A0A077Z9I3_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 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	35.2	Very low	32.8	Very low	244 Å²	244	146.1 Å²	146.1	100%	1.202	86%	0.862	S	S	*	*				0	103.9	0	-69.8	-168.7	176.7	0	0	109.2
2	P	36.3	Very low	32.4	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	85%	0.851	S	S	*	*			trans	-128.9	140.4	158.4	35.4	-21.5	0	0	0	111.4
3	T	30.9	Very low	32.1	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	85%	0.845	S	S	*	*			trans	169.1	107.5	138.6	31	0	0	0	0	108.3
4	Q	37.9	Very low	32	Very low	201 Å²	201	144.4 Å²	144.4	94%	0.939	85%	0.852	S	S	*	*			trans	-139.9	125.7	145.4	-79	-162.6	-14.2	0	0	108.5
5	N	32.2	Very low	32.1	Very low	158 Å²	158	148 Å²	148	85%	0.845	85%	0.853	S	S	*	*			trans	-71.9	130.1	-173.8	-66.8	-32.3	0	0	0	110.8
6	G	31.6	Very low	32.1	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	85%	0.847	S	S	*	*			trans	-119	82.6	162.7	0	0	0	0	0	109.1	T8	G6-T8 PolarHBondContact O-N 3.11Å; G6-T8 VanDerWaalsContact O-N 3.17Å
7	E	29.9	Very low	32.3	Very low	194 Å²	194	142 Å²	142	91%	0.907	85%	0.845	S	S	*	*			trans	-68.4	104.9	165.2	-78	180	148.2	0	0	108.4
8	T	34.4	Very low	32.5	Very low	134 Å²	134	139.1 Å²	139.1	82%	0.822	83%	0.832	S	S	*	*			trans	-91.4	116.1	166.5	40.8	0	0	0	0	108.4	G6 N10	G6-T8 PolarHBondContact O-N 3.11Å; G6-T8 VanDerWaalsContact O-N 3.17Å; T8-N10 PolarHBondContact O-N 3.33Å
9	A	31.4	Very low	32.7	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	83%	0.827	S	S	*	*			trans	-59.3	114.4	178.6	0	0	0	0	0	111.1	A11	A9-A11 PolarHBondContact O-N 3.15Å; A9-A11 VanDerWaalsContact O-N 3.14Å
10	N	28.1	Very low	33	Very low	165 Å²	165	133.5 Å²	133.5	88%	0.882	80%	0.804	S	S	*	*			trans	-81.4	87.4	172.3	-152	-3.4	0	0	0	108.7	T8 G12	T8-N10 PolarHBondContact O-N 3.33Å; N10-G12 PolarHBondContact O-N 3.06Å; N10-G12 VanDerWaalsContact O-N 3.12Å
11	A	32.7	Very low	33.3	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	80%	0.804	S	S	*	*			trans	-73.1	99.6	174.1	0	0	0	0	0	109.7	A9 A13	A9-A11 PolarHBondContact O-N 3.15Å; A9-A11 VanDerWaalsContact O-N 3.14Å; A11-A13 PolarHBondContact O-N 3.44Å; A11-A13 VanDerWaalsContact O-N 3.16Å
12	G	28.1	Very low	33.7	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	78%	0.784	S	S	*	*			trans	-62.3	109.7	177.9	0	0	0	0	0	113.1	N10 R14	N10-G12 PolarHBondContact O-N 3.06Å; N10-G12 VanDerWaalsContact O-N 3.12Å; G12-R14 PolarHBondContact O-N 2.72Å; G12-R14 VanDerWaalsContact O-N 3.13Å
13	A	29.2	Very low	34.2	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	77%	0.769	S	S	*	*			trans	-77.2	86.6	160.4	0	0	0	0	0	109.3	A11 K15	A11-A13 PolarHBondContact O-N 3.44Å; A11-A13 VanDerWaalsContact O-N 3.16Å; A13-K15 PolarHBondContact O-N 2.83Å
14	R	30.7	Very low	34.7	Very low	249 Å²	249	131.5 Å²	131.5	94%	0.94	76%	0.764	S	S	*	*			trans	-68.1	95.3	163.5	-80	-175.1	178.3	180	0.5	108.7	G12 G16	G12-R14 PolarHBondContact O-N 2.72Å; G12-R14 VanDerWaalsContact O-N 3.13Å; R14-G16 VanDerWaalsContact C-N 3.26Å; R14-G16 PolarHBondContact O-N 3.46Å
15	K	32.6	Very low	35.3	Very low	199 Å²	199	128 Å²	128	87%	0.865	75%	0.746	S	S	*	*			trans	-65.5	87.7	160.3	-75.8	-176.1	177.2	179.7	0	108.5	A13 C17	A13-K15 PolarHBondContact O-N 2.83Å; K15-C17 PolarHBondContact O-N 2.67Å
16	G	32	Very low	35.8	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	75%	0.746	S	S	*	*			trans	-73	80	167.3	0	0	0	0	0	109.8	R14 C18	R14-G16 VanDerWaalsContact C-N 3.26Å; R14-G16 PolarHBondContact O-N 3.46Å; G16-C18 PolarHBondContact O-N 2.77Å
17	C	36.4	Very low	36	Very low	121 Å²	121	132.6 Å²	132.6	82%	0.818	75%	0.745	S	S	*	*			trans	-69.4	109.3	168.4	-166.5	0	0	0	0	107.7	K15 S19	K15-C17 PolarHBondContact O-N 2.67Å; C17-S19 PolarHBondContact O-N 3.25Å
18	C	35.4	Very low	36.5	Very low	90 Å²	90	125.6 Å²	125.6	61%	0.608	72%	0.716	S	S	*	*			trans	-64.1	95.2	170.2	-92.6	0	0	0	0	109.2	G16 V20	G16-C18 PolarHBondContact O-N 2.77Å; C18-V20 VanDerWaalsContact C-N 3.33Å; C18-V20 HydrophobicContact CB-CG2 4.46Å; C18-V20 PolarHBondContact O-N 2.83Å
19	S	35.7	Very low	36.7	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	72%	0.721	S	S	*	*			trans	-72.4	90.5	164.2	177.7	0	0	0	0	108.5	C17 R21	C17-S19 PolarHBondContact O-N 3.25Å; S19-R21 PolarHBondContact O-N 2.81Å
20	V	39	Very low	37.1	Very low	59 Å²	59	125.8 Å²	125.8	36%	0.358	70%	0.702	S	S	.	*			trans	-81.1	105.6	169.6	-178.5	0	0	0	0	107.2	C18 L22 A39	C18-V20 VanDerWaalsContact C-N 3.33Å; C18-V20 HydrophobicContact CB-CG2 4.46Å; C18-V20 PolarHBondContact O-N 2.83Å; V20-L22 PolarHBondContact O-N 3.46Å; V20-A39 HydrophobicContact CG1-CB 3.91Å
21	R	40.6	Very low	38.1	Very low	218 Å²	218	126.3 Å²	126.3	82%	0.823	70%	0.697	S	S	*	*			trans	-63.5	120.2	170.6	-79.3	-176.2	-179.9	-177.5	0.3	108.8	S19 I23	S19-R21 PolarHBondContact O-N 2.81Å; R21-I23 PolarHBondContact O-N 2.71Å; R21-I23 VanDerWaalsContact O-N 3.14Å
22	L	43.2	Very low	38.9	Very low	148 Å²	148	128.3 Å²	128.3	78%	0.775	69%	0.685	S	S	*	*			trans	-64.8	110.3	169.4	-70.9	168.3	0	0	0	108.4	V20	V20-L22 PolarHBondContact O-N 3.46Å
23	I	45.9	Very low	40.2	Very low	85 Å²	85	130.9 Å²	130.9	44%	0.436	67%	0.673	S	S	.	*			trans	-76	135.9	176.2	-58.4	172.6	0	0	0	108.4	R21 P35	R21-I23 PolarHBondContact O-N 2.71Å; R21-I23 VanDerWaalsContact O-N 3.14Å; I23-P35 HydrophobicContact CD1-CB 3.94Å
24	N	42	Very low	42	Very low	132 Å²	132	128.4 Å²	128.4	71%	0.706	65%	0.647	S	S	*	*			trans	-70.4	139.5	-176.3	-143.4	-12.8	0	0	0	110.7	K26	N24-K26 PolarHBondContact O-N 2.61Å
25	K	49.4	Very low	44.2	Very low	129 Å²	129	118.8 Å²	118.8	56%	0.561	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-6	-170.6	-95.6	-175.1	176.9	-177.1	0	116.8
26	K	42.8	Very low	46.4	Very low	191 Å²	191	111.7 Å²	111.7	83%	0.83	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-9.3	-168.4	-72.1	-170.6	175.7	-176.8	0	115.3	N24	N24-K26 PolarHBondContact O-N 2.61Å
27	D	35.7	Very low	48.9	Very low	134 Å²	134	108.7 Å²	108.7	72%	0.717	55%	0.551	S	S	*	*			trans	-113.5	57.9	-174.3	-71.5	-32.6	0	0	0	113.2
28	T	42.2	Very low	51.3	Low	47 Å²	47	107.7 Å²	107.7	29%	0.288	53%	0.533	S	S	.	.			trans	-137.4	75.4	177	64.7	0	0	0	0	112.5	S30 P35	T28-S30 PolarHBondContact O-N 3.36Å; T28-P35 HydrophobicContact CG2-CB 4.4Å; T28-P35 VanDerWaalsContact CG2-CD 3.49Å; T28-P35 HydrophobicContact CG2-CG 3.84Å
29	N	38.3	Very low	53.8	Low	176 Å²	176	103.9 Å²	103.9	94%	0.941	51%	0.508	S	S	*	.			trans	-79.8	7.4	169.5	-135.3	1.1	0	0	0	113
30	S	40.2	Very low	56.3	Low	61 Å²	61	99.9 Å²	99.9	43%	0.427	48%	0.478	S	S	.	.			trans	-93.9	98	170.6	178.4	0	0	0	0	109.2	T28 Y32 W33	T28-S30 PolarHBondContact O-N 3.36Å; S30-Y32 PolarHBondContact O-N 2.76Å; S30-W33 WeakPolarHBondContact CB-O 3.41Å; S30-W33 PolarHBondContact OG-N 3.46Å; S30-W33 PolarHBondContact OG-O 2.82Å
31	K	48.2	Very low	58.8	Low	177 Å²	177	98 Å²	98	77%	0.77	47%	0.465	S	S	*	.	S	Bend	trans	-57.4	-11	-177.8	-99.2	-178.1	175.2	176.8	0	115.8
32	Y	49.8	Very low	61.3	Low	134 Å²	134	90.7 Å²	90.7	53%	0.525	44%	0.443	S	S	.	.	S	Bend	trans	-131.5	-15.3	-167.3	-53.6	-65.7	0	0	0	114.2	S30	S30-Y32 PolarHBondContact O-N 2.76Å
33	W	55.2	Low	63.7	Low	125 Å²	125	90 Å²	90	47%	0.473	43%	0.434	S	S	.	.			trans	-127.9	94	169.5	-96.8	90.3	0	0	0	106.4	S30 P35 K38	S30-W33 WeakPolarHBondContact CB-O 3.41Å; S30-W33 PolarHBondContact OG-N 3.46Å; S30-W33 PolarHBondContact OG-O 2.82Å; W33-P35 WeakPolarHBondContact O-CD 3.18Å; W33-K38 HydrophobicContact CE3-CB 4.28Å; W33-K38 HydrophobicContact CE3-CD 4.05Å; W33-K38 HydrophobicContact CE3-CG 4.44Å; W33-K38 HydrophobicContact CZ3-CB 4Å; W33-K38 HydrophobicContact CZ3-CD 3.54Å; W33-K38 HydrophobicContact CZ3-CG 3.78Å
34	D	67.8	Low	65.9	Low	42 Å²	42	87.3 Å²	87.3	23%	0.225	42%	0.419	C	S	.	.			trans	-83.1	110.8	172.2	-166.8	-39.2	0	0	0	108.4	Y36 F37 K38 I327	D34-Y36 PolarHBondContact O-N 2.99Å; D34-Y36 WeakPolarHBondContact OD1-CA 3.41Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.08Å; D34-F37 HydrophobicContact CB-CB 4.23Å; D34-F37 PolarHBondContact O-N 3Å; D34-K38 PolarHBondContact O-N 3.1Å; D34-I327 HydrophobicContact CB-CD1 4.3Å; D34-I327 WeakPolarHBondContact OD2-CD1 3.38Å
35	P	76.2	Confident	68.4	Low	47 Å²	47	82 Å²	82	31%	0.305	39%	0.391	S	S	.	.	H	α-helix	trans	-43.6	-34.2	170.4	-30.1	29.7	0	0	0	114.4	I23 T28 W33 A39	I23-P35 HydrophobicContact CD1-CB 3.94Å; T28-P35 HydrophobicContact CG2-CB 4.4Å; T28-P35 VanDerWaalsContact CG2-CD 3.49Å; T28-P35 HydrophobicContact CG2-CG 3.84Å; W33-P35 WeakPolarHBondContact O-CD 3.18Å; P35-A39 WeakPolarHBondContact O-CB 3.37Å; P35-A39 PolarHBondContact O-N 3.24Å
36	Y	78.5	Confident	70.5	Confident	51 Å²	51	77.8 Å²	77.8	20%	0.2	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-49.2	177.2	-176.4	-102.9	0	0	0	111.8	D34 K38 A39 I40 I327	D34-Y36 PolarHBondContact O-N 2.99Å; D34-Y36 WeakPolarHBondContact OD1-CA 3.41Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.08Å; Y36-K38 VanDerWaalsContact C-N 3.3Å; Y36-K38 PolarHBondContact O-N 3.02Å; Y36-A39 PolarHBondContact O-N 2.96Å; Y36-I40 HydrophobicContact CD1-CD1 3.75Å; Y36-I40 HydrophobicContact CE1-CD1 3.31Å; Y36-I40 HydrophobicContact CE1-CG1 4.3Å; Y36-I40 WeakPolarHBondContact O-CG1 3.15Å; Y36-I40 PolarHBondContact O-N 3Å; Y36-I327 HydrophobicContact CD1-CD1 3.77Å; Y36-I327 HydrophobicContact CD1-CG1 4.29Å; Y36-I327 HydrophobicContact CD1-CG2 4.22Å; Y36-I327 HydrophobicContact CE1-CG2 4Å
37	F	84	Confident	73	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.044	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-37.8	177.6	-171.4	-92.2	0	0	0	111.3	D34 A39 I40 L41 L175 E178 I327 F330	D34-F37 HydrophobicContact CB-CB 4.23Å; D34-F37 PolarHBondContact O-N 3Å; F37-A39 VanDerWaalsContact C-N 3.34Å; F37-A39 PolarHBondContact O-N 3.25Å; F37-I40 WeakPolarHBondContact O-CB 3.27Å; F37-I40 PolarHBondContact O-N 3.47Å; F37-L41 WeakPolarHBondContact O-CB 3.5Å; F37-L41 PolarHBondContact O-N 3.26Å; F37-L175 HydrophobicContact CE1-CD2 4.26Å; F37-L175 HydrophobicContact CE2-CD2 4.06Å; F37-L175 HydrophobicContact CZ-CD2 3.6Å; F37-E178 VanDerWaalsContact CE1-OE2 3.27Å; F37-E178 WeakPolarHBondContact CE1-OE2 3.46Å; F37-I327 HydrophobicContact CB-CG1 4.46Å; F37-F330 HydrophobicContact CE2-CB 3.96Å; F37-F330 HydrophobicContact CE2-CD2 4.05Å; F37-F330 AromaticContact CE2-CG 3.96Å; F37-F330 HydrophobicContact CE2-CG 3.96Å
38	K	86.3	Confident	75.8	Confident	99 Å²	99	63.5 Å²	63.5	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-57.7	-46.9	172.4	-175	179.3	-168.9	169.3	0	111.5	W33 D34 Y36 I40 L41 D42	W33-K38 HydrophobicContact CE3-CB 4.28Å; W33-K38 HydrophobicContact CE3-CD 4.05Å; W33-K38 HydrophobicContact CE3-CG 4.44Å; W33-K38 HydrophobicContact CZ3-CB 4Å; W33-K38 HydrophobicContact CZ3-CD 3.54Å; W33-K38 HydrophobicContact CZ3-CG 3.78Å; D34-K38 PolarHBondContact O-N 3.1Å; Y36-K38 VanDerWaalsContact C-N 3.3Å; Y36-K38 PolarHBondContact O-N 3.02Å; K38-I40 VanDerWaalsContact C-N 3.33Å; K38-I40 PolarHBondContact O-N 2.79Å; K38-L41 PolarHBondContact O-N 3.41Å; K38-L41 VanDerWaalsContact O-N 3.17Å; K38-D42 WeakPolarHBondContact O-CB 3.48Å; K38-D42 VanDerWaalsContact O-CG 3.29Å; K38-D42 PolarHBondContact O-N 2.97Å
39	A	89.3	Confident	78.3	Confident	11 Å²	11	67.1 Å²	67.1	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-37.8	178.5	0	0	0	0	0	112.8	V20 P35 Y36 F37 K43	V20-A39 HydrophobicContact CG1-CB 3.91Å; P35-A39 WeakPolarHBondContact O-CB 3.37Å; P35-A39 PolarHBondContact O-N 3.24Å; Y36-A39 PolarHBondContact O-N 2.96Å; F37-A39 VanDerWaalsContact C-N 3.34Å; F37-A39 PolarHBondContact O-N 3.25Å; A39-K43 WeakPolarHBondContact O-CB 3.24Å; A39-K43 PolarHBondContact O-N 3.42Å; A39-K43 VanDerWaalsContact O-N 3.08Å
40	I	87.9	Confident	81	Confident	21 Å²	21	65.6 Å²	65.6	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-50.6	171.8	-72.3	170.9	0	0	0	110.1	Y36 F37 K38 D42 K43 E44 F330	Y36-I40 HydrophobicContact CD1-CD1 3.75Å; Y36-I40 HydrophobicContact CE1-CD1 3.31Å; Y36-I40 HydrophobicContact CE1-CG1 4.3Å; Y36-I40 WeakPolarHBondContact O-CG1 3.15Å; Y36-I40 PolarHBondContact O-N 3Å; F37-I40 WeakPolarHBondContact O-CB 3.27Å; F37-I40 PolarHBondContact O-N 3.47Å; K38-I40 VanDerWaalsContact C-N 3.33Å; K38-I40 PolarHBondContact O-N 2.79Å; I40-D42 PolarHBondContact O-N 3.37Å; I40-K43 WeakPolarHBondContact O-CB 2.9Å; I40-K43 PolarHBondContact O-N 2.93Å; I40-E44 PolarHBondContact O-N 3.22Å; I40-F330 HydrophobicContact CD1-CD1 4.13Å; I40-F330 HydrophobicContact CD1-CE1 3.96Å; I40-F330 HydrophobicContact CG2-CD1 4.27Å; I40-F330 HydrophobicContact CG2-CE1 3.49Å; I40-F330 VanDerWaalsContact CG2-CE1 3.49Å; I40-F330 HydrophobicContact CG2-CE2 4.07Å; I40-F330 HydrophobicContact CG2-CZ 3.36Å
41	L	90.8	Very high	83.5	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-44.2	-178.2	-174.2	62.3	0	0	0	111.3	F37 K38 K43 E44 I45 E178 Y179	F37-L41 WeakPolarHBondContact O-CB 3.5Å; F37-L41 PolarHBondContact O-N 3.26Å; K38-L41 PolarHBondContact O-N 3.41Å; K38-L41 VanDerWaalsContact O-N 3.17Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.04Å; L41-E44 PolarHBondContact O-N 3.26Å; L41-E44 VanDerWaalsContact O-N 3.15Å; L41-I45 HydrophobicContact CG-CD1 4Å; L41-I45 HydrophobicContact CG-CG1 4.49Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.43Å; L41-E178 HydrophobicContact CD2-CG 4.06Å; L41-Y179 HydrophobicContact CD1-CD2 4Å
42	D	93.1	Very high	85.6	Confident	65 Å²	65	58.9 Å²	58.9	35%	0.348	27%	0.272	S	S	.	.	H	α-helix	trans	-58.4	-42	176.4	-72.1	-22.8	0	0	0	111.7	K38 I40 I45 C46	K38-D42 WeakPolarHBondContact O-CB 3.48Å; K38-D42 VanDerWaalsContact O-CG 3.29Å; K38-D42 PolarHBondContact O-N 2.97Å; I40-D42 PolarHBondContact O-N 3.37Å; D42-I45 PolarHBondContact O-N 3.35Å; D42-C46 PolarHBondContact O-N 3.33Å; D42-C46 PolarHBondContact O-SG 2.82Å
43	K	93.2	Very high	87.5	Confident	134 Å²	134	56.7 Å²	56.7	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-61.6	-46.3	174.7	-179	-173.3	173.8	-171.8	0	111.8	A39 I40 L41 I45 C46 A47	A39-K43 WeakPolarHBondContact O-CB 3.24Å; A39-K43 PolarHBondContact O-N 3.42Å; A39-K43 VanDerWaalsContact O-N 3.08Å; I40-K43 WeakPolarHBondContact O-CB 2.9Å; I40-K43 PolarHBondContact O-N 2.93Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.04Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 2.8Å; K43-C46 PolarHBondContact O-N 3.35Å; K43-A47 WeakPolarHBondContact O-CB 3.46Å; K43-A47 PolarHBondContact O-N 3.35Å
44	E	92.8	Very high	89	Confident	29 Å²	29	53.1 Å²	53.1	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-32.6	179.5	-65.4	-52.1	143.9	0	0	112.5	I40 L41 F48 Y123 Y179	I40-E44 PolarHBondContact O-N 3.22Å; L41-E44 PolarHBondContact O-N 3.26Å; L41-E44 VanDerWaalsContact O-N 3.15Å; E44-F48 VanDerWaalsContact O-CB 3.29Å; E44-F48 WeakPolarHBondContact O-CB 3.39Å; E44-F48 PolarHBondContact O-N 3.36Å; E44-Y123 HydrophobicContact CG-CD2 4.42Å; E44-Y179 HydrophobicContact CB-CD2 4.23Å; E44-Y179 HydrophobicContact CB-CE2 3.73Å
45	I	93.9	Very high	88.9	Confident	20 Å²	20	57.3 Å²	57.3	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-47.6	171.9	-68.9	163.7	0	0	0	110.6	L41 D42 K43 F48 K49 S182 V183	L41-I45 HydrophobicContact CG-CD1 4Å; L41-I45 HydrophobicContact CG-CG1 4.49Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.43Å; D42-I45 PolarHBondContact O-N 3.35Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 2.8Å; I45-F48 PolarHBondContact O-N 2.99Å; I45-K49 HydrophobicContact CG2-CD 4.13Å; I45-K49 WeakPolarHBondContact O-CG 3.12Å; I45-K49 PolarHBondContact O-N 3.23Å; I45-S182 WeakPolarHBondContact CD1-OG 3.36Å; I45-S182 VanDerWaalsContact CG1-OG 3.26Å; I45-S182 WeakPolarHBondContact CG1-OG 3.47Å; I45-V183 HydrophobicContact CB-CG1 4.33Å; I45-V183 HydrophobicContact CG1-CG1 4Å; I45-V183 HydrophobicContact CG2-CG1 4.25Å
46	C	95.3	Very high	88.3	Confident	40 Å²	40	61.4 Å²	61.4	27%	0.27	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-49.6	177	-76.8	0	0	0	0	111	D42 K43 F48 K49 E50	D42-C46 PolarHBondContact O-N 3.33Å; D42-C46 PolarHBondContact O-SG 2.82Å; K43-C46 PolarHBondContact O-N 3.35Å; C46-F48 VanDerWaalsContact C-N 3.3Å; C46-F48 PolarHBondContact O-N 3.17Å; C46-K49 PolarHBondContact O-N 3.02Å; C46-K49 VanDerWaalsContact O-N 3.15Å; C46-E50 WeakPolarHBondContact O-CG 3.4Å; C46-E50 PolarHBondContact O-N 3.37Å
47	A	94.7	Very high	87.5	Confident	22 Å²	22	63.9 Å²	63.9	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-37.1	179.1	0	0	0	0	0	112.4	K43 R51	K43-A47 WeakPolarHBondContact O-CB 3.46Å; K43-A47 PolarHBondContact O-N 3.35Å; A47-R51 WeakPolarHBondContact O-CG 3.45Å; A47-R51 PolarHBondContact O-N 3.2Å; A47-R51 VanDerWaalsContact O-N 3.12Å
48	F	95	Very high	86.4	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.013	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-49	172.7	177.2	-83.6	0	0	0	111.5	E44 I45 C46 E50 R51 W52 S120 L121 V183 I185 M213	E44-F48 VanDerWaalsContact O-CB 3.29Å; E44-F48 WeakPolarHBondContact O-CB 3.39Å; E44-F48 PolarHBondContact O-N 3.36Å; I45-F48 PolarHBondContact O-N 2.99Å; C46-F48 VanDerWaalsContact C-N 3.3Å; C46-F48 PolarHBondContact O-N 3.17Å; F48-E50 VanDerWaalsContact C-N 3.3Å; F48-E50 PolarHBondContact O-N 2.82Å; F48-R51 PolarHBondContact O-N 3.45Å; F48-W52 HydrophobicContact CD1-CB 4.3Å; F48-W52 HydrophobicContact CE1-CB 3.94Å; F48-W52 HydrophobicContact CE1-CD2 4.23Å; F48-W52 HydrophobicContact CE1-CE3 4.14Å; F48-W52 HydrophobicContact CE1-CG 4.14Å; F48-W52 HydrophobicContact CZ-CB 4.43Å; F48-W52 HydrophobicContact CZ-CD2 4.22Å; F48-W52 AromaticContact CZ-CE3 3.67Å; F48-W52 HydrophobicContact CZ-CE3 3.67Å; F48-W52 HydrophobicContact CZ-CZ3 4.34Å; F48-W52 VanDerWaalsContact O-CB 3.26Å; F48-W52 WeakPolarHBondContact O-CB 3.36Å; F48-W52 PolarHBondContact O-N 3.01Å; F48-S120 WeakPolarHBondContact CD2-O 3.43Å; F48-L121 HydrophobicContact CD2-CD2 3.95Å; F48-L121 HydrophobicContact CE2-CD2 3.72Å; F48-L121 HydrophobicContact CE2-CG 4.26Å; F48-V183 HydrophobicContact CB-CG1 4.01Å; F48-V183 HydrophobicContact CD1-CB 3.7Å; F48-V183 HydrophobicContact CD1-CG1 3.65Å; F48-V183 HydrophobicContact CD1-CG2 4.22Å; F48-V183 HydrophobicContact CD2-CG1 4.45Å; F48-V183 HydrophobicContact CD2-CG2 4.22Å; F48-V183 HydrophobicContact CE1-CB 3.8Å; F48-V183 HydrophobicContact CE1-CG1 4.29Å; F48-V183 HydrophobicContact CE1-CG2 4.14Å; F48-V183 HydrophobicContact CE2-CG2 4.12Å; F48-V183 HydrophobicContact CG-CB 4.11Å; F48-V183 HydrophobicContact CG-CG1 3.77Å; F48-V183 HydrophobicContact CG-CG2 4.29Å; F48-V183 HydrophobicContact CZ-CB 4.28Å; F48-V183 HydrophobicContact CZ-CG2 4.1Å; F48-I185 HydrophobicContact CE2-CD1 3.75Å; F48-I185 HydrophobicContact CZ-CD1 3.54Å; F48-M213 HydrophobicContact CE1-CE 3.71Å; F48-M213 HydrophobicContact CZ-CE 3.87Å
