	125 Å²	125	37.1 Å²	37.1	58%	0.584	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.6	180	-63.4	179.7	-174.9	0	0	114.2	Q47 V366	Q47-E364 HydrophobicContact CB-CG 4.15Å; E364-V366 VanDerWaalsContact C-N 3.33Å
365	N	97.7	Very high	97.4	Very high	30 Å²	30	34 Å²	34	16%	0.16	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.3	179	68.3	-63.1	0	0	0	113.4	I333 Y334 V335 P336 L337 R363	I333-N365 PolarHBondContact O-ND2 2.85Å; Y334-N365 PolarHBondContact O-ND2 3.1Å; V335-N365 PolarHBondContact O-ND2 3.2Å; P336-N365 CarbonylContact C-O 3.6Å; P336-N365 WeakPolarHBondContact CA-O 3.34Å; L337-N365 PolarHBondContact N-O 3.21Å; R363-N365 VanDerWaalsContact C-N 3.27Å; R363-N365 PolarHBondContact O-N 2.85Å
366	V	98.5	Very high	97.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128	-175.2	-175.7	0	0	0	0	110.7	L337 L339 L359 R363 E364	L337-V366 HydrophobicContact CB-CG2 4.25Å; L337-V366 HydrophobicContact CD2-CG1 4.34Å; L337-V366 HydrophobicContact CD2-CG2 4.2Å; L337-V366 WeakPolarHBondContact O-CA 3.37Å; L339-V366 HydrophobicContact CD1-CG1 3.97Å; L339-V366 HydrophobicContact CG-CG1 4.45Å; L359-V366 HydrophobicContact CD2-CG1 4.07Å; L359-V366 HydrophobicContact CD2-CG2 4.27Å; L359-V366 HydrophobicContact CG-CG1 4.16Å; L359-V366 HydrophobicContact CG-CG2 4.2Å; R363-V366 HydrophobicContact CB-CB 4.13Å; R363-V366 HydrophobicContact CB-CG2 3.69Å; R363-V366 HydrophobicContact CG-CG2 4.41Å; R363-V366 PolarHBondContact O-N 2.61Å; E364-V366 VanDerWaalsContact C-N 3.33Å
367	M	98.6	Very high	97.1	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127	172	-179	178	-72	0	0	109.6	F46 L55 L62 L337 M338 L339 V369	F46-M367 HydrophobicContact CB-CB 4.39Å; F46-M367 HydrophobicContact CB-CE 4.39Å; F46-M367 HydrophobicContact CB-CG 4.29Å; F46-M367 HydrophobicContact CD1-CE 4.33Å; F46-M367 HydrophobicContact CG-CE 4.23Å; L55-M367 HydrophobicContact CB-CE 4.23Å; L55-M367 HydrophobicContact CD1-CE 3.99Å; L62-M367 HydrophobicContact CD1-CE 4.43Å; L62-M367 HydrophobicContact CD1-SD 3.81Å; L62-M367 HydrophobicContact CD2-SD 4.05Å; L337-M367 PolarHBondContact O-N 2.75Å; M338-M367 CarbonylContact C-O 3.5Å; M338-M367 WeakPolarHBondContact CA-O 3.28Å; L339-M367 PolarHBondContact N-O 2.99Å; M367-V369 HydrophobicContact CG-CG2 4.11Å; M367-V369 HydrophobicContact SD-CG2 4.31Å
368	F	98.7	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.9	172.2	175.5	-128.2	0	0	0	110.3	L44 Y45 L339 N341 L353 P356 K357 L370	L44-F368 WeakPolarHBondContact CA-O 3.32Å; Y45-F368 AromaticContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CD1 3.43Å; Y45-F368 VanDerWaalsContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CE1 4.01Å; Y45-F368 HydrophobicContact CD2-CG 4.33Å; Y45-F368 AromaticContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CE1 4.09Å; Y45-F368 HydrophobicContact CG-CD1 4.1Å; Y45-F368 PolarHBondContact N-O 3.41Å; Y45-F368 PolarHBondContact O-N 2.87Å; L339-F368 HydrophobicContact CB-CB 4.45Å; L339-F368 HydrophobicContact CB-CD2 3.85Å; L339-F368 CarbonylContact O-C 3.5Å; L339-F368 WeakPolarHBondContact O-CA 3.22Å; L339-F368 VanDerWaalsContact O-CD2 3.28Å; L339-F368 WeakPolarHBondContact O-CD2 3.44Å; N341-F368 HydrophobicContact CB-CE2 3.98Å; N341-F368 HydrophobicContact CB-CZ 4.24Å; L353-F368 HydrophobicContact CD2-CZ 4.25Å; P356-F368 HydrophobicContact CB-CB 4.21Å; P356-F368 HydrophobicContact CB-CD1 4.14Å; P356-F368 HydrophobicContact CB-CD2 3.62Å; P356-F368 HydrophobicContact CB-CE1 4.45Å; P356-F368 HydrophobicContact CB-CE2 3.98Å; P356-F368 HydrophobicContact CB-CG 3.73Å; P356-F368 HydrophobicContact CB-CZ 4.38Å; P356-F368 HydrophobicContact CG-CD1 4.18Å; P356-F368 HydrophobicContact CG-CD2 3.92Å; P356-F368 HydrophobicContact CG-CE1 4.01Å; P356-F368 HydrophobicContact CG-CE2 3.74Å; P356-F368 HydrophobicContact CG-CG 4.16Å; P356-F368 HydrophobicContact CG-CZ 3.78Å; K357-F368 HydrophobicContact CD-CE1 4.41Å; K357-F368 HydrophobicContact CG-CD1 3.65Å; K357-F368 HydrophobicContact CG-CE1 3.61Å; F368-L370 HydrophobicContact CE1-CB 4.01Å; F368-L370 HydrophobicContact CE1-CD2 4.04Å; F368-L370 HydrophobicContact CE1-CG 4.45Å; F368-L370 HydrophobicContact CZ-CB 3.97Å; F368-L370 HydrophobicContact CZ-CD1 3.98Å; F368-L370 HydrophobicContact CZ-CD2 4.23Å; F368-L370 HydrophobicContact CZ-CG 4.29Å
369	V	98.7	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.7	-175.9	-173.8	0	0	0	0	108.4	P42 L44 L62 M338 L339 V340 N341 M367 W392 L396	P42-V369 HydrophobicContact CB-CG1 3.66Å; P42-V369 HydrophobicContact CG-CG1 3.95Å; L44-V369 HydrophobicContact CD2-CB 4.18Å; L44-V369 HydrophobicContact CD2-CG1 3.87Å; L44-V369 HydrophobicContact CD2-CG2 3.9Å; L62-V369 HydrophobicContact CD2-CG1 4.29Å; L62-V369 HydrophobicContact CD2-CG2 3.69Å; M338-V369 HydrophobicContact CG-CG2 3.9Å; M338-V369 HydrophobicContact SD-CG2 3.92Å; L339-V369 PolarHBondContact O-N 3.09Å; V340-V369 WeakPolarHBondContact CA-O 3.4Å; V340-V369 HydrophobicContact CG1-CB 4.5Å; V340-V369 HydrophobicContact CG2-CB 4.26Å; N341-V369 PolarHBondContact N-O 2.73Å; N341-V369 VanDerWaalsContact N-O 3.16Å; M367-V369 HydrophobicContact CG-CG2 4.11Å; M367-V369 HydrophobicContact SD-CG2 4.31Å; V369-W392 HydrophobicContact CG1-CH2 3.95Å; V369-L396 HydrophobicContact CG1-CD2 4.35Å