49	K	93.9	Very high	85	Confident	124 Å²	124	66.1 Å²	66.1	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-37.8	-178.5	-74.1	174.7	179.4	174.1	0	112.3	I45 C46 S53	I45-K49 HydrophobicContact CG2-CD 4.13Å; I45-K49 WeakPolarHBondContact O-CG 3.12Å; I45-K49 PolarHBondContact O-N 3.23Å; C46-K49 PolarHBondContact O-N 3.02Å; C46-K49 VanDerWaalsContact O-N 3.15Å; K49-S53 WeakPolarHBondContact O-CB 3.13Å; K49-S53 PolarHBondContact O-N 3.38Å; K49-S53 VanDerWaalsContact O-N 3.08Å; K49-S53 PolarHBondContact O-OG 3.44Å
50	E	94.2	Very high	83.6	Confident	144 Å²	144	74.2 Å²	74.2	67%	0.673	39%	0.391	S	S	*	.	H	α-helix	trans	-62.4	-50.6	173.8	-72.3	176.1	-176.5	0	0	111.4	C46 F48 W52 S53 S54	C46-E50 WeakPolarHBondContact O-CG 3.4Å; C46-E50 PolarHBondContact O-N 3.37Å; F48-E50 VanDerWaalsContact C-N 3.3Å; F48-E50 PolarHBondContact O-N 2.82Å; E50-W52 PolarHBondContact O-N 3.31Å; E50-S53 PolarHBondContact O-N 2.92Å; E50-S54 PolarHBondContact O-N 3.45Å; E50-S54 VanDerWaalsContact O-N 3.11Å
51	R	93.1	Very high	82.6	Confident	62 Å²	62	76.3 Å²	76.3	23%	0.234	40%	0.4	C	S	.	.	H	α-helix	trans	-63.6	-39.6	177	-70.8	-173.6	-66.6	-90.8	-1.1	112.6	A47 F48 S53 S54 S120	A47-R51 WeakPolarHBondContact O-CG 3.45Å; A47-R51 PolarHBondContact O-N 3.2Å; A47-R51 VanDerWaalsContact O-N 3.12Å; F48-R51 PolarHBondContact O-N 3.45Å; R51-S53 VanDerWaalsContact C-N 3.3Å; R51-S53 PolarHBondContact O-N 3.3Å; R51-S54 VanDerWaalsContact O-CB 3.32Å; R51-S54 WeakPolarHBondContact O-CB 3.35Å; R51-S54 PolarHBondContact O-N 2.88Å; R51-S120 VanDerWaalsContact CZ-O 3.31Å; R51-S120 PolarHBondContact NE-O 3.42Å; R51-S120 PolarHBondContact NH2-O 2.88Å
52	W	91.9	Very high	82	Confident	35 Å²	35	77.8 Å²	77.8	13%	0.133	41%	0.413	C	S	.	.	H	α-helix	trans	-65.5	-33.2	-179.7	-178.1	-93.9	0	0	0	113.4	F48 E50 R116 I117 S120 M213	F48-W52 HydrophobicContact CD1-CB 4.3Å; F48-W52 HydrophobicContact CE1-CB 3.94Å; F48-W52 HydrophobicContact CE1-CD2 4.23Å; F48-W52 HydrophobicContact CE1-CE3 4.14Å; F48-W52 HydrophobicContact CE1-CG 4.14Å; F48-W52 HydrophobicContact CZ-CB 4.43Å; F48-W52 HydrophobicContact CZ-CD2 4.22Å; F48-W52 AromaticContact CZ-CE3 3.67Å; F48-W52 HydrophobicContact CZ-CE3 3.67Å; F48-W52 HydrophobicContact CZ-CZ3 4.34Å; F48-W52 VanDerWaalsContact O-CB 3.26Å; F48-W52 WeakPolarHBondContact O-CB 3.36Å; F48-W52 PolarHBondContact O-N 3.01Å; E50-W52 PolarHBondContact O-N 3.31Å; W52-R116 HydrophobicContact CD2-CG 4.47Å; W52-R116 HydrophobicContact CE3-CG 3.94Å; W52-R116 HydrophobicContact CH2-CB 4.32Å; W52-R116 HydrophobicContact CH2-CG 3.84Å; W52-R116 HydrophobicContact CZ2-CG 4.38Å; W52-R116 HydrophobicContact CZ3-CB 4.09Å; W52-R116 HydrophobicContact CZ3-CG 3.6Å; W52-R116 PolarHBondContact O-NH2 2.88Å; W52-I117 HydrophobicContact CH2-CG1 4.21Å; W52-I117 HydrophobicContact CZ3-CG1 3.81Å; W52-S120 WeakPolarHBondContact CA-OG 3.29Å; W52-M213 HydrophobicContact CD2-CE 3.56Å; W52-M213 HydrophobicContact CD2-SD 4.49Å; W52-M213 HydrophobicContact CE3-CE 3.81Å; W52-M213 HydrophobicContact CG-CE 4.19Å; W52-M213 HydrophobicContact CH2-CB 4.48Å; W52-M213 HydrophobicContact CH2-CE 3.8Å; W52-M213 HydrophobicContact CH2-SD 4.3Å; W52-M213 HydrophobicContact CZ2-CE 3.53Å; W52-M213 HydrophobicContact CZ2-SD 3.63Å; W52-M213 HydrophobicContact CZ3-CE 3.93Å
53	S	90.5	Very high	81.6	Confident	87 Å²	87	75.5 Å²	75.5	61%	0.608	40%	0.4	S	S	*	.	H	α-helix	trans	-83.6	-17.8	177.4	-53.8	0	0	0	0	112.5	K49 E50 R51 T55	K49-S53 WeakPolarHBondContact O-CB 3.13Å; K49-S53 PolarHBondContact O-N 3.38Å; K49-S53 VanDerWaalsContact O-N 3.08Å; K49-S53 PolarHBondContact O-OG 3.44Å; E50-S53 PolarHBondContact O-N 2.92Å; R51-S53 VanDerWaalsContact C-N 3.3Å; R51-S53 PolarHBondContact O-N 3.3Å; S53-T55 PolarHBondContact O-N 3.09Å
54	S	85.6	Confident	81.3	Confident	50 Å²	50	74.7 Å²	74.7	35%	0.35	40%	0.402	S	S	.	.			trans	-67.6	123.1	176.3	-171.6	0	0	0	0	110.6	E50 R51 Q56	E50-S54 PolarHBondContact O-N 3.45Å; E50-S54 VanDerWaalsContact O-N 3.11Å; R51-S54 VanDerWaalsContact O-CB 3.32Å; R51-S54 WeakPolarHBondContact O-CB 3.35Å; R51-S54 PolarHBondContact O-N 2.88Å; S54-Q56 VanDerWaalsContact C-N 3.3Å
55	T	66.2	Low	81.2	Confident	130 Å²	130	77.7 Å²	77.7	80%	0.798	42%	0.417	S	S	*	.			trans	-94.8	20.9	176.6	48.5	0	0	0	0	112.3	S53 P57	S53-T55 PolarHBondContact O-N 3.09Å; T55-P57 WeakPolarHBondContact O-CD 3.36Å; T55-P57 VanDerWaalsContact O-N 3.11Å
56	Q	63.5	Low	81.2	Confident	134 Å²	134	77.6 Å²	77.6	63%	0.626	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.1	124.4	-175.8	-79.1	-164.7	4.6	0	0	110.6	S54 S58	S54-Q56 VanDerWaalsContact C-N 3.3Å; Q56-S58 PolarHBondContact O-N 3.05Å
57	P	61.3	Low	81.2	Confident	103 Å²	103	80.3 Å²	80.3	67%	0.669	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.4	141	173.1	23.5	-30.3	0	0	0	107.8	T55 N59	T55-P57 WeakPolarHBondContact O-CD 3.36Å; T55-P57 VanDerWaalsContact O-N 3.11Å; P57-N59 PolarHBondContact O-N 3.42Å
58	S	62.2	Low	81.2	Confident	46 Å²	46	82.8 Å²	82.8	32%	0.322	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-48.7	126.2	172.1	34.6	0	0	0	0	109.2	Q56 H60 S132	Q56-S58 PolarHBondContact O-N 3.05Å; S58-H60 PolarHBondContact O-N 3.05Å; S58-H60 VanDerWaalsContact O-N 3.17Å; S58-S132 VanDerWaalsContact CB-O 3.27Å; S58-S132 WeakPolarHBondContact CB-O 3.48Å
59	N	57.3	Low	81.2	Confident	110 Å²	110	86.2 Å²	86.2	59%	0.588	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-48.1	127.7	172.1	-91.3	-8.3	0	0	0	108.1	P57 E61	P57-N59 PolarHBondContact O-N 3.42Å; N59-E61 PolarHBondContact O-N 2.94Å
60	H	58.3	Low	81.2	Confident	180 Å²	180	82.3 Å²	82.3	83%	0.833	43%	0.432	S	S	*	.			trans	-71.9	41	177.2	-78.3	-87.2	0	0	0	111.3	S58 S62	S58-H60 PolarHBondContact O-N 3.05Å; S58-H60 VanDerWaalsContact O-N 3.17Å; H60-S62 PolarHBondContact O-N 3.34Å
61	E	67.3	Low	81.2	Confident	65 Å²	65	75.4 Å²	75.4	30%	0.304	40%	0.4	S	S	.	.			trans	-62.2	114	167.5	-81.4	-168.3	173.4	0	0	108	N59 M65 Y66 T131 C133	N59-E61 PolarHBondContact O-N 2.94Å; E61-M65 HydrophobicContact CB-SD 3.99Å; E61-M65 HydrophobicContact CG-SD 3.82Å; E61-Y66 PolarHBondContact OE2-OH 3.1Å; E61-T131 WeakPolarHBondContact OE2-CG2 3.5Å; E61-C133 WeakPolarHBondContact O-CB 3.35Å; E61-C133 PolarHBondContact O-SG 3.41Å; E61-C133 VanDerWaalsContact O-SG 3.34Å
62	S	78.4	Confident	81.1	Confident	51 Å²	51	73 Å²	73	36%	0.357	39%	0.392	S	S	.	.			trans	-64.6	139.1	177.1	179.1	0	0	0	0	109.2	H60 N64 M65	H60-S62 PolarHBondContact O-N 3.34Å; S62-N64 PolarHBondContact O-N 3.43Å; S62-N64 WeakPolarHBondContact OG-CB 3.49Å; S62-N64 PolarHBondContact OG-N 3.33Å; S62-M65 WeakPolarHBondContact O-CB 3.49Å; S62-M65 WeakPolarHBondContact O-CG 3.37Å; S62-M65 PolarHBondContact O-N 3.46Å
63	I	84.9	Confident	81	Confident	17 Å²	17	72 Å²	72	9%	0.087	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-50.1	-26.2	169.3	-175.2	57.9	0	0	0	112.4	M65 Y66 M94 Y140	I63-M65 PolarHBondContact O-N 3.04Å; I63-Y66 PolarHBondContact O-N 2.97Å; I63-Y66 VanDerWaalsContact O-N 3.14Å; I63-M94 HydrophobicContact CD1-CE 3.36Å; I63-M94 HydrophobicContact CD1-SD 3.25Å; I63-M94 WeakPolarHBondContact CD1-SD 3.25Å; I63-Y140 HydrophobicContact CB-CE2 4.23Å; I63-Y140 HydrophobicContact CD1-CD1 3.55Å; I63-Y140 HydrophobicContact CD1-CD2 4.49Å; I63-Y140 HydrophobicContact CD1-CE1 3.55Å; I63-Y140 HydrophobicContact CD1-CE2 4.49Å; I63-Y140 HydrophobicContact CD1-CG 4.04Å; I63-Y140 HydrophobicContact CG1-CD1 4.24Å; I63-Y140 HydrophobicContact CG1-CE1 3.78Å; I63-Y140 HydrophobicContact CG1-CE2 4.26Å
64	N	87.6	Confident	80.8	Confident	117 Å²	117	70.4 Å²	70.4	63%	0.626	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-66.4	-13.8	178.6	-64.2	-18.2	0	0	0	114.1	S62 Y66 K86	S62-N64 PolarHBondContact O-N 3.43Å; S62-N64 WeakPolarHBondContact OG-CB 3.49Å; S62-N64 PolarHBondContact OG-N 3.33Å; N64-Y66 PolarHBondContact O-N 2.88Å; N64-K86 WeakPolarHBondContact O-CD 3.14Å; N64-K86 VanDerWaalsContact O-CE 3.29Å; N64-K86 WeakPolarHBondContact O-CE 3.43Å; N64-K86 PolarHBondContact O-NZ 2.88Å
65	M	90.9	Very high	80.4	Confident	91 Å²	91	70.2 Å²	70.2	45%	0.448	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-74.4	-11.2	174.5	-63.2	-176.7	175.7	0	0	112.9	E61 S62 I63 K86	E61-M65 HydrophobicContact CB-SD 3.99Å; E61-M65 HydrophobicContact CG-SD 3.82Å; S62-M65 WeakPolarHBondContact O-CB 3.49Å; S62-M65 WeakPolarHBondContact O-CG 3.37Å; S62-M65 PolarHBondContact O-N 3.46Å; I63-M65 PolarHBondContact O-N 3.04Å; M65-K86 WeakPolarHBondContact O-CB 3.43Å; M65-K86 WeakPolarHBondContact O-CG 3.38Å; M65-K86 PolarHBondContact O-N 3.4Å
66	Y	94.3	Very high	80.8	Confident	18 Å²	18	65.8 Å²	65.8	7%	0.071	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.5	-177.8	-62.2	-86.7	0	0	0	110.5	E61 I63 N64 V83 R84 Y92 M94 T131 V142	E61-Y66 PolarHBondContact OE2-OH 3.1Å; I63-Y66 PolarHBondContact O-N 2.97Å; I63-Y66 VanDerWaalsContact O-N 3.14Å; N64-Y66 PolarHBondContact O-N 2.88Å; Y66-V83 HydrophobicContact CD1-CB 4.43Å; Y66-V83 HydrophobicContact CD1-CG2 3.78Å; Y66-V83 HydrophobicContact CG-CG2 4.32Å; Y66-R84 WeakPolarHBondContact CA-O 3.47Å; Y66-Y92 HydrophobicContact CD1-CD2 4.35Å; Y66-Y92 AromaticContact CE1-CD2 3.86Å; Y66-Y92 HydrophobicContact CE1-CD2 3.86Å; Y66-Y92 HydrophobicContact CE1-CE2 4.19Å; Y66-M94 HydrophobicContact CD1-CE 4.29Å; Y66-M94 HydrophobicContact CD2-CE 3.79Å; Y66-M94 HydrophobicContact CG-CE 3.69Å; Y66-T131 WeakPolarHBondContact OH-CG2 3.43Å; Y66-V142 HydrophobicContact CE1-CG1 4.01Å; Y66-V142 HydrophobicContact CE2-CG2 4.3Å
67	E	95.3	Very high	81.4	Confident	97 Å²	97	62.1 Å²	62.1	45%	0.453	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.5	166.4	179.4	-179.9	-167.1	0	0	108.6	I69 V83 R84	E67-I69 HydrophobicContact CG-CG1 4.45Å; E67-V83 CarbonylContact O-C 3.43Å; E67-V83 WeakPolarHBondContact O-CA 3.36Å; E67-V83 WeakPolarHBondContact O-CB 2.92Å; E67-R84 HydrophobicContact CB-CB 4.5Å; E67-R84 PolarHBondContact N-O 2.84Å; E67-R84 PolarHBondContact O-N 2.81Å
68	K	94.1	Very high	82.5	Confident	74 Å²	74	58.3 Å²	58.3	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.1	177.6	-63.2	171.9	-174.3	135.2	0	109.2	M81 V83 M359	K68-M81 HydrophobicContact CB-CE 4.05Å; K68-M81 HydrophobicContact CD-SD 4.2Å; K68-V83 HydrophobicContact CG-CG1 4.17Å; K68-M359 HydrophobicContact CD-SD 4.15Å
69	I	94.2	Very high	84	Confident	75 Å²	75	57.2 Å²	57.2	39%	0.385	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-59.7	-170	-60.4	176.8	0	0	0	111.6	E67 L82 R84 Y91	E67-I69 HydrophobicContact CG-CG1 4.45Å; I69-L82 HydrophobicContact CB-CB 4.42Å; I69-L82 HydrophobicContact CB-CD2 4.15Å; I69-L82 HydrophobicContact CB-CG 4.21Å; I69-L82 HydrophobicContact CD1-CD2 4.36Å; I69-L82 HydrophobicContact CD1-CG 4.39Å; I69-L82 HydrophobicContact CG2-CD2 3.99Å; I69-L82 PolarHBondContact N-O 2.78Å; I69-R84 HydrophobicContact CD1-CB 3.77Å; I69-Y91 HydrophobicContact CD1-CD1 4.05Å; I69-Y91 HydrophobicContact CD1-CE1 3.56Å
70	K	93.8	Very high	85.7	Confident	42 Å²	42	54 Å²	54	18%	0.183	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	143.8	-173.1	-177.6	176.8	175	-179.2	0	111.1	L72 M81 L82 T348 E356	K70-L72 PolarHBondContact O-N 3.34Å; K70-M81 CarbonylContact O-C 3.6Å; K70-M81 VanDerWaalsContact O-CA 3.28Å; K70-M81 WeakPolarHBondContact O-CA 3.4Å; K70-L82 PolarHBondContact O-N 3.22Å; K70-T348 HydrophobicContact CD-CG2 4.33Å; K70-T348 PolarHBondContact NZ-OG1 2.75Å; K70-E356 WeakPolarHBondContact CA-OE1 3.07Å
71	T	94.2	Very high	87.5	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.3	169.3	-64.4	0	0	0	0	110.3	T74 R79 V80 Y354 E356	T71-T74 HydrophobicContact CG2-CG2 4.02Å; T71-R79 HydrophobicContact CG2-CB 4.31Å; T71-R79 PolarHBondContact OG1-NH1 3.14Å; T71-V80 CarbonylContact C-O 3.49Å; T71-Y354 HydrophobicContact CG2-CG 4.21Å; T71-E356 WeakPolarHBondContact CB-OE2 3.4Å; T71-E356 PolarHBondContact N-OE1 2.96Å; T71-E356 PolarHBondContact OG1-OE2 3.04Å
72	L	91.8	Very high	88.8	Confident	12 Å²	12	43.1 Å²	43.1	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-22.1	178.1	-61.9	177.4	0	0	0	112.7	K70 V80 L82 A93 L145 T348 F351 Y354	K70-L72 PolarHBondContact O-N 3.34Å; L72-V80 HydrophobicContact CB-CG1 4.37Å; L72-V80 HydrophobicContact CD1-CG1 4.44Å; L72-V80 PolarHBondContact N-O 2.93Å; L72-L82 HydrophobicContact CD1-CB 4.1Å; L72-L82 HydrophobicContact CD2-CB 4.05Å; L72-L82 HydrophobicContact CG-CB 4.04Å; L72-A93 HydrophobicContact CD1-CB 4.12Å; L72-L145 HydrophobicContact CD1-CD1 3.82Å; L72-T348 HydrophobicContact CD2-CG2 3.62Å; L72-F351 HydrophobicContact CB-CD1 4.07Å; L72-F351 HydrophobicContact CB-CE1 4.27Å; L72-F351 HydrophobicContact CD1-CE1 4.42Å; L72-F351 HydrophobicContact CD1-CZ 4.4Å; L72-F351 HydrophobicContact CD2-CB 4.37Å; L72-F351 HydrophobicContact CD2-CD1 4.11Å; L72-F351 HydrophobicContact CD2-CD2 3.95Å; L72-F351 HydrophobicContact CD2-CE1 4.34Å; L72-F351 HydrophobicContact CD2-CE2 4.15Å; L72-F351 HydrophobicContact CD2-CG 3.89Å; L72-F351 HydrophobicContact CD2-CZ 4.33Å; L72-Y354 WeakPolarHBondContact O-CE2 2.97Å
73	G	89.1	Confident	89.7	Confident	12 Å²	12	40.7 Å²	40.7	12%	0.124	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	152.1	179.8	0	0	0	0	0	112.7	R79 V80	G73-R79 CarbonylContact O-C 3.45Å; G73-R79 WeakPolarHBondContact O-CA 3.46Å; G73-V80 PolarHBondContact N-O 2.9Å; G73-V80 PolarHBondContact O-N 2.88Å
74	T	87.3	Confident	90.3	Very high	54 Å²	54	43.6 Å²	43.6	33%	0.331	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	174.2	59.4	0	0	0	0	110.7	T71 R79 Y354 K394	T71-T74 HydrophobicContact CG2-CG2 4.02Å; T74-R79 HydrophobicContact CG2-CB 4.36Å; T74-Y354 HydrophobicContact CG2-CD1 3.88Å; T74-Y354 HydrophobicContact CG2-CE1 4.46Å; T74-Y354 HydrophobicContact CG2-CG 4.41Å; T74-K394 VanDerWaalsContact O-CE 3.29Å; T74-K394 WeakPolarHBondContact O-CE 3.32Å; T74-K394 PolarHBondContact O-NZ 2.99Å
75	G	77.6	Confident	90.7	Very high	47 Å²	47	38.5 Å²	38.5	49%	0.485	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	176.8	179.9	0	0	0	0	0	112	F77 G78	G75-F77 PolarHBondContact O-N 3.4Å; G75-G78 PolarHBondContact N-O 2.93Å; G75-G78 PolarHBondContact O-N 3.17Å; G75-G78 VanDerWaalsContact O-O 3.07Å
76	G	74.3	Confident	90.9	Very high	37 Å²	37	39.3 Å²	39.3	38%	0.381	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.7	-172.5	0	0	0	0	0	115.3	R101 M105	G76-R101 PolarHBondContact O-NE 3.41Å; G76-R101 PolarHBondContact O-NH2 2.84Å; G76-M105 VanDerWaalsContact O-CE 3.26Å; G76-M105 WeakPolarHBondContact O-CE 3.47Å
77	F	75.8	Confident	90.9	Very high	56 Å²	56	42.9 Å²	42.9	25%	0.246	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-4.9	-173.9	-48.3	-73.6	0	0	0	113.8	G75 L97 K98 M105 Q107	G75-F77 PolarHBondContact O-N 3.4Å; F77-L97 HydrophobicContact CB-CD2 3.93Å; F77-K98 PolarHBondContact O-N 3.12Å; F77-M105 HydrophobicContact CD1-CB 4.34Å; F77-M105 HydrophobicContact CD1-CE 3.13Å; F77-M105 HydrophobicContact CD1-SD 3.98Å; F77-M105 HydrophobicContact CE1-CB 3.77Å; F77-M105 HydrophobicContact CE1-CE 3.3Å; F77-M105 HydrophobicContact CE1-CG 4.25Å; F77-M105 HydrophobicContact CE1-SD 3.46Å; F77-M105 WeakPolarHBondContact CE1-SD 3.28Å; F77-M105 HydrophobicContact CG-CE 4.23Å; F77-M105 HydrophobicContact CZ-SD 4.43Å; F77-Q107 HydrophobicContact CD1-CB 4.44Å; F77-Q107 HydrophobicContact CD1-CG 3.94Å; F77-Q107 HydrophobicContact CE1-CB 4.24Å; F77-Q107 HydrophobicContact CE1-CG 3.28Å; F77-Q107 HydrophobicContact CE2-CG 4.23Å; F77-Q107 HydrophobicContact CZ-CG 3.47Å; F77-Q107 VanDerWaalsContact CZ-CG 3.47Å
78	G	84.5	Confident	90.9	Very high	24 Å²	24	42 Å²	42	25%	0.247	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-163.7	-168.2	0	0	0	0	0	114.1	G75 I96	G75-G78 PolarHBondContact N-O 2.93Å; G75-G78 PolarHBondContact O-N 3.17Å; G75-G78 VanDerWaalsContact O-O 3.07Å; G78-I96 CarbonylContact C-O 3.47Å; G78-I96 WeakPolarHBondContact CA-O 3.35Å
79	R	92.3	Very high	90.9	Very high	22 Å²	22	43.5 Å²	43.5	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	-177.9	60.4	176.4	57.5	-141.5	-9.1	111.3	T71 G73 T74 M81 I96 E355 E356 E357	T71-R79 HydrophobicContact CG2-CB 4.31Å; T71-R79 PolarHBondContact OG1-NH1 3.14Å; G73-R79 CarbonylContact O-C 3.45Å; G73-R79 WeakPolarHBondContact O-CA 3.46Å; T74-R79 HydrophobicContact CG2-CB 4.36Å; R79-M81 HydrophobicContact CG-CG 4.21Å; R79-I96 HydrophobicContact CG-CB 4.4Å; R79-I96 PolarHBondContact N-O 3.38Å; R79-I96 PolarHBondContact O-N 3.45Å; R79-E355 PolarHBondContact NH1-O 3.22Å; R79-E356 IonicContact NH1-OE2 3.16Å; R79-E357 IonicContact CZ-OE2 2.72Å; R79-E357 VanDerWaalsContact NH1-N 3.18Å; R79-E357 VanDerWaalsContact NH2-CB 3.27Å; R79-E357 IonicContact NH2-OE1 2.91Å; R79-E357 IonicContact NH2-OE2 2.71Å; R79-E357 PolarHBondContact NH2-OE2 3.11Å
80	V	94.1	Very high	91	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.255	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.9	170.6	-177.5	0	0	0	0	107.2	T71 L72 G73 A93 M94 K95	T71-V80 CarbonylContact C-O 3.49Å; L72-V80 HydrophobicContact CB-CG1 4.37Å; L72-V80 HydrophobicContact CD1-CG1 4.44Å; L72-V80 PolarHBondContact N-O 2.93Å; G73-V80 PolarHBondContact N-O 2.9Å; G73-V80 PolarHBondContact O-N 2.88Å; V80-A93 HydrophobicContact CG1-CB 3.96Å; V80-M94 CarbonylContact C-O 3.58Å; V80-M94 VanDerWaalsContact CA-O 3.3Å; V80-M94 WeakPolarHBondContact CA-O 3.46Å; V80-K95 HydrophobicContact CG2-CB 4.18Å; V80-K95 HydrophobicContact CG2-CG 4.14Å
81	M	95.3	Very high	91.2	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.069	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.5	178.6	-61.9	-172.5	78.9	0	0	111	K68 K70 R79 V83 M94 I96	K68-M81 HydrophobicContact CB-CE 4.05Å; K68-M81 HydrophobicContact CD-SD 4.2Å; K70-M81 CarbonylContact O-C 3.6Å; K70-M81 VanDerWaalsContact O-CA 3.28Å; K70-M81 WeakPolarHBondContact O-CA 3.4Å; R79-M81 HydrophobicContact CG-CG 4.21Å; M81-V83 HydrophobicContact CB-CG1 4.4Å; M81-V83 PolarHBondContact O-N 3.28Å; M81-M94 PolarHBondContact N-O 3.04Å; M81-M94 PolarHBondContact O-N 2.51Å; M81-I96 HydrophobicContact CB-CD1 4.42Å; M81-I96 HydrophobicContact CG-CD1 3.95Å; M81-I96 HydrophobicContact SD-CD1 3.59Å; M81-I96 VanDerWaalsContact SD-CD1 3.59Å