370	L	98.3	Very high	96.4	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	84.1	-173.8	-176.1	61.3	0	0	0	111.1	D43 Y45 N341 A343 L353 F368	D43-L370 HydrophobicContact CB-CB 4.27Å; D43-L370 PolarHBondContact N-O 3.43Å; D43-L370 PolarHBondContact O-N 3.34Å; Y45-L370 HydrophobicContact CE2-CB 4.35Å; Y45-L370 HydrophobicContact CE2-CD2 4.19Å; N341-L370 HydrophobicContact CB-CD1 4.26Å; N341-L370 WeakPolarHBondContact O-CA 3.42Å; N341-L370 VanDerWaalsContact O-CD1 3.24Å; N341-L370 WeakPolarHBondContact O-CD1 3.25Å; A343-L370 HydrophobicContact CB-CD1 4.08Å; A343-L370 HydrophobicContact CB-CG 4.29Å; L353-L370 HydrophobicContact CD1-CD1 4.08Å; L353-L370 HydrophobicContact CD1-CD2 4.41Å; F368-L370 HydrophobicContact CE1-CB 4.01Å; F368-L370 HydrophobicContact CE1-CD2 4.04Å; F368-L370 HydrophobicContact CE1-CG 4.45Å; F368-L370 HydrophobicContact CZ-CB 3.97Å; F368-L370 HydrophobicContact CZ-CD1 3.98Å; F368-L370 HydrophobicContact CZ-CD2 4.23Å; F368-L370 HydrophobicContact CZ-CG 4.29Å
371	P	97.8	Very high	96	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.137	C	C	.	.			trans	-61.3	146.3	166.8	-18.9	32	0	0	0	111.3	P42 Y66 N341 A342 A343 H373 F379 W392	P42-P371 HydrophobicContact CB-CB 4.35Å; P42-P371 HydrophobicContact CB-CG 3.93Å; Y66-P371 HydrophobicContact CD1-CB 4.36Å; N341-P371 WeakPolarHBondContact O-CD 3.49Å; A342-P371 WeakPolarHBondContact CA-O 3.5Å; A343-P371 PolarHBondContact N-O 3.1Å; P371-H373 WeakPolarHBondContact CB-O 3.38Å; P371-H373 PolarHBondContact O-N 3.01Å; P371-F379 HydrophobicContact CG-CE1 4.04Å; P371-W392 HydrophobicContact CG-CE3 4.33Å; P371-W392 HydrophobicContact CG-CH2 3.35Å; P371-W392 HydrophobicContact CG-CZ2 4.16Å; P371-W392 HydrophobicContact CG-CZ3 3.48Å; P371-W392 VanDerWaalsContact CG-CZ3 3.48Å
372	L	96.1	Very high	95.3	Very high	62 Å²	62	25.6 Å²	25.6	33%	0.325	12%	0.124	S	C	.	.	S	Bend	trans	-62.9	-33	175.3	-176.7	60.5	0	0	0	112.4	P38 A343 D344	P38-L372 HydrophobicContact CG-CD2 4.06Å; P38-L372 WeakPolarHBondContact O-CD2 3.36Å; A343-L372 HydrophobicContact CB-CD1 4.35Å; D344-L372 PolarHBondContact N-O 3.38Å
373	H	95.4	Very high	94.4	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.014	11%	0.114	C	C	.	.			trans	-125.3	152	-174.7	-57.2	-62.4	0	0	0	111.2	S37 P38 Y66 P68 K74 D344 P371	S37-H373 PolarHBondContact OG-CE1 3.35Å; S37-H373 PolarHBondContact OG-NE2 2.99Å; P38-H373 PolarHBondContact O-NE2 2.78Å; Y66-H373 HydrophobicContact CD1-CB 4.23Å; Y66-H373 HydrophobicContact CE1-CB 3.76Å; Y66-H373 WeakPolarHBondContact CE1-O 3.37Å; P68-H373 HydrophobicContact CG-CB 4.25Å; K74-H373 PolarHBondContact O-ND1 2.81Å; D344-H373 WeakPolarHBondContact OD1-CA 3.32Å; D344-H373 IonicContact OD2-ND1 3.02Å; P371-H373 WeakPolarHBondContact CB-O 3.38Å; P371-H373 PolarHBondContact O-N 3.01Å
374	G	94.6	Very high	93.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.			trans	158.7	-20.4	172.5	0	0	0	0	0	113.6	D344 G378 F379	D344-G374 PolarHBondContact OD1-N 2.8Å; D344-G374 PolarHBondContact OD2-N 2.76Å; G374-G378 CarbonylContact O-C 3.58Å; G374-G378 WeakPolarHBondContact O-CA 3.45Å; G374-G378 PolarHBondContact O-N 3.08Å; G374-F379 PolarHBondContact O-N 3.37Å
375	G	94.2	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-157.7	-171.3	0	0	0	0	0	111.9	D344 L377	D344-G375 PolarHBondContact OD1-N 3.21Å; G375-L377 PolarHBondContact O-N 3.18Å
376	H	95.2	Very high	91.9	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.06	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	107.2	176	-161.9	75.9	0	0	0	110.8	T80 S207 C234 D345 L347 G378	T80-H376 HydrophobicContact CG2-CB 3.81Å; T80-H376 PolarHBondContact OG1-N 3.38Å; S207-H376 WeakPolarHBondContact CB-NE2 3.39Å; S207-H376 PolarHBondContact OG-CE1 3.17Å; S207-H376 PolarHBondContact OG-NE2 3.36Å; C234-H376 PolarHBondContact O-CE1 3.44Å; D345-H376 WeakPolarHBondContact OD1-CB 3.46Å; D345-H376 IonicContact OD1-CG 3.79Å; D345-H376 IonicContact OD1-ND1 3.83Å; D345-H376 PolarHBondContact OD1-ND1 2.87Å; D345-H376 IonicContact OD2-CE1 3.55Å; D345-H376 IonicContact OD2-CG 2.65Å; D345-H376 IonicContact OD2-ND1 2.68Å; D345-H376 PolarHBondContact OD2-ND1 2.85Å; L347-H376 HydrophobicContact CD1-CB 4.08Å; L347-H376 HydrophobicContact CG-CB 4.16Å; H376-G378 PolarHBondContact O-N 3.36Å
377	L	94.6	Very high	91.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	10.6	-178.6	-57.9	177.1	0	0	0	115.4	Y83 R88 F206 V233 C234 G375 M393	Y83-L377 HydrophobicContact CD1-CB 4.21Å; Y83-L377 HydrophobicContact CD2-CB 4.19Å; Y83-L377 HydrophobicContact CE1-CB 3.92Å; Y83-L377 HydrophobicContact CE1-CD1 4.08Å; Y83-L377 HydrophobicContact CE2-CB 3.86Å; Y83-L377 HydrophobicContact CE2-CD1 4.48Å; Y83-L377 HydrophobicContact CG-CB 4.35Å; Y83-L377 VanDerWaalsContact OH-CD1 3.31Å; Y83-L377 WeakPolarHBondContact OH-CD1 3.43Å; R88-L377 PolarHBondContact NH1-O 3.33Å; R88-L377 VanDerWaalsContact NH1-O 3.14Å; R88-L377 PolarHBondContact NH2-O 3.01Å; F206-L377 HydrophobicContact CB-CD1 4.4Å; F206-L377 HydrophobicContact CB-CD2 4.16Å; F206-L377 HydrophobicContact CD1-CD2 4.03Å; V233-L377 HydrophobicContact CG1-CD2 4.21Å; C234-L377 HydrophobicContact CB-CD2 3.81Å; C234-L377 HydrophobicContact CB-CG 4.17Å; C234-L377 PolarHBondContact SG-N 3.45Å; G375-L377 PolarHBondContact O-N 3.18Å; L377-M393 HydrophobicContact CD2-SD 3.97Å
378	G	92.7	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-72.9	179.1	0	0	0	0	0	111.3	Q79 R88 G374 H376 F380	Q79-G378 VanDerWaalsContact OE1-C 3.24Å; R88-G378 PolarHBondContact NH1-O 2.97Å; G374-G378 CarbonylContact O-C 3.58Å; G374-G378 WeakPolarHBondContact O-CA 3.45Å; G374-G378 PolarHBondContact O-N 3.08Å; H376-G378 PolarHBondContact O-N 3.36Å; G378-F380 PolarHBondContact O-N 2.95Å
379	F	94.6	Very high	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.			trans	43.3	27.4	179.7	-62.2	-78.2	0	0	0	115	Y66 Q79 V233 C234 V340 A342 P371 G374 E381 T391 W392 M393	Y66-F379 VanDerWaalsContact OH-CA 3.28Å; Y66-F379 WeakPolarHBondContact OH-CA 3.44Å; Q79-F379 VanDerWaalsContact OE1-N 3.1Å; V233-F379 HydrophobicContact CG1-CE2 3.91Å; V233-F379 HydrophobicContact CG1-CZ 4.48Å; C234-F379 VanDerWaalsContact SG-CE2 3.55Å; V340-F379 HydrophobicContact CG1-CZ 4.3Å; A342-F379 HydrophobicContact CB-CE1 4.04Å; A342-F379 HydrophobicContact CB-CZ 4Å; P371-F379 HydrophobicContact CG-CE1 4.04Å; G374-F379 PolarHBondContact O-N 3.37Å; F379-E381 PolarHBondContact O-N 3.16Å; F379-T391 VanDerWaalsContact O-CB 3.25Å; F379-T391 WeakPolarHBondContact O-CB 3.23Å; F379-W392 HydrophobicContact CB-CB 4.4Å; F379-W392 AromaticContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CZ3 4.06Å; F379-W392 HydrophobicContact CE1-CE3 4.17Å; F379-W392 HydrophobicContact CE1-CZ3 4.06Å; F379-W392 HydrophobicContact CG-CE3 4.33Å; F379-W392 PolarHBondContact O-N 3.45Å; F379-M393 HydrophobicContact CB-CB 3.74Å; F379-M393 HydrophobicContact CD2-CB 3.63Å; F379-M393 HydrophobicContact CD2-CG 4.15Å; F379-M393 HydrophobicContact CD2-SD 3.89Å; F379-M393 HydrophobicContact CE2-CB 4.37Å; F379-M393 HydrophobicContact CE2-SD 4.19Å; F379-M393 HydrophobicContact CG-CB 3.75Å
380	F	93.5	Very high	89.9	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.013	19%	0.193	C	C	.	.			trans	-62.8	134	-176.8	-69.2	-70.3	0	0	0	110.1	Y66 P68 P69 W72 L82 G87 G378 P387 T391	Y66-F380 PolarHBondContact OH-N 3.25Å; Y66-F380 PolarHBondContact OH-O 2.82Å; P68-F380 WeakPolarHBondContact CA-O 3.25Å; P69-F380 WeakPolarHBondContact CD-O 3.44Å; P69-F380 HydrophobicContact CG-CB 4.41Å; W72-F380 HydrophobicContact CH2-CB 3.94Å; W72-F380 HydrophobicContact CH2-CD2 4.04Å; W72-F380 HydrophobicContact CH2-CG 4.07Å; W72-F380 HydrophobicContact CZ3-CB 4.31Å; W72-F380 HydrophobicContact CZ3-CD2 4.01Å; W72-F380 HydrophobicContact CZ3-CG 4.43Å; L82-F380 HydrophobicContact CB-CE2 4.18Å; L82-F380 HydrophobicContact CD2-CD2 4.28Å; L82-F380 HydrophobicContact CD2-CE2 4.07Å; L82-F380 HydrophobicContact CD2-CZ 4.45Å; L82-F380 HydrophobicContact CG-CE2 4.27Å; L82-F380 HydrophobicContact CG-CZ 4.5Å; G87-F380 WeakPolarHBondContact O-CZ 3.46Å; G378-F380 PolarHBondContact O-N 2.95Å; F380-P387 HydrophobicContact CB-CB 4.01Å; F380-P387 HydrophobicContact CD1-CB 3.84Å; F380-P387 HydrophobicContact CD1-CG 4.37Å; F380-P387 HydrophobicContact CG-CB 4.15Å; F380-T391 HydrophobicContact CD1-CG2 3.91Å; F380-T391 HydrophobicContact CE1-CG2 4.33Å
381	E	90	Very high	89.7	Confident	29 Å²	29	35.2 Å²	35.2	14%	0.136	19%	0.192	C	C	.	.			trans	-107.9	165.5	167.6	-69.4	170.3	117.5	0	0	109.5	Y66 F379 P387 E388 W392 K395	Y66-E381 HydrophobicContact CD2-CG 4.17Å; Y66-E381 HydrophobicContact CE2-CG 3.75Å; F379-E381 PolarHBondContact O-N 3.16Å; E381-P387 CarbonylContact O-C 3.46Å; E381-P387 WeakPolarHBondContact O-CA 3.37Å; E381-E388 PolarHBondContact O-N 2.97Å; E381-W392 HydrophobicContact CG-CB 3.79Å; E381-W392 WeakPolarHBondContact OE2-CA 3.42Å; E381-W392 PolarHBondContact OE2-N 3.47Å; E381-W392 VanDerWaalsContact OE2-N 3.1Å; E381-K395 IonicContact OE1-NZ 2.83Å; E381-K395 PolarHBondContact OE1-NZ 3.04Å; E381-K395 WeakPolarHBondContact OE2-CE 3.3Å; E381-K395 IonicContact OE2-NZ 2.61Å; E381-K395 PolarHBondContact OE2-NZ 2.93Å
382	G	80.4	Confident	89.7	Confident	24 Å²	24	35.2 Å²	35.2	25%	0.247	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	146.7	-166.7	167.3	0	0	0	0	0	112.9
383	S	77.8	Confident	89.7	Confident	63 Å²	63	32.3 Å²	32.3	44%	0.441	18%	0.176	S	C	.	.	S	Bend	trans	-72.4	-170.1	-179.9	69.1	0	0	0	0	112.3	P69 L385 F386	P69-S383 WeakPolarHBondContact CA-O 3.29Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 VanDerWaalsContact O-N 3.13Å; S383-F386 PolarHBondContact N-O 3.19Å; S383-F386 PolarHBondContact OG-O 3.4Å
384	V	78.4	Confident	89.7	Confident	74 Å²	74	32.1 Å²	32.1	45%	0.448	18%	0.176	S	C	.	.	S	Bend	trans	-50	-41.8	-174.4	-171	0	0	0	0	113.7	L70 I71	L70-V384 HydrophobicContact CB-CG1 4.42Å; L70-V384 HydrophobicContact CD1-CG2 4.15Å; I71-V384 HydrophobicContact CD1-CG1 3.62Å; I71-V384 HydrophobicContact CG1-CG1 3.87Å; I71-V384 PolarHBondContact N-O 3.2Å
385	L	79.2	Confident	89.9	Confident	88 Å²	88	34.7 Å²	34.7	46%	0.461	19%	0.187	S	C	.	.	S	Bend	trans	-124.7	-39.1	-172.8	-77.4	171.4	0	0	0	114.4	I71 W72 S383	I71-L385 HydrophobicContact CB-CD2 4.23Å; I71-L385 HydrophobicContact CD1-CD2 3.53Å; I71-L385 HydrophobicContact CD1-CG 3.93Å; I71-L385 HydrophobicContact CG1-CD2 4.39Å; I71-L385 HydrophobicContact CG2-CD2 4.33Å; W72-L385 PolarHBondContact NE1-O 2.79Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 VanDerWaalsContact O-N 3.13Å
386	F	82.3	Confident	90.1	Very high	157 Å²	157	34.7 Å²	34.7	69%	0.689	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-100.5	125.4	-171	-60.7	-69.6	0	0	0	110.7	S383	S383-F386 PolarHBondContact N-O 3.19Å; S383-F386 PolarHBondContact OG-O 3.4Å
387	P	85	Confident	90.2	Very high	25 Å²	25	34.1 Å²	34.1	16%	0.162	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-77.8	149.5	175.8	26	-21	0	0	0	111.2	P69 W72 V89 F380 E381	P69-P387 HydrophobicContact CG-CB 4.41Å; W72-P387 HydrophobicContact CH2-CB 4.05Å; W72-P387 HydrophobicContact CH2-CG 3.96Å; W72-P387 HydrophobicContact CZ2-CB 4.12Å; W72-P387 HydrophobicContact CZ2-CG 3.83Å; V89-P387 HydrophobicContact CG2-CB 4.29Å; V89-P387 HydrophobicContact CG2-CG 3.74Å; F380-P387 HydrophobicContact CB-CB 4.01Å; F380-P387 HydrophobicContact CD1-CB 3.84Å; F380-P387 HydrophobicContact CD1-CG 4.37Å; F380-P387 HydrophobicContact CG-CB 4.15Å; E381-P387 CarbonylContact O-C 3.46Å; E381-P387 WeakPolarHBondContact O-CA 3.37Å