82	L	96.1	Very high	91.3	Very high	4 Å²	4	46 Å²	46	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127	159.8	179	65.8	0	0	0	108.3	I69 K70 L72 Y91 Y92 L145 G346 T348	I69-L82 HydrophobicContact CB-CB 4.42Å; I69-L82 HydrophobicContact CB-CD2 4.15Å; I69-L82 HydrophobicContact CB-CG 4.21Å; I69-L82 HydrophobicContact CD1-CD2 4.36Å; I69-L82 HydrophobicContact CD1-CG 4.39Å; I69-L82 HydrophobicContact CG2-CD2 3.99Å; I69-L82 PolarHBondContact N-O 2.78Å; K70-L82 PolarHBondContact O-N 3.22Å; L72-L82 HydrophobicContact CD1-CB 4.1Å; L72-L82 HydrophobicContact CD2-CB 4.05Å; L72-L82 HydrophobicContact CG-CB 4.04Å; L82-Y91 HydrophobicContact CD1-CD1 3.87Å; L82-Y91 HydrophobicContact CD1-CG 4.37Å; L82-Y91 HydrophobicContact CD2-CD1 4.29Å; L82-Y91 HydrophobicContact CG-CD1 4.21Å; L82-Y92 WeakPolarHBondContact CA-O 3.31Å; L82-L145 HydrophobicContact CD1-CD1 3.99Å; L82-L145 HydrophobicContact CD1-CD2 3.59Å; L82-L145 HydrophobicContact CD1-CG 4.39Å; L82-G346 WeakPolarHBondContact CD2-O 3.39Å; L82-T348 HydrophobicContact CD2-CG2 3.57Å
83	V	96.6	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.1	173.9	-56.8	0	0	0	0	110.7	Y66 E67 K68 M81 Y91 Y92 M94	Y66-V83 HydrophobicContact CD1-CB 4.43Å; Y66-V83 HydrophobicContact CD1-CG2 3.78Å; Y66-V83 HydrophobicContact CG-CG2 4.32Å; E67-V83 CarbonylContact O-C 3.43Å; E67-V83 WeakPolarHBondContact O-CA 3.36Å; E67-V83 WeakPolarHBondContact O-CB 2.92Å; K68-V83 HydrophobicContact CG-CG1 4.17Å; M81-V83 HydrophobicContact CB-CG1 4.4Å; M81-V83 PolarHBondContact O-N 3.28Å; V83-Y91 CarbonylContact O-C 3.55Å; V83-Y91 WeakPolarHBondContact O-CA 3.39Å; V83-Y92 PolarHBondContact N-O 3.44Å; V83-Y92 PolarHBondContact O-N 2.88Å; V83-M94 HydrophobicContact CB-CE 4.46Å; V83-M94 HydrophobicContact CG1-CB 3.67Å; V83-M94 HydrophobicContact CG1-CE 4.01Å; V83-M94 HydrophobicContact CG1-CG 4.48Å; V83-M94 HydrophobicContact CG1-SD 3.98Å; V83-M94 HydrophobicContact CG2-CB 4Å; V83-M94 HydrophobicContact CG2-CE 4.06Å
84	R	97.1	Very high	91.9	Very high	77 Å²	77	45.4 Å²	45.4	29%	0.291	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.3	172.7	-170	-178.3	-170.2	-172.4	6.6	110.2	Y66 E67 I69 K86 K89 D90 Y91	Y66-R84 WeakPolarHBondContact CA-O 3.47Å; E67-R84 HydrophobicContact CB-CB 4.5Å; E67-R84 PolarHBondContact N-O 2.84Å; E67-R84 PolarHBondContact O-N 2.81Å; I69-R84 HydrophobicContact CD1-CB 3.77Å; R84-K86 PolarHBondContact O-N 3.48Å; R84-K89 WeakPolarHBondContact CG-O 3.35Å; R84-K89 PolarHBondContact NE-O 2.99Å; R84-D90 CarbonylContact C-O 3.45Å; R84-D90 VanDerWaalsContact CA-O 3.32Å; R84-D90 WeakPolarHBondContact CA-O 3.14Å; R84-Y91 HydrophobicContact CB-CD1 4.05Å; R84-Y91 HydrophobicContact CB-CE1 4.01Å; R84-Y91 HydrophobicContact CG-CD1 4.25Å; R84-Y91 HydrophobicContact CG-CE1 4.06Å
85	S	96	Very high	92.2	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	125.3	171.8	166.9	0	0	0	0	109.4	A87 T88 K89 D90	S85-A87 PolarHBondContact O-N 3.37Å; S85-A87 PolarHBondContact OG-N 3.49Å; S85-T88 WeakPolarHBondContact CB-OG1 3.4Å; S85-T88 PolarHBondContact OG-N 3.3Å; S85-T88 VanDerWaalsContact OG-N 3.12Å; S85-T88 PolarHBondContact OG-OG1 2.99Å; S85-K89 WeakPolarHBondContact O-CA 3.47Å; S85-K89 PolarHBondContact O-N 3.4Å; S85-D90 PolarHBondContact N-O 3.28Å
86	K	95.7	Very high	93	Very high	109 Å²	109	42.3 Å²	42.3	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.9	177.9	-70.2	178.4	-178.2	173.7	0	111.8	N64 M65 R84 K89	N64-K86 WeakPolarHBondContact O-CD 3.14Å; N64-K86 VanDerWaalsContact O-CE 3.29Å; N64-K86 WeakPolarHBondContact O-CE 3.43Å; N64-K86 PolarHBondContact O-NZ 2.88Å; M65-K86 WeakPolarHBondContact O-CB 3.43Å; M65-K86 WeakPolarHBondContact O-CG 3.38Å; M65-K86 PolarHBondContact O-N 3.4Å; R84-K86 PolarHBondContact O-N 3.48Å; K86-K89 WeakPolarHBondContact O-CE 3.45Å; K86-K89 PolarHBondContact O-NZ 3.44Å
87	A	93.6	Very high	93.9	Very high	93 Å²	93	40.8 Å²	40.8	77%	0.769	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-54.8	-177.5	0	0	0	0	0	112.4	S85	S85-A87 PolarHBondContact O-N 3.37Å; S85-A87 PolarHBondContact OG-N 3.49Å
88	T	95.2	Very high	94.7	Very high	77 Å²	77	40.8 Å²	40.8	47%	0.472	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.3	-173.7	66.9	0	0	0	0	113.5	S85 D90	S85-T88 WeakPolarHBondContact CB-OG1 3.4Å; S85-T88 PolarHBondContact OG-N 3.3Å; S85-T88 VanDerWaalsContact OG-N 3.12Å; S85-T88 PolarHBondContact OG-OG1 2.99Å; T88-D90 WeakPolarHBondContact CB-OD2 3.31Å; T88-D90 PolarHBondContact O-N 3.41Å; T88-D90 WeakPolarHBondContact OG1-CB 3.49Å; T88-D90 PolarHBondContact OG1-N 3.17Å; T88-D90 PolarHBondContact OG1-OD2 3.02Å
89	K	95.5	Very high	95	Very high	107 Å²	107	40.2 Å²	40.2	47%	0.465	21%	0.206	S	C	.	.			trans	66.1	7.4	-172.8	-54.8	-52.4	-172.4	-164.5	0	115.1	R84 S85 K86	R84-K89 WeakPolarHBondContact CG-O 3.35Å; R84-K89 PolarHBondContact NE-O 2.99Å; S85-K89 WeakPolarHBondContact O-CA 3.47Å; S85-K89 PolarHBondContact O-N 3.4Å; K86-K89 WeakPolarHBondContact O-CE 3.45Å; K86-K89 PolarHBondContact O-NZ 3.44Å
90	D	96.2	Very high	94.9	Very high	79 Å²	79	42.4 Å²	42.4	42%	0.422	22%	0.217	S	C	.	.			trans	-72.2	152.8	174.5	-61.5	-44.3	0	0	0	112.1	R84 S85 T88 Y92	R84-D90 CarbonylContact C-O 3.45Å; R84-D90 VanDerWaalsContact CA-O 3.32Å; R84-D90 WeakPolarHBondContact CA-O 3.14Å; S85-D90 PolarHBondContact N-O 3.28Å; T88-D90 WeakPolarHBondContact CB-OD2 3.31Å; T88-D90 PolarHBondContact O-N 3.41Å; T88-D90 WeakPolarHBondContact OG1-CB 3.49Å; T88-D90 PolarHBondContact OG1-N 3.17Å; T88-D90 PolarHBondContact OG1-OD2 3.02Å; D90-Y92 HydrophobicContact CB-CE2 3.83Å
91	Y	97.2	Very high	94.7	Very high	53 Å²	53	46.6 Å²	46.6	21%	0.208	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.7	178.7	-66.3	-86.4	0	0	0	112.2	I69 L82 V83 R84 A345	I69-Y91 HydrophobicContact CD1-CD1 4.05Å; I69-Y91 HydrophobicContact CD1-CE1 3.56Å; L82-Y91 HydrophobicContact CD1-CD1 3.87Å; L82-Y91 HydrophobicContact CD1-CG 4.37Å; L82-Y91 HydrophobicContact CD2-CD1 4.29Å; L82-Y91 HydrophobicContact CG-CD1 4.21Å; V83-Y91 CarbonylContact O-C 3.55Å; V83-Y91 WeakPolarHBondContact O-CA 3.39Å; R84-Y91 HydrophobicContact CB-CD1 4.05Å; R84-Y91 HydrophobicContact CB-CE1 4.01Å; R84-Y91 HydrophobicContact CG-CD1 4.25Å; R84-Y91 HydrophobicContact CG-CE1 4.06Å; Y91-A345 HydrophobicContact CD2-CB 3.87Å; Y91-A345 HydrophobicContact CE2-CB 4.26Å
92	Y	97.1	Very high	94.3	Very high	38 Å²	38	46.2 Å²	46.2	15%	0.149	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.2	-179.3	-58.4	-73	0	0	0	111.3	Y66 L82 V83 D90 I130 V142 L143	Y66-Y92 HydrophobicContact CD1-CD2 4.35Å; Y66-Y92 AromaticContact CE1-CD2 3.86Å; Y66-Y92 HydrophobicContact CE1-CD2 3.86Å; Y66-Y92 HydrophobicContact CE1-CE2 4.19Å; L82-Y92 WeakPolarHBondContact CA-O 3.31Å; V83-Y92 PolarHBondContact N-O 3.44Å; V83-Y92 PolarHBondContact O-N 2.88Å; D90-Y92 HydrophobicContact CB-CE2 3.83Å; Y92-I130 HydrophobicContact CD1-CG1 3.83Å; Y92-I130 HydrophobicContact CE1-CB 4.42Å; Y92-I130 HydrophobicContact CE1-CD1 4.4Å; Y92-I130 HydrophobicContact CE1-CG1 3.81Å; Y92-I130 HydrophobicContact CE1-CG2 4.09Å; Y92-V142 HydrophobicContact CD1-CG1 4.22Å; Y92-V142 HydrophobicContact CD2-CG1 4.2Å; Y92-V142 HydrophobicContact CG-CG1 3.73Å; Y92-L143 WeakPolarHBondContact CB-O 3.5Å
93	A	96.5	Very high	94	Very high	11 Å²	11	46.7 Å²	46.7	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.4	168.5	0	0	0	0	0	109.2	L72 V80 L143 L145	L72-A93 HydrophobicContact CD1-CB 4.12Å; V80-A93 HydrophobicContact CG1-CB 3.96Å; A93-L143 HydrophobicContact CB-CB 4.44Å; A93-L143 PolarHBondContact N-O 3.26Å; A93-L143 WeakPolarHBondContact O-CA 3.45Å; A93-L143 WeakPolarHBondContact O-CB 3.48Å; A93-L143 PolarHBondContact O-N 3.39Å; A93-L145 HydrophobicContact CB-CD1 4.33Å
94	M	95.8	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.5	-178.6	-175.6	-176.9	-78.5	0	0	110.6	I63 Y66 V80 M81 V83 I96 Y140 L141 V142	I63-M94 HydrophobicContact CD1-CE 3.36Å; I63-M94 HydrophobicContact CD1-SD 3.25Å; I63-M94 WeakPolarHBondContact CD1-SD 3.25Å; Y66-M94 HydrophobicContact CD1-CE 4.29Å; Y66-M94 HydrophobicContact CD2-CE 3.79Å; Y66-M94 HydrophobicContact CG-CE 3.69Å; V80-M94 CarbonylContact C-O 3.58Å; V80-M94 VanDerWaalsContact CA-O 3.3Å; V80-M94 WeakPolarHBondContact CA-O 3.46Å; M81-M94 PolarHBondContact N-O 3.04Å; M81-M94 PolarHBondContact O-N 2.51Å; V83-M94 HydrophobicContact CB-CE 4.46Å; V83-M94 HydrophobicContact CG1-CB 3.67Å; V83-M94 HydrophobicContact CG1-CE 4.01Å; V83-M94 HydrophobicContact CG1-CG 4.48Å; V83-M94 HydrophobicContact CG1-SD 3.98Å; V83-M94 HydrophobicContact CG2-CB 4Å; V83-M94 HydrophobicContact CG2-CE 4.06Å; M94-I96 HydrophobicContact CG-CD1 4.47Å; M94-I96 HydrophobicContact CG-CG1 3.93Å; M94-I96 HydrophobicContact SD-CD1 4.18Å; M94-I96 HydrophobicContact SD-CG1 4.16Å; M94-Y140 HydrophobicContact CG-CD1 4.28Å; M94-Y140 HydrophobicContact SD-CD1 3.74Å; M94-Y140 HydrophobicContact SD-CE1 4.42Å; M94-L141 CarbonylContact C-O 3.55Å; M94-L141 WeakPolarHBondContact CA-O 3.39Å; M94-V142 HydrophobicContact CE-CG2 3.71Å; M94-V142 HydrophobicContact CG-CG2 4.34Å
95	K	94.5	Very high	92.9	Very high	30 Å²	30	49.7 Å²	49.7	13%	0.13	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.8	170.4	-170.2	172.4	-176.9	176.9	0	108.7	V80 L97 E114 Y140 L141 L143 D207	V80-K95 HydrophobicContact CG2-CB 4.18Å; V80-K95 HydrophobicContact CG2-CG 4.14Å; K95-L97 HydrophobicContact CG-CD2 4.25Å; K95-L97 HydrophobicContact CG-CG 4.4Å; K95-E114 VanDerWaalsContact NZ-CD 3.33Å; K95-E114 IonicContact NZ-OE1 3.1Å; K95-E114 PolarHBondContact NZ-OE1 3.37Å; K95-E114 IonicContact NZ-OE2 3.99Å; K95-E114 PolarHBondContact NZ-OE2 3.29Å; K95-Y140 WeakPolarHBondContact O-CA 3.47Å; K95-L141 HydrophobicContact CB-CB 4.25Å; K95-L141 PolarHBondContact N-O 2.99Å; K95-L141 PolarHBondContact O-N 3.42Å; K95-L143 HydrophobicContact CB-CD1 4.49Å; K95-D207 IonicContact NZ-OD1 2.72Å; K95-D207 PolarHBondContact NZ-OD1 3.48Å; K95-D207 VanDerWaalsContact NZ-OD1 3.14Å
96	I	94.4	Very high	92.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.7	-175.9	-49.2	-177.2	0	0	0	108.3	G78 R79 M81 M94 Y138 L139 Y140 M359	G78-I96 CarbonylContact C-O 3.47Å; G78-I96 WeakPolarHBondContact CA-O 3.35Å; R79-I96 HydrophobicContact CG-CB 4.4Å; R79-I96 PolarHBondContact N-O 3.38Å; R79-I96 PolarHBondContact O-N 3.45Å; M81-I96 HydrophobicContact CB-CD1 4.42Å; M81-I96 HydrophobicContact CG-CD1 3.95Å; M81-I96 HydrophobicContact SD-CD1 3.59Å; M81-I96 VanDerWaalsContact SD-CD1 3.59Å; M94-I96 HydrophobicContact CG-CD1 4.47Å; M94-I96 HydrophobicContact CG-CG1 3.93Å; M94-I96 HydrophobicContact SD-CD1 4.18Å; M94-I96 HydrophobicContact SD-CG1 4.16Å; I96-Y138 HydrophobicContact CG2-CD1 3.7Å; I96-Y138 HydrophobicContact CG2-CE1 4.43Å; I96-Y138 HydrophobicContact CG2-CG 4Å; I96-L139 WeakPolarHBondContact CA-O 3.36Å; I96-Y140 HydrophobicContact CB-CD1 4.37Å; I96-Y140 HydrophobicContact CB-CE1 4.46Å; I96-Y140 HydrophobicContact CD1-CD1 4.48Å; I96-Y140 HydrophobicContact CD1-CE1 4.33Å; I96-Y140 HydrophobicContact CG1-CD1 3.98Å; I96-Y140 HydrophobicContact CG1-CE1 4.2Å; I96-Y140 HydrophobicContact CG2-CD1 4.02Å; I96-Y140 HydrophobicContact CG2-CE1 3.68Å; I96-M359 HydrophobicContact CD1-SD 3.68Å; I96-M359 HydrophobicContact CG2-SD 4.25Å
97	L	92.9	Very high	91.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.8	-175.9	-56.5	168.9	0	0	0	110.1	F77 K95 K99 V102 T111 Y138 L139	F77-L97 HydrophobicContact CB-CD2 3.93Å; K95-L97 HydrophobicContact CG-CD2 4.25Å; K95-L97 HydrophobicContact CG-CG 4.4Å; L97-K99 PolarHBondContact O-N 3.17Å; L97-V102 HydrophobicContact CB-CG2 4.09Å; L97-T111 HydrophobicContact CD1-CG2 3.63Å; L97-Y138 CarbonylContact O-C 3.5Å; L97-Y138 VanDerWaalsContact O-CA 3.22Å; L97-Y138 WeakPolarHBondContact O-CA 3.39Å; L97-L139 HydrophobicContact CB-CB 4.3Å; L97-L139 PolarHBondContact N-O 2.86Å; L97-L139 PolarHBondContact O-N 3.09Å
98	K	92.5	Very high	91.7	Very high	56 Å²	56	47.4 Å²	47.4	24%	0.243	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.2	178	-164.5	170.8	-173.2	173.1	0	109.4	F77 E100 R101 V102 Y138 E360	F77-K98 PolarHBondContact O-N 3.12Å; K98-E100 WeakPolarHBondContact CE-OE2 3.32Å; K98-E100 IonicContact NZ-OE2 3.14Å; K98-E100 PolarHBondContact O-N 3.48Å; K98-R101 HydrophobicContact CB-CB 4.12Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.34Å; K98-R101 VanDerWaalsContact O-N 3.1Å; K98-V102 WeakPolarHBondContact O-CG2 3.41Å; K98-V102 PolarHBondContact O-N 2.93Å; K98-Y138 HydrophobicContact CB-CD1 3.99Å; K98-Y138 HydrophobicContact CB-CE1 3.81Å; K98-Y138 HydrophobicContact CD-CE1 4.26Å; K98-Y138 HydrophobicContact CG-CD1 4.28Å; K98-Y138 HydrophobicContact CG-CE1 3.82Å; K98-E360 IonicContact NZ-OE2 2.72Å; K98-E360 PolarHBondContact NZ-OE2 2.86Å; K98-E360 VanDerWaalsContact NZ-OE2 3.16Å
99	K	91.1	Very high	91.3	Very high	12 Å²	12	49.8 Å²	49.8	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-43.5	-172.9	-74.2	-172.8	-61	174.9	0	112.8	L97 R101 V102 V103 D135 N136 S137 L139 D365	L97-K99 PolarHBondContact O-N 3.17Å; K99-R101 VanDerWaalsContact C-N 3.27Å; K99-R101 PolarHBondContact O-N 3.23Å; K99-V102 PolarHBondContact O-N 3.43Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.11Å; K99-D135 WeakPolarHBondContact CE-O 3.4Å; K99-D135 PolarHBondContact NZ-O 3.01Å; K99-N136 WeakPolarHBondContact CE-O 3.45Å; K99-N136 PolarHBondContact NZ-O 2.8Å; K99-S137 WeakPolarHBondContact CB-O 3.42Å; K99-S137 PolarHBondContact N-O 3.44Å; K99-L139 HydrophobicContact CD-CD2 4.03Å; K99-L139 HydrophobicContact CD-CG 4.41Å; K99-L139 HydrophobicContact CG-CD2 4.05Å; K99-L139 HydrophobicContact CG-CG 3.87Å; K99-D365 IonicContact NZ-OD1 3.84Å; K99-D365 PolarHBondContact NZ-OD1 3.11Å; K99-D365 IonicContact NZ-OD2 2.84Å; K99-D365 PolarHBondContact NZ-OD2 3.01Å; K99-D365 VanDerWaalsContact NZ-OD2 3.1Å
100	E	90.1	Very high	90.8	Very high	68 Å²	68	46.4 Å²	46.4	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-54.6	-46.1	176	-65.2	168.4	174.4	0	0	111.4	K98 V103 A104 T366 A370	K98-E100 WeakPolarHBondContact CE-OE2 3.32Å; K98-E100 IonicContact NZ-OE2 3.14Å; K98-E100 PolarHBondContact O-N 3.48Å; E100-V103 PolarHBondContact O-N 2.93Å; E100-A104 VanDerWaalsContact O-CB 3.32Å; E100-A104 WeakPolarHBondContact O-CB 3.26Å; E100-A104 PolarHBondContact O-N 3.08Å; E100-T366 VanDerWaalsContact CG-CB 3.42Å; E100-T366 HydrophobicContact CG-CG2 4.34Å; E100-T366 WeakPolarHBondContact OE1-CB 3.14Å; E100-T366 WeakPolarHBondContact OE1-CG2 3.39Å; E100-A370 HydrophobicContact CB-CB 4.31Å; E100-A370 HydrophobicContact CG-CB 4.34Å
101	R	88.4	Confident	90.5	Very high	129 Å²	129	43.4 Å²	43.4	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-38	-177.9	-172.3	166.3	178.6	161.8	0.8	111.8	G76 K98 K99 M105	G76-R101 PolarHBondContact O-NE 3.41Å; G76-R101 PolarHBondContact O-NH2 2.84Å; K98-R101 HydrophobicContact CB-CB 4.12Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.34Å; K98-R101 VanDerWaalsContact O-N 3.1Å; K99-R101 VanDerWaalsContact C-N 3.27Å; K99-R101 PolarHBondContact O-N 3.23Å; R101-M105 HydrophobicContact CB-CE 4.49Å; R101-M105 HydrophobicContact CG-CE 3.21Å; R101-M105 PolarHBondContact O-N 2.7Å; R101-M105 VanDerWaalsContact O-N 3.12Å
102	V	88.5	Confident	90.2	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-43.1	173.3	172.8	0	0	0	0	111.3	L97 K98 K99 R106 Q107 V108 T111	L97-V102 HydrophobicContact CB-CG2 4.09Å; K98-V102 WeakPolarHBondContact O-CG2 3.41Å; K98-V102 PolarHBondContact O-N 2.93Å; K99-V102 PolarHBondContact O-N 3.43Å; V102-R106 PolarHBondContact O-N 3.13Å; V102-Q107 HydrophobicContact CG1-CB 4.24Å; V102-Q107 PolarHBondContact O-N 2.91Å; V102-V108 HydrophobicContact CG1-CG2 4.28Å; V102-T111 WeakPolarHBondContact CG1-OG1 3.29Å
103	V	89.7	Confident	89.8	Confident	14 Å²	14	45.8 Å²	45.8	9%	0.085	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-50.1	177.2	173.5	0	0	0	0	110.8	K99 E100 M105 R106 V108 A370 R371	K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.11Å; E100-V103 PolarHBondContact O-N 2.93Å; V103-M105 VanDerWaalsContact C-N 3.27Å; V103-M105 PolarHBondContact O-N 2.89Å; V103-R106 PolarHBondContact O-N 3.27Å; V103-V108 HydrophobicContact CG2-CG2 4.01Å; V103-A370 HydrophobicContact CB-CB 3.95Å; V103-A370 HydrophobicContact CG1-CB 3.88Å; V103-A370 HydrophobicContact CG2-CB 4.47Å; V103-R371 HydrophobicContact CG1-CG 3.96Å; V103-R371 HydrophobicContact CG2-CG 4.49Å
104	A	86.5	Confident	89.6	Confident	66 Å²	66	45.7 Å²	45.7	55%	0.545	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-37.4	-177.8	0	0	0	0	0	112.8	E100 R106	E100-A104 VanDerWaalsContact O-CB 3.32Å; E100-A104 WeakPolarHBondContact O-CB 3.26Å; E100-A104 PolarHBondContact O-N 3.08Å; A104-R106 VanDerWaalsContact C-N 3.33Å
105	M	84.4	Confident	89.5	Confident	74 Å²	74	48.3 Å²	48.3	37%	0.365	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.5	177.1	-70.1	-168.8	-84.4	0	0	114.5	G76 F77 R101 V103 Q107	G76-M105 VanDerWaalsContact O-CE 3.26Å; G76-M105 WeakPolarHBondContact O-CE 3.47Å; F77-M105 HydrophobicContact CD1-CB 4.34Å; F77-M105 HydrophobicContact CD1-CE 3.13Å; F77-M105 HydrophobicContact CD1-SD 3.98Å; F77-M105 HydrophobicContact CE1-CB 3.77Å; F77-M105 HydrophobicContact CE1-CE 3.3Å; F77-M105 HydrophobicContact CE1-CG 4.25Å; F77-M105 HydrophobicContact CE1-SD 3.46Å; F77-M105 WeakPolarHBondContact CE1-SD 3.28Å; F77-M105 HydrophobicContact CG-CE 4.23Å; F77-M105 HydrophobicContact CZ-SD 4.43Å; R101-M105 HydrophobicContact CB-CE 4.49Å; R101-M105 HydrophobicContact CG-CE 3.21Å; R101-M105 PolarHBondContact O-N 2.7Å; R101-M105 VanDerWaalsContact O-N 3.12Å; V103-M105 VanDerWaalsContact C-N 3.27Å; V103-M105 PolarHBondContact O-N 2.89Å; M105-Q107 HydrophobicContact CB-CG 4.18Å; M105-Q107 WeakPolarHBondContact O-CG 3.21Å; M105-Q107 PolarHBondContact O-N 3.14Å; M105-Q107 PolarHBondContact O-NE2 3.2Å
106	R	85.4	Confident	89.4	Confident	109 Å²	109	52 Å²	52	41%	0.411	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	36.2	178.5	-53	-176.6	-175.6	-164	0.7	113.5	V102 V103 A104 F374	V102-R106 PolarHBondContact O-N 3.13Å; V103-R106 PolarHBondContact O-N 3.27Å; A104-R106 VanDerWaalsContact C-N 3.33Å; R106-F374 HydrophobicContact CG-CE2 4.38Å; R106-F374 HydrophobicContact CG-CZ 4.21Å; R106-F374 VanDerWaalsContact NE-CZ 3.35Å