388	E	88.7	Confident	90.4	Very high	104 Å²	104	34.1 Å²	34.1	49%	0.486	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-70	154.9	170.2	-65.9	-58.8	150.3	0	0	110.9	E381 L390	E381-E388 PolarHBondContact O-N 2.97Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.99Å
389	P	87.8	Confident	90.7	Very high	39 Å²	39	36.4 Å²	36.4	25%	0.253	20%	0.195	S	C	.	.	S	Bend	trans	-61.5	-40.3	176.3	-25.1	35.5	0	0	0	113.4	V89 R90 T145	V89-P389 WeakPolarHBondContact O-CA 3.16Å; V89-P389 WeakPolarHBondContact O-CB 3.41Å; R90-P389 HydrophobicContact CB-CG 4.3Å; T145-P389 WeakPolarHBondContact CG2-O 3.45Å
390	L	92.3	Very high	90.9	Very high	52 Å²	52	36.5 Å²	36.5	27%	0.272	20%	0.195	S	C	.	.	S	Bend	trans	-88.8	141.2	175.5	-71.6	170.7	0	0	0	110.2	T145 Y149 E388 D394	T145-L390 HydrophobicContact CG2-CD2 3.81Å; Y149-L390 HydrophobicContact CD1-CD2 4.4Å; Y149-L390 HydrophobicContact CD2-CD1 3.46Å; Y149-L390 VanDerWaalsContact CD2-CD1 3.46Å; Y149-L390 HydrophobicContact CD2-CD2 3.81Å; Y149-L390 HydrophobicContact CD2-CG 4.31Å; Y149-L390 HydrophobicContact CE2-CD1 3.64Å; Y149-L390 HydrophobicContact CG-CD1 4.2Å; Y149-L390 HydrophobicContact CG-CD2 3.7Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.99Å; L390-D394 HydrophobicContact CD2-CB 4.34Å
391	T	94.3	Very high	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.			trans	-102.7	165	177.4	64.7	0	0	0	0	112.5	R88 F379 F380 M393 D394 K395	R88-T391 VanDerWaalsContact NH1-CG2 3.31Å; R88-T391 PolarHBondContact NH2-OG1 3.44Å; R88-T391 VanDerWaalsContact NH2-OG1 3.12Å; F379-T391 VanDerWaalsContact O-CB 3.25Å; F379-T391 WeakPolarHBondContact O-CB 3.23Å; F380-T391 HydrophobicContact CD1-CG2 3.91Å; F380-T391 HydrophobicContact CE1-CG2 4.33Å; T391-M393 PolarHBondContact O-N 3.18Å; T391-D394 WeakPolarHBondContact CB-OD2 3.47Å; T391-D394 PolarHBondContact N-OD2 2.67Å; T391-D394 PolarHBondContact O-N 3.06Å; T391-D394 VanDerWaalsContact O-N 3.17Å; T391-D394 PolarHBondContact OG1-N 2.9Å; T391-D394 PolarHBondContact OG1-OD1 3.22Å; T391-D394 PolarHBondContact OG1-OD2 3.4Å; T391-K395 PolarHBondContact O-N 3.29Å
392	W	96.1	Very high	91.5	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-39.8	176.6	178.1	88.6	0	0	0	111.2	P42 Y66 V340 V369 P371 F379 E381 K395 L396	P42-W392 HydrophobicContact CG-CZ2 4.21Å; Y66-W392 HydrophobicContact CD2-CB 3.58Å; Y66-W392 AromaticContact CD2-CD1 3.63Å; Y66-W392 HydrophobicContact CD2-CD2 4.18Å; Y66-W392 AromaticContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CE2-CB 3.53Å; Y66-W392 AromaticContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CG-CG 4.27Å; V340-W392 HydrophobicContact CG1-CZ3 4.14Å; V369-W392 HydrophobicContact CG1-CH2 3.95Å; P371-W392 HydrophobicContact CG-CE3 4.33Å; P371-W392 HydrophobicContact CG-CH2 3.35Å; P371-W392 HydrophobicContact CG-CZ2 4.16Å; P371-W392 HydrophobicContact CG-CZ3 3.48Å; P371-W392 VanDerWaalsContact CG-CZ3 3.48Å; F379-W392 HydrophobicContact CB-CB 4.4Å; F379-W392 AromaticContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CZ3 4.06Å; F379-W392 HydrophobicContact CE1-CE3 4.17Å; F379-W392 HydrophobicContact CE1-CZ3 4.06Å; F379-W392 HydrophobicContact CG-CE3 4.33Å; F379-W392 PolarHBondContact O-N 3.45Å; E381-W392 HydrophobicContact CG-CB 3.79Å; E381-W392 WeakPolarHBondContact OE2-CA 3.42Å; E381-W392 PolarHBondContact OE2-N 3.47Å; E381-W392 VanDerWaalsContact OE2-N 3.1Å; W392-K395 PolarHBondContact O-N 2.87Å; W392-L396 HydrophobicContact CE3-CB 4.5Å; W392-L396 HydrophobicContact CE3-CD2 4.37Å; W392-L396 HydrophobicContact CH2-CD2 3.34Å; W392-L396 HydrophobicContact CH2-CG 4.36Å; W392-L396 HydrophobicContact CZ2-CD2 3.97Å; W392-L396 HydrophobicContact CZ3-CB 4.47Å; W392-L396 HydrophobicContact CZ3-CD2 3.55Å; W392-L396 WeakPolarHBondContact O-CB 3.44Å; W392-L396 PolarHBondContact O-N 3.26Å
393	M	95.9	Very high	92.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-46	176.6	175.4	-167.8	78.9	0	0	112.4	R88 F206 V233 L377 F379 T391 K395 L396 V397	R88-M393 VanDerWaalsContact NH2-CE 3.3Å; F206-M393 HydrophobicContact CD1-CE 4.03Å; F206-M393 HydrophobicContact CD1-SD 4.01Å; F206-M393 HydrophobicContact CE1-CE 3.58Å; F206-M393 HydrophobicContact CE1-SD 3.84Å; F206-M393 HydrophobicContact CZ-CE 4.47Å; V233-M393 HydrophobicContact CB-CG 4.48Å; V233-M393 HydrophobicContact CB-SD 4.06Å; V233-M393 HydrophobicContact CG1-CG 3.83Å; V233-M393 HydrophobicContact CG1-SD 3.41Å; V233-M393 WeakPolarHBondContact CG1-SD 3.13Å; V233-M393 HydrophobicContact CG2-CG 4.16Å; V233-M393 HydrophobicContact CG2-SD 4.3Å; L377-M393 HydrophobicContact CD2-SD 3.97Å; F379-M393 HydrophobicContact CB-CB 3.74Å; F379-M393 HydrophobicContact CD2-CB 3.63Å; F379-M393 HydrophobicContact CD2-CG 4.15Å; F379-M393 HydrophobicContact CD2-SD 3.89Å; F379-M393 HydrophobicContact CE2-CB 4.37Å; F379-M393 HydrophobicContact CE2-SD 4.19Å; F379-M393 HydrophobicContact CG-CB 3.75Å; T391-M393 PolarHBondContact O-N 3.18Å; M393-K395 VanDerWaalsContact C-N 3.27Å; M393-K395 PolarHBondContact O-N 3.12Å; M393-L396 PolarHBondContact O-N 3.27Å; M393-V397 HydrophobicContact CG-CG2 4.36Å; M393-V397 WeakPolarHBondContact O-CG2 3.08Å; M393-V397 PolarHBondContact O-N 3.3Å