107	Q	84.9	Confident	89.4	Confident	17 Å²	17	51.8 Å²	51.8	8%	0.079	25%	0.25	C	S	.	.			trans	-101	15.5	-178.6	-64.1	-53.9	-61.1	0	0	113.9	F77 V102 M105 D109 H110 T111	F77-Q107 HydrophobicContact CD1-CB 4.44Å; F77-Q107 HydrophobicContact CD1-CG 3.94Å; F77-Q107 HydrophobicContact CE1-CB 4.24Å; F77-Q107 HydrophobicContact CE1-CG 3.28Å; F77-Q107 HydrophobicContact CE2-CG 4.23Å; F77-Q107 HydrophobicContact CZ-CG 3.47Å; F77-Q107 VanDerWaalsContact CZ-CG 3.47Å; V102-Q107 HydrophobicContact CG1-CB 4.24Å; V102-Q107 PolarHBondContact O-N 2.91Å; M105-Q107 HydrophobicContact CB-CG 4.18Å; M105-Q107 WeakPolarHBondContact O-CG 3.21Å; M105-Q107 PolarHBondContact O-N 3.14Å; M105-Q107 PolarHBondContact O-NE2 3.2Å; Q107-D109 PolarHBondContact O-N 3.24Å; Q107-H110 PolarHBondContact O-N 3.28Å; Q107-H110 PolarHBondContact OE1-ND1 2.98Å; Q107-T111 WeakPolarHBondContact O-CB 3.38Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.31Å
108	V	88.7	Confident	89.5	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-50.6	-176.5	-179.3	0	0	0	0	110.7	V102 V103 H110 T111 I112	V102-V108 HydrophobicContact CG1-CG2 4.28Å; V103-V108 HydrophobicContact CG2-CG2 4.01Å; V108-H110 PolarHBondContact O-N 3.38Å; V108-T111 PolarHBondContact O-N 3.26Å; V108-I112 HydrophobicContact CG1-CD1 3.9Å; V108-I112 WeakPolarHBondContact O-CG1 3.08Å; V108-I112 PolarHBondContact O-N 3.42Å
109	D	86.7	Confident	89.5	Confident	128 Å²	128	52.6 Å²	52.6	68%	0.684	25%	0.253	S	S	*	.	H	α-helix	trans	-66	-40.6	-178	-66.9	-26.5	0	0	0	112.2	Q107 T111 I112 N113	Q107-D109 PolarHBondContact O-N 3.24Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 3.17Å; D109-I112 PolarHBondContact O-N 3Å; D109-N113 WeakPolarHBondContact O-CB 3.31Å; D109-N113 PolarHBondContact O-N 3.41Å
110	H	85.4	Confident	89.7	Confident	36 Å²	36	52 Å²	52	17%	0.167	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-41.8	175.1	-68.1	157	0	0	0	111.7	Q107 V108 N113 E114	Q107-H110 PolarHBondContact O-N 3.28Å; Q107-H110 PolarHBondContact OE1-ND1 2.98Å; V108-H110 PolarHBondContact O-N 3.38Å; H110-N113 PolarHBondContact O-N 3.35Å; H110-E114 WeakPolarHBondContact O-CB 3.13Å; H110-E114 PolarHBondContact O-N 3.35Å
111	T	90.1	Very high	89.9	Confident	16 Å²	16	49.1 Å²	49.1	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-42.3	178.7	-53.8	0	0	0	0	111.9	L97 V102 Q107 V108 D109 N113 K115 L139	L97-T111 HydrophobicContact CD1-CG2 3.63Å; V102-T111 WeakPolarHBondContact CG1-OG1 3.29Å; Q107-T111 WeakPolarHBondContact O-CB 3.38Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.31Å; V108-T111 PolarHBondContact O-N 3.26Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 3.17Å; T111-N113 VanDerWaalsContact C-N 3.34Å; T111-K115 PolarHBondContact O-N 2.66Å; T111-K115 VanDerWaalsContact O-N 3.12Å; T111-L139 HydrophobicContact CG2-CD1 3.65Å
112	I	89.7	Confident	90	Very high	104 Å²	104	46.4 Å²	46.4	53%	0.533	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-44.7	175.3	-69.1	169.5	0	0	0	110.1	V108 D109 K115 R116	V108-I112 HydrophobicContact CG1-CD1 3.9Å; V108-I112 WeakPolarHBondContact O-CG1 3.08Å; V108-I112 PolarHBondContact O-N 3.42Å; D109-I112 PolarHBondContact O-N 3Å; I112-K115 PolarHBondContact O-N 2.7Å; I112-R116 WeakPolarHBondContact O-CB 3.42Å; I112-R116 PolarHBondContact O-N 2.84Å
113	N	89.5	Confident	90.3	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-42.2	-179.1	-167.7	46.1	0	0	0	111.8	D109 H110 T111 R116 I117 A211	D109-N113 WeakPolarHBondContact O-CB 3.31Å; D109-N113 PolarHBondContact O-N 3.41Å; H110-N113 PolarHBondContact O-N 3.35Å; T111-N113 VanDerWaalsContact C-N 3.34Å; N113-R116 PolarHBondContact O-N 3.08Å; N113-I117 WeakPolarHBondContact ND2-CD1 3.32Å; N113-I117 WeakPolarHBondContact O-CB 3.42Å; N113-I117 VanDerWaalsContact O-CG1 3.3Å; N113-I117 WeakPolarHBondContact O-CG1 3.48Å; N113-I117 PolarHBondContact O-N 3.17Å; N113-A211 PolarHBondContact ND2-O 2.72Å
114	E	92.6	Very high	90.6	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-53.9	173.9	176.5	174.5	-157.9	0	0	110.7	K95 H110 R116 I117 L118 L141 F208 G209	K95-E114 VanDerWaalsContact NZ-CD 3.33Å; K95-E114 IonicContact NZ-OE1 3.1Å; K95-E114 PolarHBondContact NZ-OE1 3.37Å; K95-E114 IonicContact NZ-OE2 3.99Å; K95-E114 PolarHBondContact NZ-OE2 3.29Å; H110-E114 WeakPolarHBondContact O-CB 3.13Å; H110-E114 PolarHBondContact O-N 3.35Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 2.77Å; E114-I117 PolarHBondContact O-N 3.48Å; E114-L118 HydrophobicContact CG-CD1 3.73Å; E114-L118 HydrophobicContact CG-CG 4.44Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 2.96Å; E114-L141 HydrophobicContact CG-CD1 4.49Å; E114-F208 HydrophobicContact CG-CB 4.11Å; E114-F208 PolarHBondContact OE1-N 3.09Å; E114-G209 PolarHBondContact OE1-N 3.21Å
115	K	92.5	Very high	91.2	Very high	55 Å²	55	44.3 Å²	44.3	24%	0.239	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-43.9	178.2	-178.2	-93.9	171.8	179.2	0	111.6	T111 I112 F119 L129 S132 L141	T111-K115 PolarHBondContact O-N 2.66Å; T111-K115 VanDerWaalsContact O-N 3.12Å; I112-K115 PolarHBondContact O-N 2.7Å; K115-F119 VanDerWaalsContact O-CB 3.26Å; K115-F119 WeakPolarHBondContact O-CB 3.5Å; K115-F119 PolarHBondContact O-N 3.18Å; K115-L129 HydrophobicContact CG-CD2 4.45Å; K115-S132 VanDerWaalsContact CE-OG 3.27Å; K115-S132 WeakPolarHBondContact CE-OG 3.46Å; K115-L141 HydrophobicContact CB-CD2 3.96Å; K115-L141 HydrophobicContact CG-CD2 3.71Å
116	R	92.9	Very high	91.8	Very high	109 Å²	109	41 Å²	41	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-68.5	-41.7	-176.8	-166.3	-179.6	179.2	165	3.3	112.1	W52 I112 N113 E114 S120	W52-R116 HydrophobicContact CD2-CG 4.47Å; W52-R116 HydrophobicContact CE3-CG 3.94Å; W52-R116 HydrophobicContact CH2-CB 4.32Å; W52-R116 HydrophobicContact CH2-CG 3.84Å; W52-R116 HydrophobicContact CZ2-CG 4.38Å; W52-R116 HydrophobicContact CZ3-CB 4.09Å; W52-R116 HydrophobicContact CZ3-CG 3.6Å; W52-R116 PolarHBondContact O-NH2 2.88Å; I112-R116 WeakPolarHBondContact O-CB 3.42Å; I112-R116 PolarHBondContact O-N 2.84Å; N113-R116 PolarHBondContact O-N 3.08Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 2.77Å; R116-S120 WeakPolarHBondContact O-CB 3.21Å; R116-S120 PolarHBondContact O-N 3.4Å; R116-S120 PolarHBondContact O-OG 2.76Å
117	I	94.8	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-57.4	174.3	-72.1	172.8	0	0	0	109.1	W52 N113 E114 F119 S120 L121 I185 F208 A211	W52-I117 HydrophobicContact CH2-CG1 4.21Å; W52-I117 HydrophobicContact CZ3-CG1 3.81Å; N113-I117 WeakPolarHBondContact ND2-CD1 3.32Å; N113-I117 WeakPolarHBondContact O-CB 3.42Å; N113-I117 VanDerWaalsContact O-CG1 3.3Å; N113-I117 WeakPolarHBondContact O-CG1 3.48Å; N113-I117 PolarHBondContact O-N 3.17Å; E114-I117 PolarHBondContact O-N 3.48Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.07Å; I117-S120 WeakPolarHBondContact O-CA 3.34Å; I117-S120 PolarHBondContact O-N 3.12Å; I117-L121 HydrophobicContact CG2-CD1 3.61Å; I117-L121 HydrophobicContact CG2-CG 4.05Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.89Å; I117-I185 HydrophobicContact CD1-CD1 4.49Å; I117-I185 HydrophobicContact CD1-CG2 4.43Å; I117-I185 HydrophobicContact CG1-CD1 4.11Å; I117-I185 HydrophobicContact CG2-CD1 3.87Å; I117-F208 HydrophobicContact CG2-CD1 3.75Å; I117-F208 HydrophobicContact CG2-CE1 4.4Å; I117-F208 HydrophobicContact CG2-CG 4.41Å; I117-A211 HydrophobicContact CD1-CB 3.78Å
118	L	94.4	Very high	92.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-41.5	-178.1	-80.5	171.8	0	0	0	113.3	E114 S120 L121 V127 L129 L141 L143 F208	E114-L118 HydrophobicContact CG-CD1 3.73Å; E114-L118 HydrophobicContact CG-CG 4.44Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 2.96Å; L118-S120 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 2.94Å; L118-V127 HydrophobicContact CD2-CG1 3.87Å; L118-L129 HydrophobicContact CB-CB 4.03Å; L118-L129 HydrophobicContact CB-CD2 4.26Å; L118-L141 HydrophobicContact CD1-CD1 4.37Å; L118-L143 HydrophobicContact CD1-CD2 4.15Å; L118-F208 HydrophobicContact CD1-CB 4.5Å; L118-F208 HydrophobicContact CD2-CB 4.29Å; L118-F208 HydrophobicContact CD2-CD2 3.42Å; L118-F208 VanDerWaalsContact CD2-CD2 3.42Å; L118-F208 HydrophobicContact CD2-CE2 3.91Å; L118-F208 HydrophobicContact CD2-CG 3.95Å; L118-F208 HydrophobicContact CG-CB 4.05Å; L118-F208 HydrophobicContact CG-CD2 4.13Å; L118-F208 HydrophobicContact CG-CG 4.22Å
119	F	93.2	Very high	93.1	Very high	75 Å²	75	38.7 Å²	38.7	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-32.1	175.7	-179.8	-100.9	0	0	0	113.2	K115 I117 L129	K115-F119 VanDerWaalsContact O-CB 3.26Å; K115-F119 WeakPolarHBondContact O-CB 3.5Å; K115-F119 PolarHBondContact O-N 3.18Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.07Å; F119-L129 HydrophobicContact CB-CD2 3.93Å; F119-L129 HydrophobicContact CD2-CD2 4.49Å
120	S	94.8	Very high	93.4	Very high	1 Å²	1	36 Å²	36	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-88.5	-21.7	-175	-53.1	0	0	0	0	112.7	F48 R51 W52 R116 I117 L118	F48-S120 WeakPolarHBondContact CD2-O 3.43Å; R51-S120 VanDerWaalsContact CZ-O 3.31Å; R51-S120 PolarHBondContact NE-O 3.42Å; R51-S120 PolarHBondContact NH2-O 2.88Å; W52-S120 WeakPolarHBondContact CA-OG 3.29Å; R116-S120 WeakPolarHBondContact O-CB 3.21Å; R116-S120 PolarHBondContact O-N 3.4Å; R116-S120 PolarHBondContact O-OG 2.76Å; I117-S120 WeakPolarHBondContact O-CA 3.34Å; I117-S120 PolarHBondContact O-N 3.12Å; L118-S120 PolarHBondContact O-N 3.31Å
121	L	94.4	Very high	93.7	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	17%	0.169	C	C	.	.			trans	-75.7	138.9	178.3	-64.6	174	0	0	0	111.6	F48 I117 L118 Y179 L180 I185 F208	F48-L121 HydrophobicContact CD2-CD2 3.95Å; F48-L121 HydrophobicContact CE2-CD2 3.72Å; F48-L121 HydrophobicContact CE2-CG 4.26Å; I117-L121 HydrophobicContact CG2-CD1 3.61Å; I117-L121 HydrophobicContact CG2-CG 4.05Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 2.94Å; L121-Y179 HydrophobicContact CD2-CD1 4.29Å; L121-Y179 HydrophobicContact CD2-CE1 3.48Å; L121-Y179 VanDerWaalsContact CD2-CE1 3.48Å; L121-L180 HydrophobicContact CD1-CD2 4.02Å; L121-L180 HydrophobicContact CD2-CD2 3.51Å; L121-L180 HydrophobicContact CG-CD2 4.45Å; L121-I185 HydrophobicContact CD2-CD1 4.3Å; L121-F208 HydrophobicContact CD1-CD1 3.88Å; L121-F208 HydrophobicContact CD1-CE1 3.37Å; L121-F208 HydrophobicContact CD1-CE2 4.43Å; L121-F208 HydrophobicContact CD1-CZ 3.69Å
122	N	90.9	Very high	93.8	Very high	72 Å²	72	34.8 Å²	34.8	39%	0.385	17%	0.168	S	C	.	.			trans	-150.1	97.8	165.2	-177.7	45.1	0	0	0	107.6
123	Y	95.2	Very high	93.8	Very high	8 Å²	8	30.6 Å²	30.6	3%	0.031	15%	0.147	C	C	.	.			trans	-149.7	144.9	-175.9	-159.6	-101.7	0	0	0	110.1	E44 F125 M126 L175 Y179 F330	E44-Y123 HydrophobicContact CG-CD2 4.42Å; Y123-F125 HydrophobicContact CD1-CD2 4.28Å; Y123-F125 AromaticContact CE1-CD2 3.87Å; Y123-F125 HydrophobicContact CE1-CD2 3.87Å; Y123-F125 HydrophobicContact CE1-CE2 4.32Å; Y123-F125 PolarHBondContact O-N 3.11Å; Y123-M126 PolarHBondContact O-N 3.25Å; Y123-L175 HydrophobicContact CE1-CB 4.42Å; Y123-Y179 HydrophobicContact CD1-CD1 4.2Å; Y123-Y179 HydrophobicContact CD1-CG 4.38Å; Y123-Y179 AromaticContact CD2-CD1 3.7Å; Y123-Y179 HydrophobicContact CD2-CD1 3.7Å; Y123-Y179 AromaticContact CD2-CD2 3.81Å; Y123-Y179 HydrophobicContact CD2-CD2 3.81Å; Y123-Y179 HydrophobicContact CD2-CE1 4.12Å; Y123-Y179 HydrophobicContact CD2-CE2 4.24Å; Y123-Y179 AromaticContact CD2-CG 3.5Å; Y123-Y179 HydrophobicContact CD2-CG 3.5Å; Y123-Y179 HydrophobicContact CE2-CD1 4.43Å; Y123-Y179 HydrophobicContact CE2-CD2 4.07Å; Y123-Y179 AromaticContact CE2-CG 3.83Å; Y123-Y179 HydrophobicContact CE2-CG 3.83Å; Y123-Y179 AromaticContact CG-CD1 3.56Å; Y123-Y179 HydrophobicContact CG-CD1 3.56Å; Y123-Y179 HydrophobicContact CG-CE1 4.05Å; Y123-Y179 AromaticContact CG-CG 3.81Å; Y123-Y179 HydrophobicContact CG-CG 3.81Å; Y123-F330 HydrophobicContact CD2-CE2 4.25Å; Y123-F330 HydrophobicContact CE1-CD2 4.39Å; Y123-F330 HydrophobicContact CE1-CE2 4.33Å; Y123-F330 HydrophobicContact CE2-CD2 4.22Å; Y123-F330 AromaticContact CE2-CE2 3.54Å; Y123-F330 HydrophobicContact CE2-CE2 3.54Å; Y123-F330 AromaticContact CZ-CD2 3.78Å; Y123-F330 AromaticContact CZ-CE2 3.58Å; Y123-F330 WeakPolarHBondContact OH-CD2 3.39Å
124	P	95.8	Very high	93.8	Very high	33 Å²	33	35.7 Å²	35.7	21%	0.214	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	-169.7	-29.3	36.1	0	0	0	115.3	K204 F330 R332	P124-K204 WeakPolarHBondContact O-CE 3.43Å; P124-K204 PolarHBondContact O-NZ 2.77Å; P124-F330 HydrophobicContact CG-CD2 4.07Å; P124-F330 HydrophobicContact CG-CE2 3.63Å; P124-F330 HydrophobicContact CG-CZ 4.02Å; P124-R332 HydrophobicContact CB-CG 4.4Å
125	F	98	Very high	93.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	14.7	-177.3	-44.2	-50.5	0	0	0	113.8	Y123 Q172 L175 A176 Y202 L203 K204 V205 L329 R332	Y123-F125 HydrophobicContact CD1-CD2 4.28Å; Y123-F125 AromaticContact CE1-CD2 3.87Å; Y123-F125 HydrophobicContact CE1-CD2 3.87Å; Y123-F125 HydrophobicContact CE1-CE2 4.32Å; Y123-F125 PolarHBondContact O-N 3.11Å; F125-Q172 HydrophobicContact CD1-CB 4.28Å; F125-Q172 HydrophobicContact CD1-CG 4.15Å; F125-Q172 HydrophobicContact CD2-CB 4.23Å; F125-Q172 HydrophobicContact CE1-CG 3.96Å; F125-Q172 HydrophobicContact CE2-CB 4.45Å; F125-Q172 HydrophobicContact CE2-CG 4.38Å; F125-Q172 HydrophobicContact CG-CB 4.15Å; F125-Q172 HydrophobicContact CG-CG 4.47Å; F125-Q172 HydrophobicContact CZ-CG 4.07Å; F125-L175 HydrophobicContact CD2-CB 4.07Å; F125-L175 HydrophobicContact CE2-CB 3.83Å; F125-L175 HydrophobicContact CE2-CD1 3.71Å; F125-L175 HydrophobicContact CE2-CG 4.4Å; F125-L175 HydrophobicContact CZ-CD1 4.36Å; F125-A176 HydrophobicContact CB-CB 4.3Å; F125-Y202 HydrophobicContact CD1-CD1 4.34Å; F125-Y202 AromaticContact CE1-CD1 3.65Å; F125-Y202 HydrophobicContact CE1-CD1 3.65Å; F125-Y202 HydrophobicContact CE1-CE1 4.11Å; F125-L203 WeakPolarHBondContact CA-O 3.39Å; F125-K204 CarbonylContact O-C 3.47Å; F125-K204 WeakPolarHBondContact O-CA 3.05Å; F125-V205 WeakPolarHBondContact O-CG2 3.29Å; F125-V205 PolarHBondContact O-N 2.78Å; F125-L329 HydrophobicContact CZ-CG 4.36Å; F125-L329 WeakPolarHBondContact CZ-O 3.32Å; F125-R332 HydrophobicContact CE1-CG 4.18Å
126	M	97.6	Very high	93.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.02	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-112.9	142.8	174.7	-58.4	-61.5	-175.5	0	0	109.6	Y123 A176 Y179 L180 K204 V205 F208	Y123-M126 PolarHBondContact O-N 3.25Å; M126-A176 HydrophobicContact CE-CB 3.5Å; M126-A176 WeakPolarHBondContact CE-O 3.35Å; M126-A176 HydrophobicContact SD-CB 4.33Å; M126-Y179 HydrophobicContact CE-CD1 4.34Å; M126-L180 HydrophobicContact CE-CD1 3.69Å; M126-L180 HydrophobicContact CE-CD2 3.76Å; M126-L180 HydrophobicContact CE-CG 3.44Å; M126-L180 VanDerWaalsContact CE-CG 3.44Å; M126-K204 VanDerWaalsContact O-CD 3.29Å; M126-K204 WeakPolarHBondContact O-CD 3.49Å; M126-K204 PolarHBondContact O-NZ 3.33Å; M126-V205 HydrophobicContact SD-CB 3.69Å; M126-V205 HydrophobicContact SD-CG1 4.32Å; M126-V205 HydrophobicContact SD-CG2 3.96Å; M126-F208 HydrophobicContact SD-CE1 4.41Å; M126-F208 HydrophobicContact SD-CZ 3.65Å
127	V	97.1	Very high	93.4	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.024	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-64.5	134.6	168.4	74.9	0	0	0	0	109.8	L118 L143 E144 V205 F208	L118-V127 HydrophobicContact CD2-CG1 3.87Å; V127-L143 HydrophobicContact CG1-CD2 4.36Å; V127-L143 HydrophobicContact CG2-CB 4.09Å; V127-L143 HydrophobicContact CG2-CD2 4.45Å; V127-E144 WeakPolarHBondContact CA-OE1 3.16Å; V127-E144 HydrophobicContact CG2-CG 3.75Å; V127-V205 WeakPolarHBondContact CB-O 3.45Å; V127-V205 WeakPolarHBondContact CG1-O 3.33Å; V127-V205 PolarHBondContact N-O 2.88Å; V127-F208 HydrophobicContact CG1-CE2 4.26Å
128	K	95.6	Very high	93.3	Very high	99 Å²	99	33.3 Å²	33.3	43%	0.43	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-92.4	131.2	179.7	-171.7	177.3	178.8	-178.4	0	111	I130 L143 E144	K128-I130 HydrophobicContact CB-CD1 4.49Å; K128-I130 HydrophobicContact CD-CD1 4.11Å; K128-I130 HydrophobicContact CG-CD1 4.18Å; K128-L143 CarbonylContact O-C 3.54Å; K128-L143 WeakPolarHBondContact O-CA 3.37Å; K128-E144 HydrophobicContact CB-CB 4.47Å; K128-E144 HydrophobicContact CB-CG 4.22Å; K128-E144 WeakPolarHBondContact CB-OE1 3.47Å; K128-E144 PolarHBondContact N-OE1 3.19Å; K128-E144 PolarHBondContact O-N 3Å
129	L	94.5	Very high	93.2	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.7	162.9	-173.9	71.3	0	0	0	109.6	K115 L118 F119 T131 L141 L143	K115-L129 HydrophobicContact CG-CD2 4.45Å; L118-L129 HydrophobicContact CB-CB 4.03Å; L118-L129 HydrophobicContact CB-CD2 4.26Å; F119-L129 HydrophobicContact CB-CD2 3.93Å; F119-L129 HydrophobicContact CD2-CD2 4.49Å; L129-T131 VanDerWaalsContact CD1-O 3.29Å; L129-T131 WeakPolarHBondContact CD1-O 3.29Å; L129-L141 HydrophobicContact CD1-CB 3.78Å; L129-L141 HydrophobicContact CD1-CD2 4.22Å; L129-L143 HydrophobicContact CB-CD2 4.31Å; L129-L143 HydrophobicContact CD1-CD2 3.86Å
130	I	93.1	Very high	93.2	Very high	70 Å²	70	31.7 Å²	31.7	36%	0.359	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-51.9	178.2	-53.6	-56.8	0	0	0	109.5	Y92 K128 V142 E144	Y92-I130 HydrophobicContact CD1-CG1 3.83Å; Y92-I130 HydrophobicContact CE1-CB 4.42Å; Y92-I130 HydrophobicContact CE1-CD1 4.4Å; Y92-I130 HydrophobicContact CE1-CG1 3.81Å; Y92-I130 HydrophobicContact CE1-CG2 4.09Å; K128-I130 HydrophobicContact CB-CD1 4.49Å; K128-I130 HydrophobicContact CD-CD1 4.11Å; K128-I130 HydrophobicContact CG-CD1 4.18Å; I130-V142 HydrophobicContact CB-CG1 4.41Å; I130-V142 WeakPolarHBondContact CB-O 3.44Å; I130-V142 PolarHBondContact N-O 3.43Å; I130-E144 HydrophobicContact CD1-CB 4.38Å
131	T	91.9	Very high	93.1	Very high	18 Å²	18	32.1 Å²	32.1	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	170.8	177.2	-169.5	0	0	0	0	110.2	E61 Y66 L129 V142	E61-T131 WeakPolarHBondContact OE2-CG2 3.5Å; Y66-T131 WeakPolarHBondContact OH-CG2 3.43Å; L129-T131 VanDerWaalsContact CD1-O 3.29Å; L129-T131 WeakPolarHBondContact CD1-O 3.29Å; T131-V142 HydrophobicContact CG2-CB 3.6Å; T131-V142 HydrophobicContact CG2-CG1 4.25Å; T131-V142 HydrophobicContact CG2-CG2 3.63Å; T131-V142 PolarHBondContact N-O 3.22Å; T131-V142 PolarHBondContact O-N 2.92Å