394	D	96.5	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-41.6	-178	-55.6	-42.9	0	0	0	110.4	R88 F146 L390 T391	R88-D394 IonicContact NE-OD2 2.73Å; R88-D394 IonicContact NH2-OD1 2.76Å; F146-D394 HydrophobicContact CD2-CB 4.2Å; L390-D394 HydrophobicContact CD2-CB 4.34Å; T391-D394 WeakPolarHBondContact CB-OD2 3.47Å; T391-D394 PolarHBondContact N-OD2 2.67Å; T391-D394 PolarHBondContact O-N 3.06Å; T391-D394 VanDerWaalsContact O-N 3.17Å; T391-D394 PolarHBondContact OG1-N 2.9Å; T391-D394 PolarHBondContact OG1-OD1 3.22Å; T391-D394 PolarHBondContact OG1-OD2 3.4Å
395	K	97.6	Very high	94.2	Very high	53 Å²	53	28.8 Å²	28.8	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-46.4	176.2	-64.6	-177.6	-65	177.3	0	112.5	L61 Y149 E381 T391 W392 M393 V397 V398 E399	L61-K395 HydrophobicContact CD1-CB 3.58Å; Y149-K395 HydrophobicContact CE1-CG 4.24Å; E381-K395 IonicContact OE1-NZ 2.83Å; E381-K395 PolarHBondContact OE1-NZ 3.04Å; E381-K395 WeakPolarHBondContact OE2-CE 3.3Å; E381-K395 IonicContact OE2-NZ 2.61Å; E381-K395 PolarHBondContact OE2-NZ 2.93Å; T391-K395 PolarHBondContact O-N 3.29Å; W392-K395 PolarHBondContact O-N 2.87Å; M393-K395 VanDerWaalsContact C-N 3.27Å; M393-K395 PolarHBondContact O-N 3.12Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-V397 PolarHBondContact O-N 2.8Å; K395-V398 PolarHBondContact O-N 2.83Å; K395-E399 VanDerWaalsContact O-CB 3.26Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 PolarHBondContact O-N 3.39Å
396	L	98.4	Very high	95.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-47.1	-179.9	174.8	68.6	0	0	0	111.3	L61 L62 M338 V340 V369 W392 M393 V398 E399 Y400	L61-L396 HydrophobicContact CB-CD1 3.94Å; L61-L396 HydrophobicContact CD1-CB 4.3Å; L62-L396 HydrophobicContact CD2-CD1 3.85Å; L62-L396 HydrophobicContact CG-CD1 4.29Å; M338-L396 HydrophobicContact CE-CD2 4.15Å; M338-L396 HydrophobicContact CE-CG 3.97Å; M338-L396 HydrophobicContact SD-CD1 4.46Å; M338-L396 HydrophobicContact SD-CD2 4.29Å; M338-L396 HydrophobicContact SD-CG 4.39Å; V340-L396 HydrophobicContact CG1-CD2 4.3Å; V340-L396 HydrophobicContact CG2-CD2 4Å; V369-L396 HydrophobicContact CG1-CD2 4.35Å; W392-L396 HydrophobicContact CE3-CB 4.5Å; W392-L396 HydrophobicContact CE3-CD2 4.37Å; W392-L396 HydrophobicContact CH2-CD2 3.34Å; W392-L396 HydrophobicContact CH2-CG 4.36Å; W392-L396 HydrophobicContact CZ2-CD2 3.97Å; W392-L396 HydrophobicContact CZ3-CB 4.47Å; W392-L396 HydrophobicContact CZ3-CD2 3.55Å; W392-L396 WeakPolarHBondContact O-CB 3.44Å; W392-L396 PolarHBondContact O-N 3.26Å; M393-L396 PolarHBondContact O-N 3.27Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 2.89Å; L396-E399 PolarHBondContact O-N 3.05Å; L396-Y400 VanDerWaalsContact O-CB 3.25Å; L396-Y400 WeakPolarHBondContact O-CB 3.5Å; L396-Y400 PolarHBondContact O-N 3.37Å
397	V	98.6	Very high	95.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-45.3	-177.1	173.4	0	0	0	0	110.9	F146 V204 V231 V233 M393 K395 A401	F146-V397 HydrophobicContact CE2-CB 3.87Å; F146-V397 HydrophobicContact CE2-CG1 3.71Å; F146-V397 HydrophobicContact CZ-CB 4.25Å; F146-V397 HydrophobicContact CZ-CG1 3.56Å; V204-V397 HydrophobicContact CG1-CG1 4.05Å; V204-V397 HydrophobicContact CG2-CG1 4.02Å; V231-V397 HydrophobicContact CB-CG1 4.25Å; V231-V397 HydrophobicContact CG1-CB 4.43Å; V231-V397 HydrophobicContact CG1-CG1 4.22Å; V231-V397 HydrophobicContact CG1-CG2 3.81Å; V231-V397 HydrophobicContact CG2-CG1 4.36Å; V233-V397 HydrophobicContact CG2-CG2 4.05Å; M393-V397 HydrophobicContact CG-CG2 4.36Å; M393-V397 WeakPolarHBondContact O-CG2 3.08Å; M393-V397 PolarHBondContact O-N 3.3Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-V397 PolarHBondContact O-N 2.8Å; V397-A401 VanDerWaalsContact O-CB 3.29Å; V397-A401 WeakPolarHBondContact O-CB 3.3Å; V397-A401 PolarHBondContact O-N 3.14Å
398	V	98.5	Very high	96.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-70.9	-40.5	179	173	0	0	0	0	111.8	M128 F146 Y149 A150 N153 Y155 K395 L396 A401 N402	M128-V398 HydrophobicContact CE-CG2 4.22Å; F146-V398 HydrophobicContact CE2-CG2 4.01Å; Y149-V398 HydrophobicContact CD1-CB 4.15Å; Y149-V398 HydrophobicContact CD1-CG1 4.5Å; Y149-V398 HydrophobicContact CD1-CG2 3.66Å; Y149-V398 HydrophobicContact CE1-CB 3.77Å; Y149-V398 HydrophobicContact CE1-CG1 4.02Å; Y149-V398 HydrophobicContact CE1-CG2 3.83Å; A150-V398 HydrophobicContact CB-CG2 4.38Å; N153-V398 HydrophobicContact CB-CG1 3.74Å; Y155-V398 HydrophobicContact CE2-CG1 4.11Å; K395-V398 PolarHBondContact O-N 2.83Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 2.89Å; V398-A401 PolarHBondContact O-N 2.97Å; V398-N402 WeakPolarHBondContact O-CB 3.29Å; V398-N402 VanDerWaalsContact O-CG 3.27Å; V398-N402 PolarHBondContact O-N 3.36Å; V398-N402 PolarHBondContact O-ND2 2.88Å
399	E	98.1	Very high	96.3	Very high	49 Å²	49	23.7 Å²	23.7	23%	0.229	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-43.1	178.8	-167.9	178.8	114.2	0	0	111.7	C59 P60 L61 K395 L396 N402 A403	C59-E399 WeakPolarHBondContact CA-OE1 3.43Å; C59-E399 HydrophobicContact CB-CG 4.25Å; C59-E399 PolarHBondContact SG-OE1 3.08Å; P60-E399 WeakPolarHBondContact CD-OE1 3.33Å; L61-E399 WeakPolarHBondContact CD1-OE2 3.4Å; L61-E399 WeakPolarHBondContact CG-OE2 3.47Å; L61-E399 PolarHBondContact N-OE1 3.45Å; K395-E399 VanDerWaalsContact O-CB 3.26Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 PolarHBondContact O-N 3.39Å; L396-E399 PolarHBondContact O-N 3.05Å; E399-N402 PolarHBondContact O-N 2.84Å; E399-A403 WeakPolarHBondContact O-CB 3.36Å; E399-A403 PolarHBondContact O-N 2.51Å