132	S	91.5	Very high	93.1	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.8	173.5	61.3	0	0	0	0	109.5	S58 K115 Y140	S58-S132 VanDerWaalsContact CB-O 3.27Å; S58-S132 WeakPolarHBondContact CB-O 3.48Å; K115-S132 VanDerWaalsContact CE-OG 3.27Å; K115-S132 WeakPolarHBondContact CE-OG 3.46Å; S132-Y140 CarbonylContact C-O 3.53Å; S132-Y140 WeakPolarHBondContact CA-O 3.27Å; S132-Y140 WeakPolarHBondContact CB-O 3.16Å
133	C	89.8	Confident	93.3	Very high	15 Å²	15	28.8 Å²	28.8	10%	0.101	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	176.1	174.7	63.5	0	0	0	0	111.1	E61 Y140	E61-C133 WeakPolarHBondContact O-CB 3.35Å; E61-C133 PolarHBondContact O-SG 3.41Å; E61-C133 VanDerWaalsContact O-SG 3.34Å; C133-Y140 PolarHBondContact N-O 3.33Å; C133-Y140 PolarHBondContact O-N 2.71Å
134	K	90.2	Very high	93.4	Very high	143 Å²	143	30.7 Å²	30.7	62%	0.622	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.7	176.8	64.2	177.3	-177.3	174	0	109.9	Y138 L139	K134-Y138 WeakPolarHBondContact CA-O 2.95Å; K134-L139 HydrophobicContact CB-CD2 3.69Å; K134-L139 HydrophobicContact CD-CD2 4.44Å
135	D	89.2	Confident	93.4	Very high	36 Å²	36	30.5 Å²	30.5	19%	0.193	15%	0.15	C	C	.	.			trans	-126.9	-161.5	167.8	65	29.2	0	0	0	110.1	K99 S137 Y138 Y140 F361	K99-D135 WeakPolarHBondContact CE-O 3.4Å; K99-D135 PolarHBondContact NZ-O 3.01Å; D135-S137 VanDerWaalsContact C-N 3.27Å; D135-S137 PolarHBondContact O-N 3.29Å; D135-S137 WeakPolarHBondContact OD1-CA 3.33Å; D135-S137 PolarHBondContact OD1-N 2.49Å; D135-Y138 PolarHBondContact N-O 3.12Å; D135-Y138 PolarHBondContact OD1-N 3.45Å; D135-Y140 HydrophobicContact CB-CE2 4.34Å; D135-Y140 VanDerWaalsContact OD2-CE2 3.23Å; D135-Y140 WeakPolarHBondContact OD2-CE2 3.49Å; D135-Y140 VanDerWaalsContact OD2-CZ 3.3Å; D135-Y140 PolarHBondContact OD2-OH 3.48Å; D135-F361 WeakPolarHBondContact OD2-CE1 3.39Å
136	N	89.1	Confident	93.4	Very high	65 Å²	65	30.7 Å²	30.7	35%	0.348	15%	0.152	S	C	.	.	S	Bend	trans	-65.1	-24.6	179	-76.9	-12.3	0	0	0	114.3	K99 S362 L363 T366	K99-N136 WeakPolarHBondContact CE-O 3.45Å; K99-N136 PolarHBondContact NZ-O 2.8Å; N136-S362 WeakPolarHBondContact CB-O 3.44Å; N136-S362 PolarHBondContact ND2-O 2.95Å; N136-S362 VanDerWaalsContact ND2-O 3.09Å; N136-L363 VanDerWaalsContact ND2-C 3.29Å; N136-L363 PolarHBondContact ND2-O 2.68Å; N136-T366 PolarHBondContact O-N 3.15Å; N136-T366 PolarHBondContact O-OG1 3.33Å
137	S	90.3	Very high	93.1	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	16%	0.155	C	C	.	.	S	Bend	trans	-118.1	-31.5	-172.5	-69.1	0	0	0	0	114.1	K99 D135 S362	K99-S137 WeakPolarHBondContact CB-O 3.42Å; K99-S137 PolarHBondContact N-O 3.44Å; D135-S137 VanDerWaalsContact C-N 3.27Å; D135-S137 PolarHBondContact O-N 3.29Å; D135-S137 WeakPolarHBondContact OD1-CA 3.33Å; D135-S137 PolarHBondContact OD1-N 2.49Å; S137-S362 WeakPolarHBondContact OG-CB 3.28Å; S137-S362 PolarHBondContact OG-N 3.16Å
138	Y	92.5	Very high	93.1	Very high	19 Å²	19	31.3 Å²	31.3	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.4	-168.4	-56.5	-84.8	0	0	0	113.7	I96 L97 K98 K134 D135 Y140 M359 E360 F361	I96-Y138 HydrophobicContact CG2-CD1 3.7Å; I96-Y138 HydrophobicContact CG2-CE1 4.43Å; I96-Y138 HydrophobicContact CG2-CG 4Å; L97-Y138 CarbonylContact O-C 3.5Å; L97-Y138 VanDerWaalsContact O-CA 3.22Å; L97-Y138 WeakPolarHBondContact O-CA 3.39Å; K98-Y138 HydrophobicContact CB-CD1 3.99Å; K98-Y138 HydrophobicContact CB-CE1 3.81Å; K98-Y138 HydrophobicContact CD-CE1 4.26Å; K98-Y138 HydrophobicContact CG-CD1 4.28Å; K98-Y138 HydrophobicContact CG-CE1 3.82Å; K134-Y138 WeakPolarHBondContact CA-O 2.95Å; D135-Y138 PolarHBondContact N-O 3.12Å; D135-Y138 PolarHBondContact OD1-N 3.45Å; Y138-Y140 WeakPolarHBondContact CD2-OH 3.44Å; Y138-M359 HydrophobicContact CD2-CE 4.44Å; Y138-M359 HydrophobicContact CE2-CB 4.38Å; Y138-M359 HydrophobicContact CE2-CE 4.4Å; Y138-E360 WeakPolarHBondContact CE2-O 3.21Å; Y138-E360 PolarHBondContact OH-N 2.96Å; Y138-E360 VanDerWaalsContact OH-N 3.12Å; Y138-E360 PolarHBondContact OH-O 3.12Å; Y138-F361 HydrophobicContact CD2-CD1 4.32Å; Y138-F361 HydrophobicContact CD2-CE1 4.31Å; Y138-F361 HydrophobicContact CE2-CD1 4.26Å; Y138-F361 HydrophobicContact CE2-CE1 4.43Å
139	L	92.5	Very high	93	Very high	43 Å²	43	26.7 Å²	26.7	23%	0.225	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142	161.9	-53.1	172.9	0	0	0	108.5	I96 L97 K99 T111 K134	I96-L139 WeakPolarHBondContact CA-O 3.36Å; L97-L139 HydrophobicContact CB-CB 4.3Å; L97-L139 PolarHBondContact N-O 2.86Å; L97-L139 PolarHBondContact O-N 3.09Å; K99-L139 HydrophobicContact CD-CD2 4.03Å; K99-L139 HydrophobicContact CD-CG 4.41Å; K99-L139 HydrophobicContact CG-CD2 4.05Å; K99-L139 HydrophobicContact CG-CG 3.87Å; T111-L139 HydrophobicContact CG2-CD1 3.65Å; K134-L139 HydrophobicContact CB-CD2 3.69Å; K134-L139 HydrophobicContact CD-CD2 4.44Å
140	Y	93	Very high	93.1	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.6	-178.5	-54.4	-85.8	0	0	0	110.2	I63 M94 K95 I96 S132 C133 D135 Y138 M359 F361	I63-Y140 HydrophobicContact CB-CE2 4.23Å; I63-Y140 HydrophobicContact CD1-CD1 3.55Å; I63-Y140 HydrophobicContact CD1-CD2 4.49Å; I63-Y140 HydrophobicContact CD1-CE1 3.55Å; I63-Y140 HydrophobicContact CD1-CE2 4.49Å; I63-Y140 HydrophobicContact CD1-CG 4.04Å; I63-Y140 HydrophobicContact CG1-CD1 4.24Å; I63-Y140 HydrophobicContact CG1-CE1 3.78Å; I63-Y140 HydrophobicContact CG1-CE2 4.26Å; M94-Y140 HydrophobicContact CG-CD1 4.28Å; M94-Y140 HydrophobicContact SD-CD1 3.74Å; M94-Y140 HydrophobicContact SD-CE1 4.42Å; K95-Y140 WeakPolarHBondContact O-CA 3.47Å; I96-Y140 HydrophobicContact CB-CD1 4.37Å; I96-Y140 HydrophobicContact CB-CE1 4.46Å; I96-Y140 HydrophobicContact CD1-CD1 4.48Å; I96-Y140 HydrophobicContact CD1-CE1 4.33Å; I96-Y140 HydrophobicContact CG1-CD1 3.98Å; I96-Y140 HydrophobicContact CG1-CE1 4.2Å; I96-Y140 HydrophobicContact CG2-CD1 4.02Å; I96-Y140 HydrophobicContact CG2-CE1 3.68Å; S132-Y140 CarbonylContact C-O 3.53Å; S132-Y140 WeakPolarHBondContact CA-O 3.27Å; S132-Y140 WeakPolarHBondContact CB-O 3.16Å; C133-Y140 PolarHBondContact N-O 3.33Å; C133-Y140 PolarHBondContact O-N 2.71Å; D135-Y140 HydrophobicContact CB-CE2 4.34Å; D135-Y140 VanDerWaalsContact OD2-CE2 3.23Å; D135-Y140 WeakPolarHBondContact OD2-CE2 3.49Å; D135-Y140 VanDerWaalsContact OD2-CZ 3.3Å; D135-Y140 PolarHBondContact OD2-OH 3.48Å; Y138-Y140 WeakPolarHBondContact CD2-OH 3.44Å; Y140-M359 HydrophobicContact CE1-CE 4.32Å; Y140-F361 WeakPolarHBondContact OH-CE1 3.3Å
141	L	93.1	Very high	93.3	Very high	9 Å²	9	25 Å²	25	5%	0.047	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.3	169.2	-54.8	178.3	0	0	0	107.9	M94 K95 E114 K115 L118 L129	M94-L141 CarbonylContact C-O 3.55Å; M94-L141 WeakPolarHBondContact CA-O 3.39Å; K95-L141 HydrophobicContact CB-CB 4.25Å; K95-L141 PolarHBondContact N-O 2.99Å; K95-L141 PolarHBondContact O-N 3.42Å; E114-L141 HydrophobicContact CG-CD1 4.49Å; K115-L141 HydrophobicContact CB-CD2 3.96Å; K115-L141 HydrophobicContact CG-CD2 3.71Å; L118-L141 HydrophobicContact CD1-CD1 4.37Å; L129-L141 HydrophobicContact CD1-CB 3.78Å; L129-L141 HydrophobicContact CD1-CD2 4.22Å
142	V	94.6	Very high	93.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.4	178.3	-175.5	0	0	0	0	108.1	Y66 Y92 M94 I130 T131	Y66-V142 HydrophobicContact CE1-CG1 4.01Å; Y66-V142 HydrophobicContact CE2-CG2 4.3Å; Y92-V142 HydrophobicContact CD1-CG1 4.22Å; Y92-V142 HydrophobicContact CD2-CG1 4.2Å; Y92-V142 HydrophobicContact CG-CG1 3.73Å; M94-V142 HydrophobicContact CE-CG2 3.71Å; M94-V142 HydrophobicContact CG-CG2 4.34Å; I130-V142 HydrophobicContact CB-CG1 4.41Å; I130-V142 WeakPolarHBondContact CB-O 3.44Å; I130-V142 PolarHBondContact N-O 3.43Å; T131-V142 HydrophobicContact CG2-CB 3.6Å; T131-V142 HydrophobicContact CG2-CG1 4.25Å; T131-V142 HydrophobicContact CG2-CG2 3.63Å; T131-V142 PolarHBondContact N-O 3.22Å; T131-V142 PolarHBondContact O-N 2.92Å
143	L	95.7	Very high	93.7	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	156.9	-176.4	-57.6	162.5	0	0	0	110	Y92 A93 K95 L118 V127 K128 L129 L145	Y92-L143 WeakPolarHBondContact CB-O 3.5Å; A93-L143 HydrophobicContact CB-CB 4.44Å; A93-L143 PolarHBondContact N-O 3.26Å; A93-L143 WeakPolarHBondContact O-CA 3.45Å; A93-L143 WeakPolarHBondContact O-CB 3.48Å; A93-L143 PolarHBondContact O-N 3.39Å; K95-L143 HydrophobicContact CB-CD1 4.49Å; L118-L143 HydrophobicContact CD1-CD2 4.15Å; V127-L143 HydrophobicContact CG1-CD2 4.36Å; V127-L143 HydrophobicContact CG2-CB 4.09Å; V127-L143 HydrophobicContact CG2-CD2 4.45Å; K128-L143 CarbonylContact O-C 3.54Å; K128-L143 WeakPolarHBondContact O-CA 3.37Å; L129-L143 HydrophobicContact CB-CD2 4.31Å; L129-L143 HydrophobicContact CD1-CD2 3.86Å; L143-L145 PolarHBondContact O-N 3.4Å
144	E	96	Very high	94	Very high	47 Å²	47	27.5 Å²	27.5	22%	0.22	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	141.1	165.7	70.7	-178.6	135.2	0	0	110.4	V127 K128 I130 V146 K204	V127-E144 WeakPolarHBondContact CA-OE1 3.16Å; V127-E144 HydrophobicContact CG2-CG 3.75Å; K128-E144 HydrophobicContact CB-CB 4.47Å; K128-E144 HydrophobicContact CB-CG 4.22Å; K128-E144 WeakPolarHBondContact CB-OE1 3.47Å; K128-E144 PolarHBondContact N-OE1 3.19Å; K128-E144 PolarHBondContact O-N 3Å; I130-E144 HydrophobicContact CD1-CB 4.38Å; E144-V146 HydrophobicContact CG-CG2 4.17Å; E144-K204 IonicContact OE1-NZ 3.25Å; E144-K204 PolarHBondContact OE1-NZ 2.92Å; E144-K204 IonicContact OE2-NZ 2.75Å; E144-K204 PolarHBondContact OE2-NZ 3.45Å
145	L	96.8	Very high	94.4	Very high	30 Å²	30	20.8 Å²	20.8	16%	0.157	11%	0.109	C	C	.	.			trans	-78.5	127.2	173.5	179.2	66.4	0	0	0	109.9	L72 L82 A93 L143 N147 A345 F351	L72-L145 HydrophobicContact CD1-CD1 3.82Å; L82-L145 HydrophobicContact CD1-CD1 3.99Å; L82-L145 HydrophobicContact CD1-CD2 3.59Å; L82-L145 HydrophobicContact CD1-CG 4.39Å; A93-L145 HydrophobicContact CB-CD1 4.33Å; L143-L145 PolarHBondContact O-N 3.4Å; L145-N147 HydrophobicContact CD2-CB 4.4Å; L145-N147 HydrophobicContact CG-CB 4.3Å; L145-A345 VanDerWaalsContact CD2-O 3.24Å; L145-A345 WeakPolarHBondContact CD2-O 3.26Å; L145-F351 HydrophobicContact CD1-CZ 4.48Å
146	V	96.7	Very high	94.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	11%	0.114	C	C	.	.			trans	-115.1	96.7	174.1	-174.3	0	0	0	0	108.3	E144 L196 I197 D198 K204 F351	E144-V146 HydrophobicContact CG-CG2 4.17Å; V146-L196 HydrophobicContact CB-CB 3.98Å; V146-L196 HydrophobicContact CB-CD1 3.92Å; V146-L196 HydrophobicContact CG1-CB 3.54Å; V146-L196 HydrophobicContact CG1-CD1 4.43Å; V146-L196 HydrophobicContact CG2-CD1 4.41Å; V146-I197 WeakPolarHBondContact CG1-O 3.33Å; V146-D198 HydrophobicContact CG1-CB 3.9Å; V146-K204 HydrophobicContact CG1-CB 4.16Å; V146-K204 HydrophobicContact CG1-CG 4.13Å; V146-K204 HydrophobicContact CG2-CB 3.95Å; V146-K204 HydrophobicContact CG2-CG 3.85Å; V146-F351 VanDerWaalsContact O-CZ 3.28Å; V146-F351 WeakPolarHBondContact O-CZ 3.39Å
147	N	93.1	Very high	95.1	Very high	16 Å²	16	26.3 Å²	26.3	9%	0.086	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.6	-161.8	62.3	-7.1	0	0	0	116.4	L145 G149 C342 E344 N350	L145-N147 HydrophobicContact CD2-CB 4.4Å; L145-N147 HydrophobicContact CG-CB 4.3Å; N147-G149 VanDerWaalsContact C-N 3.3Å; N147-C342 PolarHBondContact OD1-SG 3.32Å; N147-C342 VanDerWaalsContact OD1-SG 3.35Å; N147-E344 PolarHBondContact ND2-O 3Å; N147-N350 PolarHBondContact O-ND2 3.3Å
148	G	95.6	Very high	95.4	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.2	178.5	0	0	0	0	0	115.1	I197	G148-I197 CarbonylContact C-O 3.46Å; G148-I197 WeakPolarHBondContact CA-O 3.46Å; G148-I197 PolarHBondContact N-O 2.91Å
149	G	94.4	Very high	95.6	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	17%	0.17	C	C	.	.			trans	79.9	-173.3	178.7	0	0	0	0	0	114	N147 L196 I197	N147-G149 VanDerWaalsContact C-N 3.3Å; G149-L196 CarbonylContact O-C 3.49Å; G149-L196 WeakPolarHBondContact O-CA 3.48Å; G149-I197 PolarHBondContact O-N 2.94Å
150	E	95.5	Very high	95.8	Very high	47 Å²	47	41 Å²	41	22%	0.22	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-82	142.7	-178.2	-61.1	175.4	-174.5	0	0	112	F152 T153 L154 L196	E150-F152 HydrophobicContact CB-CB 4.19Å; E150-F152 PolarHBondContact O-N 3.4Å; E150-T153 PolarHBondContact O-N 3.07Å; E150-L154 PolarHBondContact O-N 2.93Å; E150-L196 HydrophobicContact CB-CD2 4.5Å; E150-L196 HydrophobicContact CG-CD2 3.8Å
151	L	97.8	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-31.4	170	-173.3	66.5	0	0	0	111.1	L154 L155 F161 Y169 P192 L195 I197 L203 M255	L151-L154 HydrophobicContact CD1-CD2 4.41Å; L151-L154 PolarHBondContact O-N 3.12Å; L151-L155 WeakPolarHBondContact O-CB 3.2Å; L151-L155 PolarHBondContact O-N 3.32Å; L151-F161 HydrophobicContact CD1-CE2 3.73Å; L151-F161 HydrophobicContact CD1-CZ 4.03Å; L151-F161 HydrophobicContact CG-CE2 4.27Å; L151-Y169 HydrophobicContact CD1-CD2 3.85Å; L151-Y169 HydrophobicContact CD1-CE2 3.75Å; L151-Y169 HydrophobicContact CD1-CG 4.35Å; L151-P192 HydrophobicContact CB-CB 4.48Å; L151-L195 HydrophobicContact CB-CB 3.97Å; L151-L195 WeakPolarHBondContact CB-O 3.5Å; L151-L195 HydrophobicContact CD2-CB 4.11Å; L151-L195 HydrophobicContact CD2-CD1 3.72Å; L151-L195 PolarHBondContact N-O 3.42Å; L151-I197 HydrophobicContact CD1-CD1 3.99Å; L151-I197 HydrophobicContact CD1-CG1 4.36Å; L151-L203 HydrophobicContact CD1-CD2 4.3Å; L151-L203 HydrophobicContact CD2-CD2 4.31Å; L151-M255 HydrophobicContact CD2-SD 3.96Å
152	F	96.4	Very high	96.3	Very high	26 Å²	26	44.6 Å²	44.6	11%	0.114	21%	0.208	C	C	.	.	H	α-helix	trans	-53.9	-53.7	173	-176.6	-98.9	0	0	0	112.3	E150 L154 L155 R156 P192 E193 Y395	E150-F152 HydrophobicContact CB-CB 4.19Å; E150-F152 PolarHBondContact O-N 3.4Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 2.95Å; F152-L155 WeakPolarHBondContact O-CB 3.48Å; F152-L155 PolarHBondContact O-N 3.29Å; F152-L155 VanDerWaalsContact O-N 3.1Å; F152-R156 HydrophobicContact CD1-CG 4.03Å; F152-R156 HydrophobicContact CE1-CG 3.7Å; F152-R156 HydrophobicContact CE2-CG 4.26Å; F152-R156 HydrophobicContact CG-CG 4.43Å; F152-R156 HydrophobicContact CZ-CG 3.84Å; F152-R156 VanDerWaalsContact CZ-NE 3.26Å; F152-R156 VanDerWaalsContact O-CG 3.31Å; F152-R156 WeakPolarHBondContact O-CG 3.24Å; F152-R156 PolarHBondContact O-N 3.15Å; F152-P192 HydrophobicContact CB-CB 3.8Å; F152-P192 HydrophobicContact CD2-CB 4.18Å; F152-P192 PolarHBondContact N-O 3.46Å; F152-E193 HydrophobicContact CB-CG 3.92Å; F152-E193 HydrophobicContact CD1-CG 4.4Å; F152-E193 HydrophobicContact CD2-CG 3.88Å; F152-E193 HydrophobicContact CE2-CG 4.48Å; F152-E193 HydrophobicContact CG-CG 3.82Å; F152-Y395 HydrophobicContact CE1-CD2 4.36Å
153	T	95.1	Very high	96.5	Very high	63 Å²	63	47.1 Å²	47.1	39%	0.387	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-42.1	-179.4	-58.8	0	0	0	0	111.4	E150 R156 R157	E150-T153 PolarHBondContact O-N 3.07Å; T153-R156 PolarHBondContact O-N 3.42Å; T153-R157 WeakPolarHBondContact O-CB 3.19Å; T153-R157 PolarHBondContact O-N 2.99Å
154	L	96.8	Very high	96.6	Very high	7 Å²	7	51 Å²	51	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175	-178.8	59.8	0	0	0	112	E150 L151 F152 R157 L158 F161 M165 I197 Y338	E150-L154 PolarHBondContact O-N 2.93Å; L151-L154 HydrophobicContact CD1-CD2 4.41Å; L151-L154 PolarHBondContact O-N 3.12Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 2.95Å; L154-R157 PolarHBondContact O-N 3.37Å; L154-L158 HydrophobicContact CD1-CD1 3.8Å; L154-L158 HydrophobicContact CD1-CG 4.08Å; L154-L158 HydrophobicContact CG-CD1 4.27Å; L154-L158 PolarHBondContact O-N 2.97Å; L154-F161 HydrophobicContact CB-CZ 4.21Å; L154-F161 HydrophobicContact CD2-CE1 4.38Å; L154-F161 HydrophobicContact CD2-CZ 4.08Å; L154-F161 HydrophobicContact CG-CE1 3.83Å; L154-F161 HydrophobicContact CG-CZ 3.78Å; L154-M165 HydrophobicContact CD2-CE 3.55Å; L154-M165 HydrophobicContact CG-CE 4.23Å; L154-I197 HydrophobicContact CB-CD1 4.22Å; L154-I197 HydrophobicContact CD2-CD1 3.54Å; L154-Y338 HydrophobicContact CD1-CD1 4.23Å; L154-Y338 HydrophobicContact CD1-CD2 4.22Å; L154-Y338 HydrophobicContact CD1-CE1 4.03Å; L154-Y338 HydrophobicContact CD1-CE2 4.04Å; L154-Y338 HydrophobicContact CD1-CG 4.3Å; L154-Y338 HydrophobicContact CD2-CD1 3.45Å; L154-Y338 VanDerWaalsContact CD2-CD1 3.45Å; L154-Y338 HydrophobicContact CD2-CE1 3.81Å; L154-Y338 HydrophobicContact CD2-CG 3.88Å; L154-Y338 HydrophobicContact CG-CD1 4.49Å
155	L	98	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43.9	178.9	-179.7	57.9	0	0	0	111.6	L151 F152 R157 L158 K159 F161 P192 E254 M255	L151-L155 WeakPolarHBondContact O-CB 3.2Å; L151-L155 PolarHBondContact O-N 3.32Å; F152-L155 WeakPolarHBondContact O-CB 3.48Å; F152-L155 PolarHBondContact O-N 3.29Å; F152-L155 VanDerWaalsContact O-N 3.1Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.97Å; L155-L158 PolarHBondContact O-N 3.27Å; L155-K159 CarbonylContact O-C 3.54Å; L155-K159 VanDerWaalsContact O-CA 3.27Å; L155-K159 WeakPolarHBondContact O-CA 3.28Å; L155-K159 PolarHBondContact O-N 2.72Å; L155-F161 VanDerWaalsContact CA-CE1 3.49Å; L155-F161 VanDerWaalsContact CA-CZ 3.45Å; L155-F161 HydrophobicContact CB-CE1 4.13Å; L155-F161 HydrophobicContact CB-CE2 4.24Å; L155-F161 HydrophobicContact CB-CZ 3.66Å; L155-F161 HydrophobicContact CD1-CD1 4.16Å; L155-F161 HydrophobicContact CD1-CD2 4.31Å; L155-F161 HydrophobicContact CD1-CE1 3.99Å; L155-F161 HydrophobicContact CD1-CE2 4.15Å; L155-F161 HydrophobicContact CD1-CG 4.31Å; L155-F161 HydrophobicContact CD1-CZ 3.99Å; L155-F161 HydrophobicContact CG-CZ 4.42Å; L155-P192 HydrophobicContact CD2-CG 4.33Å; L155-E254 HydrophobicContact CD2-CG 4.03Å; L155-M255 HydrophobicContact CD2-CG 4.41Å
156	R	96.8	Very high	96.8	Very high	74 Å²	74	47.8 Å²	47.8	28%	0.279	23%	0.23	S	C	.	.	H	α-helix	trans	-64.3	-37.3	177.6	-64.6	-67.3	159	-151.7	-11.1	112.4	F152 T153 E254 Y398	F152-R156 HydrophobicContact CD1-CG 4.03Å; F152-R156 HydrophobicContact CE1-CG 3.7Å; F152-R156 HydrophobicContact CE2-CG 4.26Å; F152-R156 HydrophobicContact CG-CG 4.43Å; F152-R156 HydrophobicContact CZ-CG 3.84Å; F152-R156 VanDerWaalsContact CZ-NE 3.26Å; F152-R156 VanDerWaalsContact O-CG 3.31Å; F152-R156 WeakPolarHBondContact O-CG 3.24Å; F152-R156 PolarHBondContact O-N 3.15Å; T153-R156 PolarHBondContact O-N 3.42Å; R156-E254 IonicContact CZ-OE1 3.04Å; R156-E254 IonicContact NH2-OE1 3.24Å; R156-E254 PolarHBondContact NH2-OE1 3.3Å; R156-Y398 PolarHBondContact NH1-OH 2.73Å; R156-Y398 PolarHBondContact NH2-OH 3.16Å
157	R	95.9	Very high	96.9	Very high	143 Å²	143	49.5 Å²	49.5	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-48.2	176.1	-174	176.9	69.8	-169.9	1.8	111.8	T153 L154 L155 K159 Y338	T153-R157 WeakPolarHBondContact O-CB 3.19Å; T153-R157 PolarHBondContact O-N 2.99Å; L154-R157 PolarHBondContact O-N 3.37Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.97Å; R157-K159 VanDerWaalsContact C-N 3.34Å; R157-Y338 VanDerWaalsContact NH2-CZ 3.28Å; R157-Y338 PolarHBondContact NH2-OH 2.87Å
158	L	96.9	Very high	97.2	Very high	78 Å²	78	49.7 Å²	49.7	41%	0.408	24%	0.237	S	C	.	.	H	α-helix	trans	-84	-8.1	-177.9	-62.3	-175.3	0	0	0	113.9	L154 L155 R160 F161 M165	L154-L158 HydrophobicContact CD1-CD1 3.8Å; L154-L158 HydrophobicContact CD1-CG 4.08Å; L154-L158 HydrophobicContact CG-CD1 4.27Å; L154-L158 PolarHBondContact O-N 2.97Å; L155-L158 PolarHBondContact O-N 3.27Å; L158-R160 PolarHBondContact O-N 2.83Å; L158-F161 HydrophobicContact CB-CD1 4.11Å; L158-F161 HydrophobicContact CB-CE1 4.03Å; L158-F161 HydrophobicContact CD1-CD1 3.92Å; L158-F161 HydrophobicContact CD1-CE1 3.82Å; L158-F161 HydrophobicContact CG-CE1 4.33Å; L158-M165 HydrophobicContact CD1-CE 4.13Å; L158-M165 HydrophobicContact CD1-SD 4.46Å
159	K	97.5	Very high	97.3	Very high	156 Å²	156	49.5 Å²	49.5	68%	0.678	24%	0.235	S	C	*	.	S	Bend	trans	66.1	-44.1	-173.6	-53.8	-61.6	178.9	-169.6	0	114.3	L155 R157 G258	L155-K159 CarbonylContact O-C 3.54Å; L155-K159 VanDerWaalsContact O-CA 3.27Å; L155-K159 WeakPolarHBondContact O-CA 3.28Å; L155-K159 PolarHBondContact O-N 2.72Å; R157-K159 VanDerWaalsContact C-N 3.34Å; K159-G258 WeakPolarHBondContact O-CA 3.47Å
160	R	97.1	Very high	97.5	Very high	140 Å²	140	49.4 Å²	49.4	53%	0.528	23%	0.234	S	C	.	.	S	Bend	trans	-154.7	158.5	173	59	179.1	179.2	165.5	0.1	109.1	L158 M255	L158-R160 PolarHBondContact O-N 2.83Å; R160-M255 WeakPolarHBondContact CA-O 3.42Å
161	F	98.4	Very high	97.7	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	22%	0.224	C	C	.	.			trans	-99.8	149.4	178.3	-63.3	-21.7	0	0	0	111.6	L151 L154 L155 L158 M165 V166 Y169 M255	L151-F161 HydrophobicContact CD1-CE2 3.73Å; L151-F161 HydrophobicContact CD1-CZ 4.03Å; L151-F161 HydrophobicContact CG-CE2 4.27Å; L154-F161 HydrophobicContact CB-CZ 4.21Å; L154-F161 HydrophobicContact CD2-CE1 4.38Å; L154-F161 HydrophobicContact CD2-CZ 4.08Å; L154-F161 HydrophobicContact CG-CE1 3.83Å; L154-F161 HydrophobicContact CG-CZ 3.78Å; L155-F161 VanDerWaalsContact CA-CE1 3.49Å; L155-F161 VanDerWaalsContact CA-CZ 3.45Å; L155-F161 HydrophobicContact CB-CE1 4.13Å; L155-F161 HydrophobicContact CB-CE2 4.24Å; L155-F161 HydrophobicContact CB-CZ 3.66Å; L155-F161 HydrophobicContact CD1-CD1 4.16Å; L155-F161 HydrophobicContact CD1-CD2 4.31Å; L155-F161 HydrophobicContact CD1-CE1 3.99Å; L155-F161 HydrophobicContact CD1-CE2 4.15Å; L155-F161 HydrophobicContact CD1-CG 4.31Å; L155-F161 HydrophobicContact CD1-CZ 3.99Å; L155-F161 HydrophobicContact CG-CZ 4.42Å; L158-F161 HydrophobicContact CB-CD1 4.11Å; L158-F161 HydrophobicContact CB-CE1 4.03Å; L158-F161 HydrophobicContact CD1-CD1 3.92Å; L158-F161 HydrophobicContact CD1-CE1 3.82Å; L158-F161 HydrophobicContact CG-CE1 4.33Å; F161-M165 HydrophobicContact CB-CB 4.28Å; F161-M165 HydrophobicContact CB-CG 4.12Å; F161-M165 HydrophobicContact CB-SD 4.06Å; F161-M165 HydrophobicContact CD1-CE 3.92Å; F161-M165 HydrophobicContact CD1-SD 3.89Å; F161-M165 HydrophobicContact CD2-CE 4.4Å; F161-M165 HydrophobicContact CD2-CG 4.29Å; F161-M165 HydrophobicContact CD2-SD 4.44Å; F161-M165 HydrophobicContact CE1-CE 3.91Å; F161-M165 HydrophobicContact CE1-SD 4.48Å; F161-M165 HydrophobicContact CE2-CE 4.4Å; F161-M165 HydrophobicContact CG-CE 4.18Å; F161-M165 HydrophobicContact CG-CG 4.14Å; F161-M165 HydrophobicContact CG-SD 3.87Å; F161-M165 HydrophobicContact CZ-CE 4.15Å; F161-V166 HydrophobicContact CB-CG2 3.56Å; F161-V166 HydrophobicContact CD2-CG2 4.46Å; F161-Y169 HydrophobicContact CD2-CD2 4.33Å; F161-Y169 HydrophobicContact CE2-CD2 4.25Å; F161-Y169 HydrophobicContact CE2-CE2 4.27Å; F161-M255 HydrophobicContact CD2-CB 3.88Å; F161-M255 HydrophobicContact CD2-CG 3.89Å; F161-M255 HydrophobicContact CD2-SD 3.88Å; F161-M255 HydrophobicContact CE2-CB 4.48Å; F161-M255 HydrophobicContact CE2-CG 4.02Å; F161-M255 HydrophobicContact CE2-SD 3.97Å; F161-M255 PolarHBondContact N-O 3.36Å
162	P	97.8	Very high	97.7	Very high	81 Å²	81	47.2 Å²	47.2	53%	0.526	22%	0.224	S	C	.	.			trans	-67.1	150.1	168	30.1	-34.2	0	0	0	110.3	P164 M165 V166	P162-P164 VanDerWaalsContact C-CD 3.49Å; P162-M165 HydrophobicContact CG-CB 3.84Å; P162-M165 HydrophobicContact CG-SD 4.39Å; P162-M165 WeakPolarHBondContact O-CA 3.43Å; P162-M165 WeakPolarHBondContact O-CB 3.29Å; P162-M165 PolarHBondContact O-N 3.15Å; P162-V166 PolarHBondContact O-N 3.4Å; P162-V166 VanDerWaalsContact O-N 3.14Å
163	E	98.1	Very high	97.8	Very high	54 Å²	54	46 Å²	46	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-53.1	-42.4	-172.8	-163.9	169.5	153.1	0	0	114.7	M165 V166 Q167 M256 S286 W320	E163-M165 VanDerWaalsContact C-N 3.3Å; E163-M165 PolarHBondContact O-N 2.87Å; E163-V166 PolarHBondContact O-N 3.06Å; E163-Q167 WeakPolarHBondContact O-CB 3.4Å; E163-Q167 PolarHBondContact O-N 3.5Å; E163-M256 HydrophobicContact CB-CE 3.99Å; E163-M256 HydrophobicContact CB-SD 3.98Å; E163-M256 HydrophobicContact CG-CE 4.18Å; E163-M256 HydrophobicContact CG-SD 4.15Å; E163-S286 WeakPolarHBondContact OE1-CB 3.39Å; E163-S286 PolarHBondContact OE1-OG 3.19Å; E163-S286 WeakPolarHBondContact OE2-CB 3.47Å; E163-S286 PolarHBondContact OE2-OG 3.37Å; E163-W320 HydrophobicContact CG-CZ2 3.85Å; E163-W320 PolarHBondContact OE1-NE1 3.19Å
164	P	97.9	Very high	98	Very high	90 Å²	90	43 Å²	43	58%	0.584	20%	0.201	S	C	*	.	H	α-helix	trans	-62.1	-34.3	175.7	-24	35.6	0	0	0	113.8	P162 Q167 F168	P162-P164 VanDerWaalsContact C-CD 3.49Å; P164-Q167 PolarHBondContact O-N 3.43Å; P164-F168 WeakPolarHBondContact O-CB 3.47Å; P164-F168 PolarHBondContact O-N 3.49Å
165	M	98.5	Very high	98	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.054	20%	0.199	C	C	.	.	H	α-helix	trans	-70	-40.4	177.2	179	172.8	-173.6	0	0	111	L154 L158 F161 P162 E163 F168 Y169 P337	L154-M165 HydrophobicContact CD2-CE 3.55Å; L154-M165 HydrophobicContact CG-CE 4.23Å; L158-M165 HydrophobicContact CD1-CE 4.13Å; L158-M165 HydrophobicContact CD1-SD 4.46Å; F161-M165 HydrophobicContact CB-CB 4.28Å; F161-M165 HydrophobicContact CB-CG 4.12Å; F161-M165 HydrophobicContact CB-SD 4.06Å; F161-M165 HydrophobicContact CD1-CE 3.92Å; F161-M165 HydrophobicContact CD1-SD 3.89Å; F161-M165 HydrophobicContact CD2-CE 4.4Å; F161-M165 HydrophobicContact CD2-CG 4.29Å; F161-M165 HydrophobicContact CD2-SD 4.44Å; F161-M165 HydrophobicContact CE1-CE 3.91Å; F161-M165 HydrophobicContact CE1-SD 4.48Å; F161-M165 HydrophobicContact CE2-CE 4.4Å; F161-M165 HydrophobicContact CG-CE 4.18Å; F161-M165 HydrophobicContact CG-CG 4.14Å; F161-M165 HydrophobicContact CG-SD 3.87Å; F161-M165 HydrophobicContact CZ-CE 4.15Å; P162-M165 HydrophobicContact CG-CB 3.84Å; P162-M165 HydrophobicContact CG-SD 4.39Å; P162-M165 WeakPolarHBondContact O-CA 3.43Å; P162-M165 WeakPolarHBondContact O-CB 3.29Å; P162-M165 PolarHBondContact O-N 3.15Å; E163-M165 VanDerWaalsContact C-N 3.3Å; E163-M165 PolarHBondContact O-N 2.87Å; M165-F168 PolarHBondContact O-N 3.07Å; M165-Y169 HydrophobicContact CE-CE2 3.56Å; M165-Y169 HydrophobicContact CG-CD2 3.99Å; M165-Y169 HydrophobicContact CG-CE2 3.62Å; M165-Y169 VanDerWaalsContact O-CD2 3.31Å; M165-Y169 WeakPolarHBondContact O-CD2 3.27Å; M165-Y169 PolarHBondContact O-N 2.89Å; M165-Y169 HydrophobicContact SD-CE2 4.44Å; M165-P337 HydrophobicContact CB-CB 3.99Å; M165-P337 HydrophobicContact CB-CG 4.06Å; M165-P337 HydrophobicContact CG-CB 3.98Å; M165-P337 HydrophobicContact CG-CG 3.72Å
166	V	98.7	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-46.5	173.5	-177.2	0	0	0	0	110.7	F161 P162 E163 F168 Y169 S170 I252 M255 M256 W320	F161-V166 HydrophobicContact CB-CG2 3.56Å; F161-V166 HydrophobicContact CD2-CG2 4.46Å; P162-V166 PolarHBondContact O-N 3.4Å; P162-V166 VanDerWaalsContact O-N 3.14Å; E163-V166 PolarHBondContact O-N 3.06Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.34Å; V166-Y169 PolarHBondContact O-N 3.27Å; V166-S170 WeakPolarHBondContact O-CB 3.47Å; V166-S170 PolarHBondContact O-N 2.99Å; V166-S170 PolarHBondContact O-OG 3.4Å; V166-S170 VanDerWaalsContact O-OG 3.08Å; V166-I252 HydrophobicContact CG1-CB 4.46Å; V166-I252 HydrophobicContact CG1-CG2 3.99Å; V166-M255 HydrophobicContact CB-CB 4.45Å; V166-M255 HydrophobicContact CG1-CB 3.99Å; V166-M255 HydrophobicContact CG1-CE 3.71Å; V166-M255 HydrophobicContact CG2-CB 3.74Å; V166-M256 HydrophobicContact CB-CG 4.17Å; V166-M256 HydrophobicContact CB-SD 3.96Å; V166-M256 HydrophobicContact CG1-CG 3.92Å; V166-M256 HydrophobicContact CG1-SD 4.37Å; V166-M256 HydrophobicContact CG2-CG 3.8Å; V166-M256 HydrophobicContact CG2-SD 3.47Å; V166-M256 WeakPolarHBondContact CG2-SD 3.46Å; V166-W320 HydrophobicContact CB-CH2 4.34Å; V166-W320 HydrophobicContact CG1-CH2 3.94Å; V166-W320 HydrophobicContact CG1-CZ2 4.4Å
167	Q	98.6	Very high	98.1	Very high	41 Å²	41	39.1 Å²	39.1	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-42.5	178.8	-166.7	-166.3	42.2	0	0	111.8	E163 P164 S170 A171 W320 Y321 V324	E163-Q167 WeakPolarHBondContact O-CB 3.4Å; E163-Q167 PolarHBondContact O-N 3.5Å; P164-Q167 PolarHBondContact O-N 3.43Å; Q167-S170 PolarHBondContact O-OG 2.94Å; Q167-A171 WeakPolarHBondContact O-CB 3.29Å; Q167-A171 PolarHBondContact O-N 3.32Å; Q167-W320 VanDerWaalsContact CA-CH2 3.48Å; Q167-W320 HydrophobicContact CB-CH2 3.78Å; Q167-W320 HydrophobicContact CB-CZ2 4.17Å; Q167-W320 HydrophobicContact CB-CZ3 4.07Å; Q167-W320 HydrophobicContact CG-CE3 4.29Å; Q167-W320 HydrophobicContact CG-CH2 4.2Å; Q167-W320 HydrophobicContact CG-CZ3 3.99Å; Q167-W320 PolarHBondContact NE2-O 2.99Å; Q167-Y321 HydrophobicContact CG-CD1 3.84Å; Q167-Y321 HydrophobicContact CG-CE1 4.13Å; Q167-V324 HydrophobicContact CG-CG2 3.82Å
168	F	98.7	Very high	98.1	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.088	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-46.1	177.4	175.9	-98.6	0	0	0	112.6	P164 M165 V166 Q172 Y202 L329 L334 A336 P337	P164-F168 WeakPolarHBondContact O-CB 3.47Å; P164-F168 PolarHBondContact O-N 3.49Å; M165-F168 PolarHBondContact O-N 3.07Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.34Å; F168-Q172 PolarHBondContact O-NE2 3.3Å; F168-Y202 HydrophobicContact CE2-CE1 4.14Å; F168-Y202 HydrophobicContact CZ-CD1 4.06Å; F168-Y202 HydrophobicContact CZ-CD2 4.26Å; F168-Y202 AromaticContact CZ-CE1 3.82Å; F168-Y202 HydrophobicContact CZ-CE1 3.82Å; F168-Y202 HydrophobicContact CZ-CE2 4.01Å; F168-Y202 HydrophobicContact CZ-CG 4.29Å; F168-Y202 AromaticContact CZ-CZ 3.79Å; F168-L329 HydrophobicContact CD2-CD1 3.95Å; F168-L329 HydrophobicContact CE2-CD1 3.69Å; F168-L329 HydrophobicContact CZ-CD1 4.41Å; F168-L334 HydrophobicContact CE2-CB 4.15Å; F168-A336 HydrophobicContact CE1-CB 4Å; F168-A336 HydrophobicContact CZ-CB 3.88Å; F168-P337 HydrophobicContact CB-CG 4.22Å; F168-P337 HydrophobicContact CD1-CG 3.7Å; F168-P337 VanDerWaalsContact CE1-CD 3.43Å; F168-P337 HydrophobicContact CE1-CG 4.32Å; F168-P337 HydrophobicContact CG-CG 4.1Å
169	Y	98.9	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-73.3	-43.9	-180	-71.4	-40.7	0	0	0	112.7	L151 F161 M165 V166 A171 Q172 V173 L203 M255	L151-Y169 HydrophobicContact CD1-CD2 3.85Å; L151-Y169 HydrophobicContact CD1-CE2 3.75Å; L151-Y169 HydrophobicContact CD1-CG 4.35Å; F161-Y169 HydrophobicContact CD2-CD2 4.33Å; F161-Y169 HydrophobicContact CE2-CD2 4.25Å; F161-Y169 HydrophobicContact CE2-CE2 4.27Å; M165-Y169 HydrophobicContact CE-CE2 3.56Å; M165-Y169 HydrophobicContact CG-CD2 3.99Å; M165-Y169 HydrophobicContact CG-CE2 3.62Å; M165-Y169 VanDerWaalsContact O-CD2 3.31Å; M165-Y169 WeakPolarHBondContact O-CD2 3.27Å; M165-Y169 PolarHBondContact O-N 2.89Å; M165-Y169 HydrophobicContact SD-CE2 4.44Å; V166-Y169 PolarHBondContact O-N 3.27Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.48Å; Y169-Q172 WeakPolarHBondContact O-CB 3.28Å; Y169-Q172 PolarHBondContact O-N 2.84Å; Y169-Q172 VanDerWaalsContact O-N 3.15Å; Y169-V173 PolarHBondContact O-N 3.2Å; Y169-L203 HydrophobicContact CD1-CD1 3.83Å; Y169-L203 HydrophobicContact CD1-CD2 3.84Å; Y169-L203 HydrophobicContact CD1-CG 3.62Å; Y169-L203 HydrophobicContact CE1-CD2 4.07Å; Y169-L203 HydrophobicContact CE1-CG 4.21Å; Y169-L203 HydrophobicContact CG-CD1 4.15Å; Y169-L203 HydrophobicContact CG-CG 4.4Å; Y169-M255 HydrophobicContact CD2-SD 4.42Å
170	S	98.8	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-33.8	179	72.5	0	0	0	0	111.9	V166 Q167 Q172 V173 V174 W320 Y321	V166-S170 WeakPolarHBondContact O-CB 3.47Å; V166-S170 PolarHBondContact O-N 2.99Å; V166-S170 PolarHBondContact O-OG 3.4Å; V166-S170 VanDerWaalsContact O-OG 3.08Å; Q167-S170 PolarHBondContact O-OG 2.94Å; S170-Q172 VanDerWaalsContact C-N 3.28Å; S170-Q172 PolarHBondContact O-N 3.34Å; S170-V173 PolarHBondContact O-N 2.77Å; S170-V174 VanDerWaalsContact O-CG2 3.29Å; S170-V174 WeakPolarHBondContact O-CG2 3.31Å; S170-V174 PolarHBondContact O-N 3.34Å; S170-W320 WeakPolarHBondContact OG-CZ3 3.16Å; S170-Y321 WeakPolarHBondContact CB-OH 3.49Å; S170-Y321 WeakPolarHBondContact OG-CE1 3.34Å; S170-Y321 PolarHBondContact OG-OH 3.3Å
171	A	98.7	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-35.2	173.9	0	0	0	0	0	112.4	Q167 Y169 V174 L175 Y321 V324 W326 L329	Q167-A171 WeakPolarHBondContact O-CB 3.29Å; Q167-A171 PolarHBondContact O-N 3.32Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.48Å; A171-V174 PolarHBondContact O-N 3.11Å; A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 3.24Å; A171-Y321 HydrophobicContact CB-CD1 4.35Å; A171-Y321 HydrophobicContact CB-CE1 3.96Å; A171-V324 HydrophobicContact CB-CG1 4.11Å; A171-W326 HydrophobicContact CB-CE3 4.49Å; A171-W326 HydrophobicContact CB-CH2 3.99Å; A171-W326 HydrophobicContact CB-CZ3 3.72Å; A171-L329 HydrophobicContact CB-CD2 3.4Å
172	Q	98.8	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-68.5	-40.7	174.4	-67.6	166.9	71.6	0	0	111.7	F125 F168 Y169 S170 V174 L175 A176 Y202 L203 L329	F125-Q172 HydrophobicContact CD1-CB 4.28Å; F125-Q172 HydrophobicContact CD1-CG 4.15Å; F125-Q172 HydrophobicContact CD2-CB 4.23Å; F125-Q172 HydrophobicContact CE1-CG 3.96Å; F125-Q172 HydrophobicContact CE2-CB 4.45Å; F125-Q172 HydrophobicContact CE2-CG 4.38Å; F125-Q172 HydrophobicContact CG-CB 4.15Å; F125-Q172 HydrophobicContact CG-CG 4.47Å; F125-Q172 HydrophobicContact CZ-CG 4.07Å; F168-Q172 PolarHBondContact O-NE2 3.3Å; Y169-Q172 WeakPolarHBondContact O-CB 3.28Å; Y169-Q172 PolarHBondContact O-N 2.84Å; Y169-Q172 VanDerWaalsContact O-N 3.15Å; S170-Q172 VanDerWaalsContact C-N 3.28Å; S170-Q172 PolarHBondContact O-N 3.34Å; Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 2.98Å; Q172-L175 PolarHBondContact O-N 2.84Å; Q172-A176 VanDerWaalsContact O-CB 3.28Å; Q172-A176 WeakPolarHBondContact O-CB 3.32Å; Q172-A176 PolarHBondContact O-N 3.3Å; Q172-Y202 HydrophobicContact CG-CD1 4.42Å; Q172-Y202 VanDerWaalsContact OE1-CD1 3.23Å; Q172-L203 HydrophobicContact CB-CD1 4.45Å; Q172-L329 HydrophobicContact CG-CD1 3.84Å; Q172-L329 HydrophobicContact CG-CD2 4.09Å; Q172-L329 HydrophobicContact CG-CG 4.11Å
173	V	98.8	Very high	97.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-41.7	173.7	176.6	0	0	0	0	110.8	Y169 S170 L175 A176 F177 L190 L195 L203 T248 L251	Y169-V173 PolarHBondContact O-N 3.2Å; S170-V173 PolarHBondContact O-N 2.77Å; V173-L175 PolarHBondContact O-N 3.29Å; V173-A176 WeakPolarHBondContact O-CB 3.44Å; V173-A176 PolarHBondContact O-N 3.47Å; V173-F177 HydrophobicContact CG1-CD2 4Å; V173-F177 HydrophobicContact CG1-CE2 3.81Å; V173-F177 HydrophobicContact CG1-CG 4.45Å; V173-F177 HydrophobicContact CG1-CZ 4.1Å; V173-F177 WeakPolarHBondContact O-CB 3.46Å; V173-F177 PolarHBondContact O-N 3.39Å; V173-L190 HydrophobicContact CG1-CD1 4.14Å; V173-L190 HydrophobicContact CG1-CD2 3.89Å; V173-L195 HydrophobicContact CG2-CD1 4.07Å; V173-L195 HydrophobicContact CG2-CD2 4.24Å; V173-L203 HydrophobicContact CG2-CD1 4.19Å; V173-T248 HydrophobicContact CG1-CG2 4.38Å; V173-L251 HydrophobicContact CG2-CD2 3.95Å
174	V	98.5	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-47.7	175.5	170	0	0	0	0	111.3	S170 A171 Q172 F177 E178 W245 T248 I312 I315 K316 W326	S170-V174 VanDerWaalsContact O-CG2 3.29Å; S170-V174 WeakPolarHBondContact O-CG2 3.31Å; S170-V174 PolarHBondContact O-N 3.34Å; A171-V174 PolarHBondContact O-N 3.11Å; Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 2.98Å; V174-F177 PolarHBondContact O-N 3.47Å; V174-E178 WeakPolarHBondContact O-CB 3.46Å; V174-E178 PolarHBondContact O-N 3.39Å; V174-W245 HydrophobicContact CG2-CZ3 4.26Å; V174-T248 HydrophobicContact CG2-CG2 4.45Å; V174-I312 HydrophobicContact CG1-CD1 3.7Å; V174-I315 HydrophobicContact CG1-CG2 4.08Å; V174-I315 HydrophobicContact CG2-CG2 3.78Å; V174-K316 HydrophobicContact CG1-CD 4.43Å; V174-K316 HydrophobicContact CG1-CG 3.86Å; V174-W326 HydrophobicContact CB-CH2 4.33Å; V174-W326 HydrophobicContact CB-CZ3 4.14Å; V174-W326 HydrophobicContact CG1-CH2 3.97Å; V174-W326 HydrophobicContact CG1-CZ3 3.89Å
175	L	97.5	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-39.5	176.6	-68.1	-176.7	0	0	0	112.5	F37 Y123 F125 A171 Q172 V173 F177 E178 Y179 W326 L329 F330	F37-L175 HydrophobicContact CE1-CD2 4.26Å; F37-L175 HydrophobicContact CE2-CD2 4.06Å; F37-L175 HydrophobicContact CZ-CD2 3.6Å; Y123-L175 HydrophobicContact CE1-CB 4.42Å; F125-L175 HydrophobicContact CD2-CB 4.07Å; F125-L175 HydrophobicContact CE2-CB 3.83Å; F125-L175 HydrophobicContact CE2-CD1 3.71Å; F125-L175 HydrophobicContact CE2-CG 4.4Å; F125-L175 HydrophobicContact CZ-CD1 4.36Å; A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 3.24Å; Q172-L175 PolarHBondContact O-N 2.84Å; V173-L175 PolarHBondContact O-N 3.29Å; L175-F177 PolarHBondContact O-N 2.92Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.49Å; L175-E178 PolarHBondContact O-N 2.86Å; L175-Y179 PolarHBondContact O-N 3.34Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; L175-W326 HydrophobicContact CD1-CE3 4.2Å; L175-W326 HydrophobicContact CD2-CE3 3.67Å; L175-W326 HydrophobicContact CD2-CZ3 4.22Å; L175-W326 HydrophobicContact CG-CE3 3.84Å; L175-W326 HydrophobicContact CG-CZ3 4.15Å; L175-L329 HydrophobicContact CD1-CB 4.41Å; L175-L329 HydrophobicContact CD1-CD2 3.91Å; L175-L329 HydrophobicContact CD1-CG 4.21Å; L175-F330 HydrophobicContact CD1-CB 4.15Å