400	Y	98.6	Very high	96.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-46.9	172.4	176.2	-92.1	0	0	0	111.6	L55 C229 V231 M338 L396 N402 A403 I404	L55-Y400 HydrophobicContact CD1-CE2 3.7Å; L55-Y400 HydrophobicContact CD2-CD2 3.84Å; L55-Y400 HydrophobicContact CD2-CE2 3.71Å; L55-Y400 HydrophobicContact CG-CE2 4.32Å; C229-Y400 HydrophobicContact CB-CE1 3.95Å; V231-Y400 HydrophobicContact CG2-CD1 3.57Å; V231-Y400 HydrophobicContact CG2-CE1 3.87Å; M338-Y400 HydrophobicContact CB-CD1 4.21Å; M338-Y400 HydrophobicContact CB-CD2 4.24Å; M338-Y400 HydrophobicContact CB-CE1 3.82Å; M338-Y400 HydrophobicContact CB-CE2 3.84Å; M338-Y400 HydrophobicContact CB-CG 4.42Å; M338-Y400 VanDerWaalsContact CE-CB 3.46Å; M338-Y400 HydrophobicContact CE-CD1 3.77Å; M338-Y400 HydrophobicContact CE-CD2 3.89Å; M338-Y400 HydrophobicContact CE-CE1 4.5Å; M338-Y400 HydrophobicContact CE-CG 3.42Å; M338-Y400 VanDerWaalsContact CE-CG 3.42Å; M338-Y400 HydrophobicContact CG-CD2 4.41Å; M338-Y400 HydrophobicContact CG-CE2 4.33Å; M338-Y400 HydrophobicContact SD-CD1 4.32Å; M338-Y400 HydrophobicContact SD-CD2 3.44Å; M338-Y400 WeakPolarHBondContact SD-CD2 3.47Å; M338-Y400 HydrophobicContact SD-CE2 3.92Å; M338-Y400 HydrophobicContact SD-CG 3.66Å; L396-Y400 VanDerWaalsContact O-CB 3.25Å; L396-Y400 WeakPolarHBondContact O-CB 3.5Å; L396-Y400 PolarHBondContact O-N 3.37Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 3.34Å; Y400-A403 PolarHBondContact O-N 2.96Å; Y400-I404 HydrophobicContact CD1-CG1 4.14Å; Y400-I404 HydrophobicContact CE1-CD1 4.31Å; Y400-I404 HydrophobicContact CE1-CG1 3.67Å; Y400-I404 HydrophobicContact CE2-CD1 4.4Å; Y400-I404 HydrophobicContact CE2-CG1 4.36Å; Y400-I404 WeakPolarHBondContact O-CG1 3.4Å; Y400-I404 PolarHBondContact O-N 3.25Å
401	A	98.6	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-45	178	0	0	0	0	0	111.6	M128 Y155 V202 V397 V398 A403 I404 C405	M128-A401 HydrophobicContact CE-CB 3.7Å; Y155-A401 VanDerWaalsContact OH-C 3.31Å; Y155-A401 WeakPolarHBondContact OH-CB 3.24Å; V202-A401 HydrophobicContact CG1-CB 3.95Å; V202-A401 HydrophobicContact CG2-CB 4.23Å; V397-A401 VanDerWaalsContact O-CB 3.29Å; V397-A401 WeakPolarHBondContact O-CB 3.3Å; V397-A401 PolarHBondContact O-N 3.14Å; V398-A401 PolarHBondContact O-N 2.97Å; A401-A403 VanDerWaalsContact C-N 3.34Å; A401-A403 PolarHBondContact O-N 3.01Å; A401-I404 PolarHBondContact O-N 3.23Å; A401-C405 PolarHBondContact O-N 3.48Å; A401-C405 PolarHBondContact O-SG 2.99Å
402	N	98.3	Very high	95.9	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-46.2	174.5	-78.1	-25.8	0	0	0	111.4	H120 Y155 V398 E399 Y400 I404 C405 Q406	H120-N402 PolarHBondContact NE2-OD1 3.47Å; Y155-N402 PolarHBondContact OH-N 3.32Å; Y155-N402 PolarHBondContact OH-OD1 3.48Å; V398-N402 WeakPolarHBondContact O-CB 3.29Å; V398-N402 VanDerWaalsContact O-CG 3.27Å; V398-N402 PolarHBondContact O-N 3.36Å; V398-N402 PolarHBondContact O-ND2 2.88Å; E399-N402 PolarHBondContact O-N 2.84Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 3.34Å; N402-I404 PolarHBondContact O-N 3.04Å; N402-C405 PolarHBondContact O-N 2.83Å; N402-Q406 WeakPolarHBondContact O-CG 3.41Å; N402-Q406 PolarHBondContact O-N 3.29Å
403	A	98.2	Very high	95.1	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-43.3	177.7	0	0	0	0	0	111.8	F54 L55 E399 Y400 A401 C405 Q406 W407	F54-A403 HydrophobicContact CE1-CB 4.31Å; F54-A403 VanDerWaalsContact CE1-O 3.25Å; F54-A403 WeakPolarHBondContact CE1-O 3.5Å; L55-A403 HydrophobicContact CD2-CB 3.96Å; E399-A403 WeakPolarHBondContact O-CB 3.36Å; E399-A403 PolarHBondContact O-N 2.51Å; Y400-A403 PolarHBondContact O-N 2.96Å; A401-A403 VanDerWaalsContact C-N 3.34Å; A401-A403 PolarHBondContact O-N 3.01Å; A403-C405 VanDerWaalsContact C-N 3.35Å; A403-C405 PolarHBondContact O-N 3.42Å; A403-Q406 PolarHBondContact O-N 3.39Å; A403-W407 WeakPolarHBondContact O-CB 3.45Å; A403-W407 PolarHBondContact O-N 3.11Å
404	I	98.3	Very high	94.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-43.4	174.9	-67.4	-64.9	0	0	0	111.5	L51 L55 L228 C229 P336 Y400 A401 N402 Q406 W407 E408	L51-I404 HydrophobicContact CD1-CD1 3.8Å; L55-I404 HydrophobicContact CD1-CD1 4.44Å; L55-I404 HydrophobicContact CD2-CD1 3.87Å; L55-I404 HydrophobicContact CD2-CG1 4.28Å; L228-I404 HydrophobicContact CB-CG2 4Å; L228-I404 WeakPolarHBondContact O-CG2 3.37Å; C229-I404 HydrophobicContact CB-CB 4.32Å; C229-I404 HydrophobicContact CB-CG1 3.95Å; C229-I404 HydrophobicContact CB-CG2 3.92Å; P336-I404 HydrophobicContact CB-CD1 3.71Å; P336-I404 HydrophobicContact CG-CD1 4.09Å; Y400-I404 HydrophobicContact CD1-CG1 4.14Å; Y400-I404 HydrophobicContact CE1-CD1 4.31Å; Y400-I404 HydrophobicContact CE1-CG1 3.67Å; Y400-I404 HydrophobicContact CE2-CD1 4.4Å; Y400-I404 HydrophobicContact CE2-CG1 4.36Å; Y400-I404 WeakPolarHBondContact O-CG1 3.4Å; Y400-I404 PolarHBondContact O-N 3.25Å; A401-I404 PolarHBondContact O-N 3.23Å; N402-I404 PolarHBondContact O-N 3.04Å; I404-Q406 VanDerWaalsContact C-N 3.3Å; I404-Q406 PolarHBondContact O-N 3.2Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; I404-E408 HydrophobicContact CG2-CG 4.46Å; I404-E408 PolarHBondContact O-N 3.33Å
405	C	97.6	Very high	92.9	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-41.9	179.3	-61.7	0	0	0	0	111.3	V122 I126 A401 N402 A403 R409	V122-C405 HydrophobicContact CG1-CB 4.26Å; V122-C405 HydrophobicContact CG2-CB 4.02Å; I126-C405 HydrophobicContact CD1-CB 4.11Å; I126-C405 VanDerWaalsContact CD1-SG 3.53Å; A401-C405 PolarHBondContact O-N 3.48Å; A401-C405 PolarHBondContact O-SG 2.99Å; N402-C405 PolarHBondContact O-N 2.83Å; A403-C405 VanDerWaalsContact C-N 3.35Å; A403-C405 PolarHBondContact O-N 3.42Å; C405-R409 WeakPolarHBondContact O-CB 3.49Å; C405-R409 PolarHBondContact O-N 3.12Å
406	Q	97.2	Very high	91.3	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-41.8	174.8	-69.7	171.6	2.6	0	0	112.2	F54 V122 N402 A403 I404 R409 N410	F54-Q406 HydrophobicContact CZ-CB 4.12Å; V122-Q406 HydrophobicContact CG1-CB 4.47Å; V122-Q406 HydrophobicContact CG1-CG 3.77Å; N402-Q406 WeakPolarHBondContact O-CG 3.41Å; N402-Q406 PolarHBondContact O-N 3.29Å; A403-Q406 PolarHBondContact O-N 3.39Å; I404-Q406 VanDerWaalsContact C-N 3.3Å; I404-Q406 PolarHBondContact O-N 3.2Å; Q406-R409 PolarHBondContact O-N 3.32Å; Q406-N410 WeakPolarHBondContact O-CB 3.41Å; Q406-N410 PolarHBondContact O-N 3.04Å; Q406-N410 PolarHBondContact O-ND2 3.48Å; Q406-N410 PolarHBondContact O-OD1 3.37Å
407	W	96.4	Very high	89.6	Confident	56 Å²	56	48.1 Å²	48.1	21%	0.212	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-49.6	177.2	172.4	-101	0	0	0	112.1	L51 F54 A403 I404 R409 N410 K411	L51-W407 HydrophobicContact CB-CZ2 4.28Å; L51-W407 HydrophobicContact CD1-CD2 4.15Å; L51-W407 HydrophobicContact CD1-CG 3.97Å; F54-W407 HydrophobicContact CB-CE3 3.63Å; F54-W407 HydrophobicContact CB-CZ3 3.76Å; F54-W407 HydrophobicContact CD1-CB 3.96Å; F54-W407 HydrophobicContact CD1-CD2 4.45Å; F54-W407 AromaticContact CD1-CE3 3.93Å; F54-W407 HydrophobicContact CD1-CE3 3.93Å; F54-W407 AromaticContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CZ3 4.17Å; F54-W407 HydrophobicContact CE1-CB 3.85Å; F54-W407 HydrophobicContact CE2-CE3 4.37Å; F54-W407 HydrophobicContact CG-CD2 4.38Å; F54-W407 AromaticContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CE3 3.46Å; F54-W407 VanDerWaalsContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CZ3 4.03Å; F54-W407 HydrophobicContact CZ-CB 4.38Å; A403-W407 WeakPolarHBondContact O-CB 3.45Å; A403-W407 PolarHBondContact O-N 3.11Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; W407-R409 VanDerWaalsContact C-N 3.35Å; W407-R409 PolarHBondContact O-N 3.3Å; W407-N410 PolarHBondContact O-N 3.42Å; W407-K411 HydrophobicContact CZ2-CD 4.1Å; W407-K411 WeakPolarHBondContact O-CG 3.5Å; W407-K411 PolarHBondContact O-N 3.09Å; W407-K411 VanDerWaalsContact O-N 3.12Å
408	E	94.5	Very high	87.7	Confident	53 Å²	53	54.4 Å²	54.4	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-37.8	178.8	-68.6	-57.4	138.3	0	0	111.8	L228 I404 N410 K411 L412	L228-E408 HydrophobicContact CD2-CB 4.22Å; L228-E408 HydrophobicContact CD2-CG 4Å; I404-E408 HydrophobicContact CG2-CG 4.46Å; I404-E408 PolarHBondContact O-N 3.33Å; E408-N410 VanDerWaalsContact C-N 3.35Å; E408-N410 PolarHBondContact O-N 3.38Å; E408-K411 PolarHBondContact O-N 3.08Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.99Å
409	R	91.2	Very high	85.2	Confident	88 Å²	88	60.1 Å²	60.1	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-43.2	174.4	-173.1	68	177.6	107.7	-3.9	112.3	C405 Q406 W407 K411 L412 Q413	C405-R409 WeakPolarHBondContact O-CB 3.49Å; C405-R409 PolarHBondContact O-N 3.12Å; Q406-R409 PolarHBondContact O-N 3.32Å; W407-R409 VanDerWaalsContact C-N 3.35Å; W407-R409 PolarHBondContact O-N 3.3Å; R409-K411 VanDerWaalsContact C-N 3.34Å; R409-L412 PolarHBondContact O-N 2.84Å; R409-Q413 WeakPolarHBondContact O-CG 3.47Å; R409-Q413 PolarHBondContact O-N 3.48Å
410	N	91.4	Very high	83.1	Confident	72 Å²	72	61.9 Å²	61.9	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-38.4	178.8	-68.5	-15.7	0	0	0	111.8	Q406 W407 E408 L412 Q413 C414	Q406-N410 WeakPolarHBondContact O-CB 3.41Å; Q406-N410 PolarHBondContact O-N 3.04Å; Q406-N410 PolarHBondContact O-ND2 3.48Å; Q406-N410 PolarHBondContact O-OD1 3.37Å; W407-N410 PolarHBondContact O-N 3.42Å; E408-N410 VanDerWaalsContact C-N 3.35Å; E408-N410 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact C-N 3.35Å; N410-L412 PolarHBondContact O-N 3.39Å; N410-Q413 PolarHBondContact O-N 3.21Å; N410-C414 PolarHBondContact O-N 3.3Å; N410-C414 VanDerWaalsContact O-N 3.08Å; N410-C414 PolarHBondContact O-SG 3.47Å
411	K	89	Confident	81.1	Confident	109 Å²	109	67.6 Å²	67.6	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-41.8	176.9	-72.5	178.1	71.9	-165.4	0	112.3	W407 E408 R409 C414 S415	W407-K411 HydrophobicContact CZ2-CD 4.1Å; W407-K411 WeakPolarHBondContact O-CG 3.5Å; W407-K411 PolarHBondContact O-N 3.09Å; W407-K411 VanDerWaalsContact O-N 3.12Å; E408-K411 PolarHBondContact O-N 3.08Å; R409-K411 VanDerWaalsContact C-N 3.34Å; K411-C414 PolarHBondContact O-N 3.32Å; K411-S415 PolarHBondContact O-N 3.45Å; K411-S415 VanDerWaalsContact O-N 3.13Å; K411-S415 PolarHBondContact O-OG 3.19Å
412	L	84.1	Confident	79.1	Confident	96 Å²	96	70.5 Å²	70.5	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-39.4	177.1	-67.3	170.4	0	0	0	112	E408 R409 N410 S415 D416	E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.99Å; R409-L412 PolarHBondContact O-N 2.84Å; N410-L412 VanDerWaalsContact C-N 3.35Å; N410-L412 PolarHBondContact O-N 3.39Å; L412-S415 WeakPolarHBondContact CA-OG 3.37Å; L412-S415 PolarHBondContact O-N 3.42Å; L412-S415 PolarHBondContact O-OG 3.39Å; L412-D416 PolarHBondContact O-N 3.13Å
413	Q	80.7	Confident	77.4	Confident	86 Å²	86	75.2 Å²	75.2	40%	0.402	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-37.6	177.4	-70.4	177	-7.9	0	0	112.8	R409 N410 D416 T417	R409-Q413 WeakPolarHBondContact O-CG 3.47Å; R409-Q413 PolarHBondContact O-N 3.48Å; N410-Q413 PolarHBondContact O-N 3.21Å; Q413-D416 PolarHBondContact O-N 3.5Å; Q413-T417 PolarHBondContact O-N 2.94Å; Q413-T417 PolarHBondContact O-OG1 3.48Å