176	A	98.1	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.2	-45	176.4	0	0	0	0	0	111.4	F125 M126 Q172 V173 Y179 L180 V205	F125-A176 HydrophobicContact CB-CB 4.3Å; M126-A176 HydrophobicContact CE-CB 3.5Å; M126-A176 WeakPolarHBondContact CE-O 3.35Å; M126-A176 HydrophobicContact SD-CB 4.33Å; Q172-A176 VanDerWaalsContact O-CB 3.28Å; Q172-A176 WeakPolarHBondContact O-CB 3.32Å; Q172-A176 PolarHBondContact O-N 3.3Å; V173-A176 WeakPolarHBondContact O-CB 3.44Å; V173-A176 PolarHBondContact O-N 3.47Å; A176-Y179 PolarHBondContact O-N 3.3Å; A176-L180 WeakPolarHBondContact O-CG 3.5Å; A176-L180 PolarHBondContact O-N 3.39Å; A176-V205 HydrophobicContact CB-CG2 4.13Å
177	F	98.2	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-75.6	-35.5	179	-72.5	-4.3	0	0	0	113.2	V173 V174 L175 Y179 L180 H181 Y187 L190 D244 W245 T248	V173-F177 HydrophobicContact CG1-CD2 4Å; V173-F177 HydrophobicContact CG1-CE2 3.81Å; V173-F177 HydrophobicContact CG1-CG 4.45Å; V173-F177 HydrophobicContact CG1-CZ 4.1Å; V173-F177 WeakPolarHBondContact O-CB 3.46Å; V173-F177 PolarHBondContact O-N 3.39Å; V174-F177 PolarHBondContact O-N 3.47Å; L175-F177 PolarHBondContact O-N 2.92Å; F177-Y179 PolarHBondContact O-N 3.16Å; F177-L180 HydrophobicContact CD1-CD1 4.08Å; F177-L180 HydrophobicContact CE1-CD1 4.35Å; F177-L180 PolarHBondContact O-N 3.43Å; F177-H181 WeakPolarHBondContact O-CB 3.22Å; F177-H181 PolarHBondContact O-CD2 3.14Å; F177-H181 PolarHBondContact O-N 3.29Å; F177-Y187 AromaticContact CE1-CD1 3.9Å; F177-Y187 HydrophobicContact CE1-CD1 3.9Å; F177-Y187 HydrophobicContact CE1-CG 4.02Å; F177-Y187 AromaticContact CZ-CD1 3.9Å; F177-Y187 HydrophobicContact CZ-CD1 3.9Å; F177-Y187 HydrophobicContact CZ-CG 4.4Å; F177-L190 HydrophobicContact CE2-CD2 3.72Å; F177-L190 HydrophobicContact CE2-CG 4.5Å; F177-L190 HydrophobicContact CZ-CB 4.02Å; F177-L190 HydrophobicContact CZ-CD1 3.97Å; F177-L190 HydrophobicContact CZ-CD2 3.88Å; F177-L190 HydrophobicContact CZ-CG 4.17Å; F177-D244 HydrophobicContact CD2-CB 3.72Å; F177-D244 HydrophobicContact CE2-CB 3.59Å; F177-D244 WeakPolarHBondContact CE2-O 3.35Å; F177-D244 HydrophobicContact CG-CB 4.39Å; F177-D244 HydrophobicContact CZ-CB 4.19Å; F177-W245 HydrophobicContact CB-CH2 3.49Å; F177-W245 VanDerWaalsContact CB-CH2 3.49Å; F177-W245 HydrophobicContact CB-CZ2 4.04Å; F177-W245 HydrophobicContact CB-CZ3 3.91Å; F177-W245 HydrophobicContact CD2-CE3 4.41Å; F177-W245 HydrophobicContact CD2-CZ3 4.16Å; F177-T248 WeakPolarHBondContact CE2-OG1 3.42Å
178	E	96.7	Very high	97.5	Very high	21 Å²	21	8.7 Å²	8.7	10%	0.098	5%	0.046	C	C	.	.	H	α-helix	trans	-52.3	-44.9	168.8	-176.7	175	-157.3	0	0	110.4	F37 L41 V174 L175 S182 I312 K316	F37-E178 VanDerWaalsContact CE1-OE2 3.27Å; F37-E178 WeakPolarHBondContact CE1-OE2 3.46Å; L41-E178 HydrophobicContact CD2-CG 4.06Å; V174-E178 WeakPolarHBondContact O-CB 3.46Å; V174-E178 PolarHBondContact O-N 3.39Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.49Å; L175-E178 PolarHBondContact O-N 2.86Å; E178-S182 WeakPolarHBondContact O-CB 3.2Å; E178-S182 PolarHBondContact O-N 2.58Å; E178-I312 HydrophobicContact CB-CD1 4.38Å; E178-I312 HydrophobicContact CB-CG1 4.13Å; E178-I312 HydrophobicContact CG-CG1 4.04Å; E178-I312 HydrophobicContact CG-CG2 4.44Å; E178-K316 IonicContact OE1-NZ 3.63Å; E178-K316 PolarHBondContact OE1-NZ 3.19Å; E178-K316 IonicContact OE2-NZ 3.48Å; E178-K316 PolarHBondContact OE2-NZ 3.49Å
179	Y	96.9	Very high	97.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.2	-55.2	174.5	174.7	-119.3	0	0	0	113.3	L41 E44 L121 Y123 M126 L175 A176 F177 H181 S182 V183	L41-Y179 HydrophobicContact CD1-CD2 4Å; E44-Y179 HydrophobicContact CB-CD2 4.23Å; E44-Y179 HydrophobicContact CB-CE2 3.73Å; L121-Y179 HydrophobicContact CD2-CD1 4.29Å; L121-Y179 HydrophobicContact CD2-CE1 3.48Å; L121-Y179 VanDerWaalsContact CD2-CE1 3.48Å; Y123-Y179 HydrophobicContact CD1-CD1 4.2Å; Y123-Y179 HydrophobicContact CD1-CG 4.38Å; Y123-Y179 AromaticContact CD2-CD1 3.7Å; Y123-Y179 HydrophobicContact CD2-CD1 3.7Å; Y123-Y179 AromaticContact CD2-CD2 3.81Å; Y123-Y179 HydrophobicContact CD2-CD2 3.81Å; Y123-Y179 HydrophobicContact CD2-CE1 4.12Å; Y123-Y179 HydrophobicContact CD2-CE2 4.24Å; Y123-Y179 AromaticContact CD2-CG 3.5Å; Y123-Y179 HydrophobicContact CD2-CG 3.5Å; Y123-Y179 HydrophobicContact CE2-CD1 4.43Å; Y123-Y179 HydrophobicContact CE2-CD2 4.07Å; Y123-Y179 AromaticContact CE2-CG 3.83Å; Y123-Y179 HydrophobicContact CE2-CG 3.83Å; Y123-Y179 AromaticContact CG-CD1 3.56Å; Y123-Y179 HydrophobicContact CG-CD1 3.56Å; Y123-Y179 HydrophobicContact CG-CE1 4.05Å; Y123-Y179 AromaticContact CG-CG 3.81Å; Y123-Y179 HydrophobicContact CG-CG 3.81Å; M126-Y179 HydrophobicContact CE-CD1 4.34Å; L175-Y179 PolarHBondContact O-N 3.34Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; A176-Y179 PolarHBondContact O-N 3.3Å; F177-Y179 PolarHBondContact O-N 3.16Å; Y179-H181 VanDerWaalsContact C-N 3.28Å; Y179-H181 PolarHBondContact O-N 3.1Å; Y179-S182 WeakPolarHBondContact O-CB 3.49Å; Y179-S182 PolarHBondContact O-N 2.96Å; Y179-S182 VanDerWaalsContact O-N 3.11Å; Y179-S182 PolarHBondContact O-OG 3.24Å; Y179-V183 PolarHBondContact O-N 2.93Å
180	L	97.3	Very high	97.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-57.1	-43.8	-179.2	-67.6	179.8	0	0	0	112.2	L121 M126 A176 F177 S182 V183 D184 I185 Y187 F208	L121-L180 HydrophobicContact CD1-CD2 4.02Å; L121-L180 HydrophobicContact CD2-CD2 3.51Å; L121-L180 HydrophobicContact CG-CD2 4.45Å; M126-L180 HydrophobicContact CE-CD1 3.69Å; M126-L180 HydrophobicContact CE-CD2 3.76Å; M126-L180 HydrophobicContact CE-CG 3.44Å; M126-L180 VanDerWaalsContact CE-CG 3.44Å; A176-L180 WeakPolarHBondContact O-CG 3.5Å; A176-L180 PolarHBondContact O-N 3.39Å; F177-L180 HydrophobicContact CD1-CD1 4.08Å; F177-L180 HydrophobicContact CE1-CD1 4.35Å; F177-L180 PolarHBondContact O-N 3.43Å; L180-S182 VanDerWaalsContact C-N 3.29Å; L180-S182 PolarHBondContact O-N 3.22Å; L180-V183 CarbonylContact O-C 3.59Å; L180-V183 WeakPolarHBondContact O-CG2 3.44Å; L180-V183 PolarHBondContact O-N 2.76Å; L180-V183 VanDerWaalsContact O-N 3.13Å; L180-D184 PolarHBondContact O-N 3.43Å; L180-I185 CarbonylContact C-O 3.57Å; L180-I185 HydrophobicContact CB-CB 4.18Å; L180-I185 HydrophobicContact CB-CG2 4.31Å; L180-I185 HydrophobicContact CD2-CB 4.34Å; L180-I185 HydrophobicContact CD2-CD1 4.47Å; L180-I185 HydrophobicContact CD2-CG2 4.11Å; L180-I185 PolarHBondContact O-N 3.15Å; L180-Y187 HydrophobicContact CD1-CD2 4.45Å; L180-Y187 HydrophobicContact CD1-CG 4.47Å; L180-F208 HydrophobicContact CD1-CE1 4.17Å; L180-F208 HydrophobicContact CD2-CE1 4.13Å
181	H	96.3	Very high	97.3	Very high	18 Å²	18	8.9 Å²	8.9	8%	0.083	5%	0.047	C	C	.	.	H	α-helix	trans	-67.3	-32	-178.7	-71.5	-172.3	0	0	0	111.5	F177 Y179 V183 D184 I185 K241 D244 W245	F177-H181 WeakPolarHBondContact O-CB 3.22Å; F177-H181 PolarHBondContact O-CD2 3.14Å; F177-H181 PolarHBondContact O-N 3.29Å; Y179-H181 VanDerWaalsContact C-N 3.28Å; Y179-H181 PolarHBondContact O-N 3.1Å; H181-V183 PolarHBondContact O-N 3.16Å; H181-D184 PolarHBondContact O-N 2.75Å; H181-I185 PolarHBondContact CD2-O 3.13Å; H181-I185 VanDerWaalsContact CD2-O 3.26Å; H181-K241 HydrophobicContact CB-CD 3.84Å; H181-K241 HydrophobicContact CB-CG 4.43Å; H181-K241 PolarHBondContact CE1-O 3.46Å; H181-K241 VanDerWaalsContact CE1-O 3.24Å; H181-K241 WeakPolarHBondContact O-CE 3.21Å; H181-K241 PolarHBondContact O-NZ 2.99Å; H181-D244 IonicContact CD2-OD2 3.34Å; H181-D244 IonicContact CE1-OD2 2.84Å; H181-D244 IonicContact NE2-OD2 3.4Å; H181-D244 PolarHBondContact NE2-OD2 3.25Å; H181-W245 AromaticContact CE1-CE2 3.6Å; H181-W245 AromaticContact CE1-CZ2 3.78Å; H181-W245 AromaticContact CE1-NE1 3.47Å; H181-W245 PolarHBondContact CE1-NE1 2.85Å; H181-W245 AromaticContact ND1-CE2 3.6Å; H181-W245 AromaticContact ND1-CZ2 3.52Å; H181-W245 AromaticContact ND1-NE1 3.39Å; H181-W245 PolarHBondContact ND1-NE1 2.66Å
182	S	94.5	Very high	97.2	Very high	36 Å²	36	8.9 Å²	8.9	25%	0.252	5%	0.047	S	C	.	.	H	α-helix	trans	-67.1	-19.4	175.1	78.3	0	0	0	0	114.1	I45 E178 Y179 L180	I45-S182 WeakPolarHBondContact CD1-OG 3.36Å; I45-S182 VanDerWaalsContact CG1-OG 3.26Å; I45-S182 WeakPolarHBondContact CG1-OG 3.47Å; E178-S182 WeakPolarHBondContact O-CB 3.2Å; E178-S182 PolarHBondContact O-N 2.58Å; Y179-S182 WeakPolarHBondContact O-CB 3.49Å; Y179-S182 PolarHBondContact O-N 2.96Å; Y179-S182 VanDerWaalsContact O-N 3.11Å; Y179-S182 PolarHBondContact O-OG 3.24Å; L180-S182 VanDerWaalsContact C-N 3.29Å; L180-S182 PolarHBondContact O-N 3.22Å
183	V	95.3	Very high	97.1	Very high	6 Å²	6	11 Å²	11	4%	0.036	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	23	175.1	-61.6	0	0	0	0	112.7	I45 F48 Y179 L180 H181 I185	I45-V183 HydrophobicContact CB-CG1 4.33Å; I45-V183 HydrophobicContact CG1-CG1 4Å; I45-V183 HydrophobicContact CG2-CG1 4.25Å; F48-V183 HydrophobicContact CB-CG1 4.01Å; F48-V183 HydrophobicContact CD1-CB 3.7Å; F48-V183 HydrophobicContact CD1-CG1 3.65Å; F48-V183 HydrophobicContact CD1-CG2 4.22Å; F48-V183 HydrophobicContact CD2-CG1 4.45Å; F48-V183 HydrophobicContact CD2-CG2 4.22Å; F48-V183 HydrophobicContact CE1-CB 3.8Å; F48-V183 HydrophobicContact CE1-CG1 4.29Å; F48-V183 HydrophobicContact CE1-CG2 4.14Å; F48-V183 HydrophobicContact CE2-CG2 4.12Å; F48-V183 HydrophobicContact CG-CB 4.11Å; F48-V183 HydrophobicContact CG-CG1 3.77Å; F48-V183 HydrophobicContact CG-CG2 4.29Å; F48-V183 HydrophobicContact CZ-CB 4.28Å; F48-V183 HydrophobicContact CZ-CG2 4.1Å; Y179-V183 PolarHBondContact O-N 2.93Å; L180-V183 CarbonylContact O-C 3.59Å; L180-V183 WeakPolarHBondContact O-CG2 3.44Å; L180-V183 PolarHBondContact O-N 2.76Å; L180-V183 VanDerWaalsContact O-N 3.13Å; H181-V183 PolarHBondContact O-N 3.16Å; V183-I185 HydrophobicContact CG2-CD1 3.9Å; V183-I185 HydrophobicContact CG2-CG1 4.25Å; V183-I185 PolarHBondContact O-N 2.82Å
184	D	95.5	Very high	97	Very high	63 Å²	63	11.5 Å²	11.5	34%	0.337	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	22.6	176.4	-59	-46.9	0	0	0	115.8	L180 H181 M213 I214 K241	L180-D184 PolarHBondContact O-N 3.43Å; H181-D184 PolarHBondContact O-N 2.75Å; D184-M213 HydrophobicContact CB-CG 4.34Å; D184-M213 CarbonylContact O-C 3.55Å; D184-M213 VanDerWaalsContact O-CA 3.27Å; D184-M213 WeakPolarHBondContact O-CA 3.1Å; D184-I214 WeakPolarHBondContact O-CG1 3.38Å; D184-I214 PolarHBondContact O-N 3.4Å; D184-K241 IonicContact OD1-NZ 3.85Å; D184-K241 PolarHBondContact OD1-NZ 3.37Å
185	I	97.1	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.7	173.8	-67.7	166.3	0	0	0	109.9	F48 I117 L121 L180 H181 V183 A211 K212 M213	F48-I185 HydrophobicContact CE2-CD1 3.75Å; F48-I185 HydrophobicContact CZ-CD1 3.54Å; I117-I185 HydrophobicContact CD1-CD1 4.49Å; I117-I185 HydrophobicContact CD1-CG2 4.43Å; I117-I185 HydrophobicContact CG1-CD1 4.11Å; I117-I185 HydrophobicContact CG2-CD1 3.87Å; L121-I185 HydrophobicContact CD2-CD1 4.3Å; L180-I185 CarbonylContact C-O 3.57Å; L180-I185 HydrophobicContact CB-CB 4.18Å; L180-I185 HydrophobicContact CB-CG2 4.31Å; L180-I185 HydrophobicContact CD2-CB 4.34Å; L180-I185 HydrophobicContact CD2-CD1 4.47Å; L180-I185 HydrophobicContact CD2-CG2 4.11Å; L180-I185 PolarHBondContact O-N 3.15Å; H181-I185 PolarHBondContact CD2-O 3.13Å; H181-I185 VanDerWaalsContact CD2-O 3.26Å; V183-I185 HydrophobicContact CG2-CD1 3.9Å; V183-I185 HydrophobicContact CG2-CG1 4.25Å; V183-I185 PolarHBondContact O-N 2.82Å; I185-A211 HydrophobicContact CG2-CB 4.17Å; I185-K212 WeakPolarHBondContact CA-O 3.43Å; I185-M213 HydrophobicContact CG1-CB 4.32Å; I185-M213 HydrophobicContact CG1-CE 4.45Å
186	V	97.2	Very high	97	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.4	163.6	-165.1	0	0	0	0	108.2	R188 A211 K212 I214 K241 V243 D244	V186-R188 HydrophobicContact CB-CG 3.93Å; V186-R188 HydrophobicContact CG1-CG 3.49Å; V186-R188 VanDerWaalsContact CG1-CG 3.49Å; V186-A211 CarbonylContact O-C 3.59Å; V186-A211 VanDerWaalsContact O-CA 3.28Å; V186-A211 WeakPolarHBondContact O-CA 3.27Å; V186-K212 PolarHBondContact N-O 3.33Å; V186-K212 PolarHBondContact O-N 3.35Å; V186-I214 HydrophobicContact CG2-CD1 3.21Å; V186-I214 HydrophobicContact CG2-CG1 3.62Å; V186-I214 HydrophobicContact CG2-CG2 4.33Å; V186-K241 HydrophobicContact CG2-CG 3.98Å; V186-V243 HydrophobicContact CG1-CG2 3.7Å; V186-D244 WeakPolarHBondContact CA-OD2 3.4Å; V186-D244 WeakPolarHBondContact CG1-OD2 3.5Å
187	Y	97.9	Very high	97	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.066	C	C	.	.			trans	-83.3	-47.1	-174.6	-179.9	-114.3	0	0	0	113.1	F177 L180 D189 L190 N194 V205 T206 D207 F208 L210 A211 D244	F177-Y187 AromaticContact CE1-CD1 3.9Å; F177-Y187 HydrophobicContact CE1-CD1 3.9Å; F177-Y187 HydrophobicContact CE1-CG 4.02Å; F177-Y187 AromaticContact CZ-CD1 3.9Å; F177-Y187 HydrophobicContact CZ-CD1 3.9Å; F177-Y187 HydrophobicContact CZ-CG 4.4Å; L180-Y187 HydrophobicContact CD1-CD2 4.45Å; L180-Y187 HydrophobicContact CD1-CG 4.47Å; Y187-D189 VanDerWaalsContact C-N 3.28Å; Y187-D189 VanDerWaalsContact CE1-O 3.32Å; Y187-D189 WeakPolarHBondContact CE1-O 3.45Å; Y187-D189 PolarHBondContact O-N 2.87Å; Y187-L190 HydrophobicContact CD1-CB 4.23Å; Y187-L190 HydrophobicContact CE1-CB 4.31Å; Y187-N194 VanDerWaalsContact OH-CB 3.27Å; Y187-N194 WeakPolarHBondContact OH-CB 3.32Å; Y187-N194 PolarHBondContact OH-ND2 3.44Å; Y187-V205 HydrophobicContact CD2-CG1 4.27Å; Y187-V205 HydrophobicContact CE1-CG1 4.12Å; Y187-V205 HydrophobicContact CE2-CG1 3.68Å; Y187-T206 PolarHBondContact OH-O 2.86Å; Y187-D207 WeakPolarHBondContact CE2-O 3.28Å; Y187-D207 PolarHBondContact OH-O 3.31Å; Y187-F208 HydrophobicContact CD2-CD1 4.07Å; Y187-F208 AromaticContact CD2-CE1 3.99Å; Y187-F208 HydrophobicContact CD2-CE1 3.99Å; Y187-F208 HydrophobicContact CD2-CZ 4.49Å; Y187-F208 HydrophobicContact CE2-CD1 4.18Å; Y187-F208 HydrophobicContact CE2-CD2 4.45Å; Y187-F208 HydrophobicContact CE2-CE1 4.19Å; Y187-F208 HydrophobicContact CE2-CE2 4.48Å; Y187-F208 HydrophobicContact CE2-CG 4.31Å; Y187-F208 HydrophobicContact CE2-CZ 4.34Å; Y187-L210 CarbonylContact O-C 3.59Å; Y187-A211 HydrophobicContact CD2-CB 4.39Å; Y187-A211 PolarHBondContact O-N 3.45Å; Y187-D244 PolarHBondContact N-OD1 3.29Å; Y187-D244 PolarHBondContact N-OD2 3.19Å
188	R	97.4	Very high	96.9	Very high	14 Å²	14	13.3 Å²	13.3	5%	0.053	7%	0.069	C	C	.	.			trans	68.2	0.8	169.8	-50.3	-173.1	-67	165.3	4.6	118.2	V186 L210 C223 G224 Y239 V243 D244	V186-R188 HydrophobicContact CB-CG 3.93Å; V186-R188 HydrophobicContact CG1-CG 3.49Å; V186-R188 VanDerWaalsContact CG1-CG 3.49Å; R188-L210 PolarHBondContact NE-O 3.34Å; R188-L210 PolarHBondContact NH2-O 3.44Å; R188-C223 VanDerWaalsContact CZ-SG 3.59Å; R188-C223 PolarHBondContact NH1-SG 3.48Å; R188-G224 WeakPolarHBondContact O-CA 3.39Å; R188-Y239 WeakPolarHBondContact CD-OH 3.23Å; R188-Y239 HydrophobicContact CG-CE2 4.36Å; R188-Y239 PolarHBondContact NH1-OH 2.73Å; R188-V243 HydrophobicContact CG-CG2 4.43Å; R188-D244 PolarHBondContact N-OD1 2.63Å
189	D	96.5	Very high	96.8	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	9%	0.086	C	C	.	.			trans	-138.6	43.5	175.2	-157	35.5	0	0	0	113.1	Y187 K191 N194 L210 T225	Y187-D189 VanDerWaalsContact C-N 3.28Å; Y187-D189 VanDerWaalsContact CE1-O 3.32Å; Y187-D189 WeakPolarHBondContact CE1-O 3.45Å; Y187-D189 PolarHBondContact O-N 2.87Å; D189-K191 PolarHBondContact O-N 3.12Å; D189-K191 IonicContact OD1-NZ 3.74Å; D189-K191 PolarHBondContact OD1-NZ 3.32Å; D189-K191 VanDerWaalsContact OD2-CE 3.28Å; D189-K191 WeakPolarHBondContact OD2-CE 3.47Å; D189-K191 IonicContact OD2-NZ 2.78Å; D189-K191 PolarHBondContact OD2-NZ 2.93Å; D189-N194 PolarHBondContact O-ND2 3.1Å; D189-N194 PolarHBondContact OD2-ND2 2.89Å; D189-L210 HydrophobicContact CB-CB 4.23Å; D189-L210 HydrophobicContact CB-CD1 3.86Å; D189-L210 HydrophobicContact CB-CG 4.45Å; D189-T225 PolarHBondContact OD1-N 3.02Å; D189-T225 PolarHBondContact OD1-OG1 3.09Å
190	L	98.5	Very high	96.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.115	C	C	.	.			trans	-67.4	125.4	174	-175.2	65.6	0	0	0	110.1	V173 F177 Y187 L195 Y228 A247 L251	V173-L190 HydrophobicContact CG1-CD1 4.14Å; V173-L190 HydrophobicContact CG1-CD2 3.89Å; F177-L190 HydrophobicContact CE2-CD2 3.72Å; F177-L190 HydrophobicContact CE2-CG 4.5Å; F177-L190 HydrophobicContact CZ-CB 4.02Å; F177-L190 HydrophobicContact CZ-CD1 3.97Å; F177-L190 HydrophobicContact CZ-CD2 3.88Å; F177-L190 HydrophobicContact CZ-CG 4.17Å; Y187-L190 HydrophobicContact CD1-CB 4.23Å; Y187-L190 HydrophobicContact CE1-CB 4.31Å; L190-L195 HydrophobicContact CD1-CD1 4.07Å; L190-L195 HydrophobicContact CD1-CD2 4.13Å; L190-L195 HydrophobicContact CD1-CG 4.24Å; L190-Y228 WeakPolarHBondContact O-CD1 3.12Å; L190-Y228 WeakPolarHBondContact O-CE1 3.5Å; L190-A247 HydrophobicContact CB-CB 3.9Å; L190-A247 HydrophobicContact CD2-CB 4.14Å; L190-L251 HydrophobicContact CD1-CD2 4.14Å; L190-L251 HydrophobicContact CD2-CB 4.21Å; L190-L251 HydrophobicContact CD2-CD2 3.98Å; L190-L251 HydrophobicContact CG-CD2 4.21Å
191	K	97.3	Very high	96.8	Very high	21 Å²	21	22 Å²	22	9%	0.091	12%	0.115	C	C	.	.	S	Bend	trans	-164.9	161.1	172.5	59.9	-175.5	161	-153.5	0	109.1	D189 E193 N194 T225 Y228	D189-K191 PolarHBondContact O-N 3.12Å; D189-K191 IonicContact OD1-NZ 3.74Å; D189-K191 PolarHBondContact OD1-NZ 3.32Å; D189-K191 VanDerWaalsContact OD2-CE 3.28Å; D189-K191 WeakPolarHBondContact OD2-CE 3.47Å; D189-K191 IonicContact OD2-NZ 2.78Å; D189-K191 PolarHBondContact OD2-NZ 2.93Å; K191-E193 VanDerWaalsContact CB-OE2 3.29Å; K191-E193 WeakPolarHBondContact CB-OE2 2.97Å; K191-E193 HydrophobicContact CD-CB 4.21Å; K191-E193 WeakPolarHBondContact CD-OE2 3.42Å; K191-E193 HydrophobicContact CG-CB 4.16Å; K191-E193 VanDerWaalsContact CG-OE2 3.29Å; K191-E193 WeakPolarHBondContact CG-OE2 3.47Å; K191-E193 PolarHBondContact O-N 3.05Å; K191-N194 VanDerWaalsContact CE-ND2 3.26Å; K191-N194 WeakPolarHBondContact CE-ND2 3.41Å; K191-N194 WeakPolarHBondContact CE-OD1 3.43Å; K191-N194 HydrophobicContact CG-CB 4.17Å; K191-N194 PolarHBondContact O-N 2.81Å; K191-T225 HydrophobicContact CD-CG2 4.27Å; K191-T225 WeakPolarHBondContact CD-OG1 3.45Å; K191-T225 PolarHBondContact NZ-OG1 2.87Å; K191-Y228 HydrophobicContact CB-CD2 4.2Å; K191-Y228 HydrophobicContact CB-CE2 4.01Å