414	C	75.4	Confident	75.9	Confident	77 Å²	77	81.8 Å²	81.8	52%	0.52	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-42.7	174.4	-69.7	0	0	0	0	111.8	N410 K411 D416 T417 E418	N410-C414 PolarHBondContact O-N 3.3Å; N410-C414 VanDerWaalsContact O-N 3.08Å; N410-C414 PolarHBondContact O-SG 3.47Å; K411-C414 PolarHBondContact O-N 3.32Å; C414-D416 PolarHBondContact O-N 3.49Å; C414-T417 PolarHBondContact O-N 2.98Å; C414-E418 WeakPolarHBondContact O-CG 3.31Å; C414-E418 PolarHBondContact O-N 3.3Å
415	S	69.6	Low	74	Confident	52 Å²	52	92.9 Å²	92.9	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-37.8	176.6	56.5	0	0	0	0	112.8	K411 L412 T417 E418 Q419	K411-S415 PolarHBondContact O-N 3.45Å; K411-S415 VanDerWaalsContact O-N 3.13Å; K411-S415 PolarHBondContact O-OG 3.19Å; L412-S415 WeakPolarHBondContact CA-OG 3.37Å; L412-S415 PolarHBondContact O-N 3.42Å; L412-S415 PolarHBondContact O-OG 3.39Å; S415-T417 VanDerWaalsContact C-N 3.3Å; S415-T417 PolarHBondContact O-N 3.47Å; S415-E418 PolarHBondContact O-N 2.77Å; S415-Q419 VanDerWaalsContact O-CB 3.31Å; S415-Q419 WeakPolarHBondContact O-CB 3.22Å; S415-Q419 PolarHBondContact O-N 3.06Å
416	D	65.6	Low	72.9	Confident	90 Å²	90	97.3 Å²	97.3	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-37	175.5	-68.5	-17.1	0	0	0	111.1	L412 Q413 C414 V420	L412-D416 PolarHBondContact O-N 3.13Å; Q413-D416 PolarHBondContact O-N 3.5Å; C414-D416 PolarHBondContact O-N 3.49Å; D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.41Å; D416-V420 PolarHBondContact O-N 3.42Å
417	T	61.2	Low	71.6	Confident	77 Å²	77	98.7 Å²	98.7	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-69.8	-45.2	178.1	-49.5	0	0	0	0	111.3	Q413 C414 S415 Q419 V420 E421	Q413-T417 PolarHBondContact O-N 2.94Å; Q413-T417 PolarHBondContact O-OG1 3.48Å; C414-T417 PolarHBondContact O-N 2.98Å; S415-T417 VanDerWaalsContact C-N 3.3Å; S415-T417 PolarHBondContact O-N 3.47Å; T417-Q419 VanDerWaalsContact C-N 3.29Å; T417-Q419 PolarHBondContact O-N 2.96Å; T417-V420 PolarHBondContact O-N 2.89Å; T417-E421 WeakPolarHBondContact O-CG 3.47Å; T417-E421 PolarHBondContact O-N 3.25Å
418	E	58.9	Low	70.2	Confident	134 Å²	134	101.1 Å²	101.1	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-62.5	-36.4	175.4	-72.4	176.7	179.1	0	0	111.9	C414 S415 E421 A422	C414-E418 WeakPolarHBondContact O-CG 3.31Å; C414-E418 PolarHBondContact O-N 3.3Å; S415-E418 PolarHBondContact O-N 2.77Å; E418-E421 PolarHBondContact O-N 2.91Å; E418-A422 VanDerWaalsContact O-CB 3.31Å; E418-A422 WeakPolarHBondContact O-CB 3.31Å; E418-A422 PolarHBondContact O-N 3.33Å
419	Q	45.6	Very low	68.8	Low	120 Å²	120	103.9 Å²	103.9	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-71.5	-39.1	176.8	-170.3	166.5	-5	0	0	112.2	S415 T417 A422 D423	S415-Q419 VanDerWaalsContact O-CB 3.31Å; S415-Q419 WeakPolarHBondContact O-CB 3.22Å; S415-Q419 PolarHBondContact O-N 3.06Å; T417-Q419 VanDerWaalsContact C-N 3.29Å; T417-Q419 PolarHBondContact O-N 2.96Å; Q419-A422 PolarHBondContact O-N 3.37Å; Q419-D423 WeakPolarHBondContact O-CB 3.46Å; Q419-D423 VanDerWaalsContact O-CG 3.28Å; Q419-D423 PolarHBondContact O-N 2.88Å
420	V	53.9	Low	67.4	Low	86 Å²	86	104.9 Å²	104.9	52%	0.521	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-39.2	172.8	170.1	0	0	0	0	111.3	D416 T417 D423 L424	D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.41Å; D416-V420 PolarHBondContact O-N 3.42Å; T417-V420 PolarHBondContact O-N 2.89Å; V420-D423 PolarHBondContact O-N 3.27Å; V420-L424 HydrophobicContact CG1-CD1 3.93Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 WeakPolarHBondContact O-CD1 3.45Å; V420-L424 WeakPolarHBondContact O-CG 3.19Å; V420-L424 PolarHBondContact O-N 3.2Å
421	E	58.3	Low	65.8	Low	122 Å²	122	107.1 Å²	107.1	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-65	-42	174.3	-74.6	179	176.3	0	0	111.5	T417 E418 L424 E425	T417-E421 WeakPolarHBondContact O-CG 3.47Å; T417-E421 PolarHBondContact O-N 3.25Å; E418-E421 PolarHBondContact O-N 2.91Å; E421-L424 PolarHBondContact O-N 3.49Å; E421-E425 PolarHBondContact O-N 3.49Å
422	A	56.5	Low	64.1	Low	61 Å²	61	106.9 Å²	106.9	50%	0.504	57%	0.572	S	S	.	*	H	α-helix	trans	-69.4	-30.7	176.5	0	0	0	0	0	113.9	E418 Q419 L424	E418-A422 VanDerWaalsContact O-CB 3.31Å; E418-A422 WeakPolarHBondContact O-CB 3.31Å; E418-A422 PolarHBondContact O-N 3.33Å; Q419-A422 PolarHBondContact O-N 3.37Å; A422-L424 VanDerWaalsContact C-N 3.29Å
423	D	61.9	Low	62.6	Low	123 Å²	123	107.8 Å²	107.8	66%	0.658	58%	0.577	S	S	*	*	H	α-helix	trans	-77.7	-14.4	175	-74.5	-20	0	0	0	112.5	Q419 V420	Q419-D423 WeakPolarHBondContact O-CB 3.46Å; Q419-D423 VanDerWaalsContact O-CG 3.28Å; Q419-D423 PolarHBondContact O-N 2.88Å; V420-D423 PolarHBondContact O-N 3.27Å
424	L	67	Low	61.1	Low	141 Å²	141	109.6 Å²	109.6	74%	0.738	59%	0.592	S	S	*	*	H	α-helix	trans	-94.1	-17.1	177.5	-75.6	169.6	0	0	0	113.9	V420 E421 A422	V420-L424 HydrophobicContact CG1-CD1 3.93Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 WeakPolarHBondContact O-CD1 3.45Å; V420-L424 WeakPolarHBondContact O-CG 3.19Å; V420-L424 PolarHBondContact O-N 3.2Å; E421-L424 PolarHBondContact O-N 3.49Å; A422-L424 VanDerWaalsContact C-N 3.29Å
425	E	58.8	Low	59.8	Low	232 Å²	232	112.5 Å²	112.5	100%	1.084	60%	0.598	S	S	*	*			trans	-83	0	170.4	-70.7	-170.3	163.1	0	0	112.1	E421	E421-E425 PolarHBondContact O-N 3.49Å

Retrieved 425 of 425 residues in 1128.4 ms (Link to these results)

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