192	P	97.9	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.6	-177.4	-23.5	34.4	0	0	0	114	L151 F152 L155 N194 L195 Y228 L251	L151-P192 HydrophobicContact CB-CB 4.48Å; F152-P192 HydrophobicContact CB-CB 3.8Å; F152-P192 HydrophobicContact CD2-CB 4.18Å; F152-P192 PolarHBondContact N-O 3.46Å; L155-P192 HydrophobicContact CD2-CG 4.33Å; P192-N194 VanDerWaalsContact C-N 3.31Å; P192-N194 PolarHBondContact O-N 3.19Å; P192-L195 PolarHBondContact O-N 2.86Å; P192-Y228 WeakPolarHBondContact CD-OH 3.41Å; P192-L251 HydrophobicContact CG-CD1 3.78Å
193	E	95	Very high	97.1	Very high	45 Å²	45	19.8 Å²	19.8	21%	0.21	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-67.6	-31.6	177.6	-60.2	91	144.2	0	0	111.9	F152 K191 L195	F152-E193 HydrophobicContact CB-CG 3.92Å; F152-E193 HydrophobicContact CD1-CG 4.4Å; F152-E193 HydrophobicContact CD2-CG 3.88Å; F152-E193 HydrophobicContact CE2-CG 4.48Å; F152-E193 HydrophobicContact CG-CG 3.82Å; K191-E193 VanDerWaalsContact CB-OE2 3.29Å; K191-E193 WeakPolarHBondContact CB-OE2 2.97Å; K191-E193 HydrophobicContact CD-CB 4.21Å; K191-E193 WeakPolarHBondContact CD-OE2 3.42Å; K191-E193 HydrophobicContact CG-CB 4.16Å; K191-E193 VanDerWaalsContact CG-OE2 3.29Å; K191-E193 WeakPolarHBondContact CG-OE2 3.47Å; K191-E193 PolarHBondContact O-N 3.05Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 3.44Å
194	N	96.7	Very high	97.3	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.064	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-91.5	10.3	179.8	-72.3	-4.8	0	0	0	113.2	Y187 D189 K191 P192 T206	Y187-N194 VanDerWaalsContact OH-CB 3.27Å; Y187-N194 WeakPolarHBondContact OH-CB 3.32Å; Y187-N194 PolarHBondContact OH-ND2 3.44Å; D189-N194 PolarHBondContact O-ND2 3.1Å; D189-N194 PolarHBondContact OD2-ND2 2.89Å; K191-N194 VanDerWaalsContact CE-ND2 3.26Å; K191-N194 WeakPolarHBondContact CE-ND2 3.41Å; K191-N194 WeakPolarHBondContact CE-OD1 3.43Å; K191-N194 HydrophobicContact CG-CB 4.17Å; K191-N194 PolarHBondContact O-N 2.81Å; P192-N194 VanDerWaalsContact C-N 3.31Å; P192-N194 PolarHBondContact O-N 3.19Å; N194-T206 WeakPolarHBondContact O-CG2 3.5Å; N194-T206 PolarHBondContact O-N 2.81Å
195	L	98.4	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	105.5	175.6	-65.3	176.4	0	0	0	108.9	L151 V173 L190 P192 E193 L203 V205 L251	L151-L195 HydrophobicContact CB-CB 3.97Å; L151-L195 WeakPolarHBondContact CB-O 3.5Å; L151-L195 HydrophobicContact CD2-CB 4.11Å; L151-L195 HydrophobicContact CD2-CD1 3.72Å; L151-L195 PolarHBondContact N-O 3.42Å; V173-L195 HydrophobicContact CG2-CD1 4.07Å; V173-L195 HydrophobicContact CG2-CD2 4.24Å; L190-L195 HydrophobicContact CD1-CD1 4.07Å; L190-L195 HydrophobicContact CD1-CD2 4.13Å; L190-L195 HydrophobicContact CD1-CG 4.24Å; P192-L195 PolarHBondContact O-N 2.86Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 3.44Å; L195-L203 HydrophobicContact CB-CD2 4.33Å; L195-L203 HydrophobicContact CD1-CD1 4.31Å; L195-V205 HydrophobicContact CD2-CB 4.45Å; L195-V205 HydrophobicContact CD2-CG2 3.79Å; L195-L251 HydrophobicContact CD1-CD1 4.21Å; L195-L251 HydrophobicContact CD1-CD2 3.6Å
196	L	97.5	Very high	97.3	Very high	23 Å²	23	18.6 Å²	18.6	12%	0.12	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.3	176.2	-57.6	179.9	0	0	0	110.2	V146 G149 E150 L203 K204 T206	V146-L196 HydrophobicContact CB-CB 3.98Å; V146-L196 HydrophobicContact CB-CD1 3.92Å; V146-L196 HydrophobicContact CG1-CB 3.54Å; V146-L196 HydrophobicContact CG1-CD1 4.43Å; V146-L196 HydrophobicContact CG2-CD1 4.41Å; G149-L196 CarbonylContact O-C 3.49Å; G149-L196 WeakPolarHBondContact O-CA 3.48Å; E150-L196 HydrophobicContact CB-CD2 4.5Å; E150-L196 HydrophobicContact CG-CD2 3.8Å; L196-L203 CarbonylContact O-C 3.54Å; L196-L203 VanDerWaalsContact O-CA 3.27Å; L196-L203 WeakPolarHBondContact O-CA 3.32Å; L196-K204 HydrophobicContact CB-CB 4.43Å; L196-K204 PolarHBondContact N-O 3.49Å; L196-K204 PolarHBondContact O-N 3.03Å; L196-T206 HydrophobicContact CD1-CG2 3.98Å; L196-T206 HydrophobicContact CD2-CG2 4.44Å; L196-T206 HydrophobicContact CG-CG2 3.83Å
197	I	98.1	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.5	174	-57.4	163.7	0	0	0	107.8	V146 G148 G149 L151 L154 Y202 L203 Y338 P340	V146-I197 WeakPolarHBondContact CG1-O 3.33Å; G148-I197 CarbonylContact C-O 3.46Å; G148-I197 WeakPolarHBondContact CA-O 3.46Å; G148-I197 PolarHBondContact N-O 2.91Å; G149-I197 PolarHBondContact O-N 2.94Å; L151-I197 HydrophobicContact CD1-CD1 3.99Å; L151-I197 HydrophobicContact CD1-CG1 4.36Å; L154-I197 HydrophobicContact CB-CD1 4.22Å; L154-I197 HydrophobicContact CD2-CD1 3.54Å; I197-Y202 CarbonylContact C-O 3.41Å; I197-Y202 WeakPolarHBondContact CA-O 3.28Å; I197-L203 HydrophobicContact CG1-CD2 3.94Å; I197-Y338 HydrophobicContact CD1-CD1 4.3Å; I197-Y338 HydrophobicContact CD1-CE1 4.34Å; I197-P340 HydrophobicContact CG2-CG 4.02Å
198	D	96.5	Very high	96.9	Very high	14 Å²	14	21.1 Å²	21.1	8%	0.075	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-85.2	173.7	174.4	71.1	31.8	0	0	0	112.9	V146 K200 G201 Y202 R332 P340	V146-D198 HydrophobicContact CG1-CB 3.9Å; D198-K200 PolarHBondContact O-N 2.77Å; D198-K200 WeakPolarHBondContact OD1-CA 3.27Å; D198-K200 WeakPolarHBondContact OD1-CB 3.43Å; D198-K200 PolarHBondContact OD1-N 3.3Å; D198-G201 PolarHBondContact O-N 3.16Å; D198-G201 PolarHBondContact OD1-N 2.88Å; D198-Y202 PolarHBondContact N-O 2.81Å; D198-Y202 PolarHBondContact OD1-N 3.32Å; D198-Y202 VanDerWaalsContact OD1-N 3.12Å; D198-R332 VanDerWaalsContact CG-NH2 3.27Å; D198-R332 IonicContact OD1-NH2 3.69Å; D198-R332 PolarHBondContact OD1-NH2 3.03Å; D198-R332 IonicContact OD2-CZ 3.18Å; D198-R332 IonicContact OD2-NH1 2.68Å; D198-R332 PolarHBondContact OD2-NH1 3.44Å; D198-R332 IonicContact OD2-NH2 3.19Å; D198-R332 PolarHBondContact OD2-NH2 3.17Å; D198-P340 WeakPolarHBondContact O-CD 3.37Å; D198-P340 VanDerWaalsContact O-CG 3.24Å; D198-P340 WeakPolarHBondContact O-CG 3.27Å
199	S	95.1	Very high	96.6	Very high	65 Å²	65	21.1 Å²	21.1	46%	0.455	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.6	-177.9	58.8	0	0	0	0	114.8
200	K	96.3	Very high	96.4	Very high	138 Å²	138	21.8 Å²	21.8	60%	0.6	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	3.8	174.4	-59.5	-173.9	179.6	-177.9	0	112.6	D198 Y202 A336	D198-K200 PolarHBondContact O-N 2.77Å; D198-K200 WeakPolarHBondContact OD1-CA 3.27Å; D198-K200 WeakPolarHBondContact OD1-CB 3.43Å; D198-K200 PolarHBondContact OD1-N 3.3Å; K200-Y202 HydrophobicContact CB-CD2 4.31Å; K200-A336 VanDerWaalsContact O-CB 3.28Å; K200-A336 WeakPolarHBondContact O-CB 3.48Å
201	G	97.9	Very high	96.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	82.5	9.2	-179.8	0	0	0	0	0	114.9	D198 Y338	D198-G201 PolarHBondContact O-N 3.16Å; D198-G201 PolarHBondContact OD1-N 2.88Å; G201-Y338 WeakPolarHBondContact CA-O 3.42Å
202	Y	98.6	Very high	96.1	Very high	5 Å²	5	24 Å²	24	2%	0.02	13%	0.125	C	C	.	.			trans	-92.2	155.6	177.7	-82.8	-99.5	0	0	0	111.5	F125 F168 Q172 I197 D198 K200 L329 R332 K333 L334	F125-Y202 HydrophobicContact CD1-CD1 4.34Å; F125-Y202 AromaticContact CE1-CD1 3.65Å; F125-Y202 HydrophobicContact CE1-CD1 3.65Å; F125-Y202 HydrophobicContact CE1-CE1 4.11Å; F168-Y202 HydrophobicContact CE2-CE1 4.14Å; F168-Y202 HydrophobicContact CZ-CD1 4.06Å; F168-Y202 HydrophobicContact CZ-CD2 4.26Å; F168-Y202 AromaticContact CZ-CE1 3.82Å; F168-Y202 HydrophobicContact CZ-CE1 3.82Å; F168-Y202 HydrophobicContact CZ-CE2 4.01Å; F168-Y202 HydrophobicContact CZ-CG 4.29Å; F168-Y202 AromaticContact CZ-CZ 3.79Å; Q172-Y202 HydrophobicContact CG-CD1 4.42Å; Q172-Y202 VanDerWaalsContact OE1-CD1 3.23Å; I197-Y202 CarbonylContact C-O 3.41Å; I197-Y202 WeakPolarHBondContact CA-O 3.28Å; D198-Y202 PolarHBondContact N-O 2.81Å; D198-Y202 PolarHBondContact OD1-N 3.32Å; D198-Y202 VanDerWaalsContact OD1-N 3.12Å; K200-Y202 HydrophobicContact CB-CD2 4.31Å; Y202-L329 HydrophobicContact CE1-CD1 3.87Å; Y202-R332 HydrophobicContact CD1-CG 4.1Å; Y202-R332 HydrophobicContact CE1-CB 4.11Å; Y202-R332 HydrophobicContact CE1-CG 4.02Å; Y202-R332 HydrophobicContact CE2-CB 4.21Å; Y202-R332 HydrophobicContact CG-CG 4.49Å; Y202-R332 VanDerWaalsContact OH-C 3.25Å; Y202-R332 WeakPolarHBondContact OH-CA 3.49Å; Y202-K333 PolarHBondContact OH-N 3.32Å; Y202-L334 PolarHBondContact OH-N 2.73Å; Y202-L334 PolarHBondContact OH-O 2.97Å
203	L	98.7	Very high	96	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	148.8	179.4	-64.8	-178.5	0	0	0	112.8	F125 L151 Y169 Q172 V173 L195 L196 I197	F125-L203 WeakPolarHBondContact CA-O 3.39Å; L151-L203 HydrophobicContact CD1-CD2 4.3Å; L151-L203 HydrophobicContact CD2-CD2 4.31Å; Y169-L203 HydrophobicContact CD1-CD1 3.83Å; Y169-L203 HydrophobicContact CD1-CD2 3.84Å; Y169-L203 HydrophobicContact CD1-CG 3.62Å; Y169-L203 HydrophobicContact CE1-CD2 4.07Å; Y169-L203 HydrophobicContact CE1-CG 4.21Å; Y169-L203 HydrophobicContact CG-CD1 4.15Å; Y169-L203 HydrophobicContact CG-CG 4.4Å; Q172-L203 HydrophobicContact CB-CD1 4.45Å; V173-L203 HydrophobicContact CG2-CD1 4.19Å; L195-L203 HydrophobicContact CB-CD2 4.33Å; L195-L203 HydrophobicContact CD1-CD1 4.31Å; L196-L203 CarbonylContact O-C 3.54Å; L196-L203 VanDerWaalsContact O-CA 3.27Å; L196-L203 WeakPolarHBondContact O-CA 3.32Å; I197-L203 HydrophobicContact CG1-CD2 3.94Å
204	K	98.4	Very high	95.9	Very high	17 Å²	17	23.8 Å²	23.8	7%	0.074	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.8	166.8	-71.5	-76.3	-171	158.8	0	108.2	P124 F125 M126 E144 V146 L196 T206	P124-K204 WeakPolarHBondContact O-CE 3.43Å; P124-K204 PolarHBondContact O-NZ 2.77Å; F125-K204 CarbonylContact O-C 3.47Å; F125-K204 WeakPolarHBondContact O-CA 3.05Å; M126-K204 VanDerWaalsContact O-CD 3.29Å; M126-K204 WeakPolarHBondContact O-CD 3.49Å; M126-K204 PolarHBondContact O-NZ 3.33Å; E144-K204 IonicContact OE1-NZ 3.25Å; E144-K204 PolarHBondContact OE1-NZ 2.92Å; E144-K204 IonicContact OE2-NZ 2.75Å; E144-K204 PolarHBondContact OE2-NZ 3.45Å; V146-K204 HydrophobicContact CG1-CB 4.16Å; V146-K204 HydrophobicContact CG1-CG 4.13Å; V146-K204 HydrophobicContact CG2-CB 3.95Å; V146-K204 HydrophobicContact CG2-CG 3.85Å; L196-K204 HydrophobicContact CB-CB 4.43Å; L196-K204 PolarHBondContact N-O 3.49Å; L196-K204 PolarHBondContact O-N 3.03Å; K204-T206 PolarHBondContact O-N 3.48Å
205	V	98.4	Very high	95.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.9	169.6	-176.7	0	0	0	0	108	F125 M126 V127 A176 Y187 L195 F208	F125-V205 WeakPolarHBondContact O-CG2 3.29Å; F125-V205 PolarHBondContact O-N 2.78Å; M126-V205 HydrophobicContact SD-CB 3.69Å; M126-V205 HydrophobicContact SD-CG1 4.32Å; M126-V205 HydrophobicContact SD-CG2 3.96Å; V127-V205 WeakPolarHBondContact CB-O 3.45Å; V127-V205 WeakPolarHBondContact CG1-O 3.33Å; V127-V205 PolarHBondContact N-O 2.88Å; A176-V205 HydrophobicContact CB-CG2 4.13Å; Y187-V205 HydrophobicContact CD2-CG1 4.27Å; Y187-V205 HydrophobicContact CE1-CG1 4.12Å; Y187-V205 HydrophobicContact CE2-CG1 3.68Å; L195-V205 HydrophobicContact CD2-CB 4.45Å; L195-V205 HydrophobicContact CD2-CG2 3.79Å; V205-F208 HydrophobicContact CB-CZ 4.41Å; V205-F208 HydrophobicContact CG1-CE2 4.18Å; V205-F208 HydrophobicContact CG1-CZ 3.99Å
206	T	95.9	Very high	94.6	Very high	26 Å²	26	36.7 Å²	36.7	16%	0.16	19%	0.19	C	C	.	.			trans	-120.8	-175.5	177.1	-168.3	0	0	0	0	110.8	Y187 N194 L196 K204	Y187-T206 PolarHBondContact OH-O 2.86Å; N194-T206 WeakPolarHBondContact O-CG2 3.5Å; N194-T206 PolarHBondContact O-N 2.81Å; L196-T206 HydrophobicContact CD1-CG2 3.98Å; L196-T206 HydrophobicContact CD2-CG2 4.44Å; L196-T206 HydrophobicContact CG-CG2 3.83Å; K204-T206 PolarHBondContact O-N 3.48Å
207	D	92.3	Very high	94.1	Very high	53 Å²	53	40.4 Å²	40.4	28%	0.283	21%	0.21	S	C	.	.			trans	49	84.3	177.8	-157.8	3.4	0	0	0	115.4	K95 Y187 G209	K95-D207 IonicContact NZ-OD1 2.72Å; K95-D207 PolarHBondContact NZ-OD1 3.48Å; K95-D207 VanDerWaalsContact NZ-OD1 3.14Å; Y187-D207 WeakPolarHBondContact CE2-O 3.28Å; Y187-D207 PolarHBondContact OH-O 3.31Å; D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact OD1-N 2.75Å
208	F	94.4	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.			trans	-94.7	16.6	179.7	-74.7	-103	0	0	0	112.3	E114 I117 L118 L121 M126 V127 L180 Y187 V205 L210 A211	E114-F208 HydrophobicContact CG-CB 4.11Å; E114-F208 PolarHBondContact OE1-N 3.09Å; I117-F208 HydrophobicContact CG2-CD1 3.75Å; I117-F208 HydrophobicContact CG2-CE1 4.4Å; I117-F208 HydrophobicContact CG2-CG 4.41Å; L118-F208 HydrophobicContact CD1-CB 4.5Å; L118-F208 HydrophobicContact CD2-CB 4.29Å; L118-F208 HydrophobicContact CD2-CD2 3.42Å; L118-F208 VanDerWaalsContact CD2-CD2 3.42Å; L118-F208 HydrophobicContact CD2-CE2 3.91Å; L118-F208 HydrophobicContact CD2-CG 3.95Å; L118-F208 HydrophobicContact CG-CB 4.05Å; L118-F208 HydrophobicContact CG-CD2 4.13Å; L118-F208 HydrophobicContact CG-CG 4.22Å; L121-F208 HydrophobicContact CD1-CD1 3.88Å; L121-F208 HydrophobicContact CD1-CE1 3.37Å; L121-F208 HydrophobicContact CD1-CE2 4.43Å; L121-F208 HydrophobicContact CD1-CZ 3.69Å; M126-F208 HydrophobicContact SD-CE1 4.41Å; M126-F208 HydrophobicContact SD-CZ 3.65Å; V127-F208 HydrophobicContact CG1-CE2 4.26Å; L180-F208 HydrophobicContact CD1-CE1 4.17Å; L180-F208 HydrophobicContact CD2-CE1 4.13Å; Y187-F208 HydrophobicContact CD2-CD1 4.07Å; Y187-F208 AromaticContact CD2-CE1 3.99Å; Y187-F208 HydrophobicContact CD2-CE1 3.99Å; Y187-F208 HydrophobicContact CD2-CZ 4.49Å; Y187-F208 HydrophobicContact CE2-CD1 4.18Å; Y187-F208 HydrophobicContact CE2-CD2 4.45Å; Y187-F208 HydrophobicContact CE2-CE1 4.19Å; Y187-F208 HydrophobicContact CE2-CE2 4.48Å; Y187-F208 HydrophobicContact CE2-CG 4.31Å; Y187-F208 HydrophobicContact CE2-CZ 4.34Å; V205-F208 HydrophobicContact CB-CZ 4.41Å; V205-F208 HydrophobicContact CG1-CE2 4.18Å; V205-F208 HydrophobicContact CG1-CZ 3.99Å; F208-L210 PolarHBondContact O-N 3.25Å; F208-A211 HydrophobicContact CB-CB 4Å; F208-A211 HydrophobicContact CD1-CB 3.69Å; F208-A211 HydrophobicContact CG-CB 4.3Å; F208-A211 WeakPolarHBondContact O-CB 3.41Å; F208-A211 PolarHBondContact O-N 3.24Å
209	G	90.9	Very high	93.7	Very high	14 Å²	14	43.6 Å²	43.6	14%	0.144	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.6	-179.1	0	0	0	0	0	113.8	E114 D207	E114-G209 PolarHBondContact OE1-N 3.21Å; D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact OD1-N 2.75Å
210	L	92.5	Very high	93.6	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.094	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.9	175.8	-61.7	-175.2	0	0	0	113.4	Y187 R188 D189 F208 C223 L391	Y187-L210 CarbonylContact O-C 3.59Å; R188-L210 PolarHBondContact NE-O 3.34Å; R188-L210 PolarHBondContact NH2-O 3.44Å; D189-L210 HydrophobicContact CB-CB 4.23Å; D189-L210 HydrophobicContact CB-CD1 3.86Å; D189-L210 HydrophobicContact CB-CG 4.45Å; F208-L210 PolarHBondContact O-N 3.25Å; L210-C223 HydrophobicContact CD1-CB 4.14Å; L210-C223 HydrophobicContact CD2-CB 4.04Å; L210-L391 HydrophobicContact CD1-CD1 4.16Å
211	A	95.5	Very high	93.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.214	C	C	.	.			trans	-67.9	146.1	177.6	0	0	0	0	0	111	N113 I117 I185 V186 Y187 F208	N113-A211 PolarHBondContact ND2-O 2.72Å; I117-A211 HydrophobicContact CD1-CB 3.78Å; I185-A211 HydrophobicContact CG2-CB 4.17Å; V186-A211 CarbonylContact O-C 3.59Å; V186-A211 VanDerWaalsContact O-CA 3.28Å; V186-A211 WeakPolarHBondContact O-CA 3.27Å; Y187-A211 HydrophobicContact CD2-CB 4.39Å; Y187-A211 PolarHBondContact O-N 3.45Å; F208-A211 HydrophobicContact CB-CB 4Å; F208-A211 HydrophobicContact CD1-CB 3.69Å; F208-A211 HydrophobicContact CG-CB 4.3Å; F208-A211 WeakPolarHBondContact O-CB 3.41Å; F208-A211 PolarHBondContact O-N 3.24Å
212	K	93.9	Very high	93	Very high	67 Å²	67	46 Å²	46	29%	0.291	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	134	-178.5	-175.3	171.9	-177.5	173.7	0	112.7	I185 V186 I214 T219	I185-K212 WeakPolarHBondContact CA-O 3.43Å; V186-K212 PolarHBondContact N-O 3.33Å; V186-K212 PolarHBondContact O-N 3.35Å; K212-I214 HydrophobicContact CD-CG2 4.46Å; K212-I214 HydrophobicContact CG-CG2 4.19Å; K212-T219 PolarHBondContact NZ-OG1 3.43Å
213	M	94.3	Very high	92.6	Very high	35 Å²	35	46 Å²	46	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.3	168.3	-173.5	178.7	-74.5	0	0	110.3	F48 W52 D184 I185	F48-M213 HydrophobicContact CE1-CE 3.71Å; F48-M213 HydrophobicContact CZ-CE 3.87Å; W52-M213 HydrophobicContact CD2-CE 3.56Å; W52-M213 HydrophobicContact CD2-SD 4.49Å; W52-M213 HydrophobicContact CE3-CE 3.81Å; W52-M213 HydrophobicContact CG-CE 4.19Å; W52-M213 HydrophobicContact CH2-CB 4.48Å; W52-M213 HydrophobicContact CH2-CE 3.8Å; W52-M213 HydrophobicContact CH2-SD 4.3Å; W52-M213 HydrophobicContact CZ2-CE 3.53Å; W52-M213 HydrophobicContact CZ2-SD 3.63Å; W52-M213 HydrophobicContact CZ3-CE 3.93Å; D184-M213 HydrophobicContact CB-CG 4.34Å; D184-M213 CarbonylContact O-C 3.55Å; D184-M213 VanDerWaalsContact O-CA 3.27Å; D184-M213 WeakPolarHBondContact O-CA 3.1Å; I185-M213 HydrophobicContact CG1-CB 4.32Å; I185-M213 HydrophobicContact CG1-CE 4.45Å
214	I	93	Very high	92.3	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	23%	0.226	C	C	.	.			trans	-119	80.7	-173.8	54.4	160.3	0	0	0	112.5	D184 V186 K212 T216 N217 T219 K241	D184-I214 WeakPolarHBondContact O-CG1 3.38Å; D184-I214 PolarHBondContact O-N 3.4Å; V186-I214 HydrophobicContact CG2-CD1 3.21Å; V186-I214 HydrophobicContact CG2-CG1 3.62Å; V186-I214 HydrophobicContact CG2-CG2 4.33Å; K212-I214 HydrophobicContact CD-CG2 4.46Å; K212-I214 HydrophobicContact CG-CG2 4.19Å; I214-T216 PolarHBondContact O-N 2.79Å; I214-T216 VanDerWaalsContact O-N 3.13Å; I214-N217 PolarHBondContact O-N 2.6Å; I214-N217 VanDerWaalsContact O-N 3.14Å; I214-T219 HydrophobicContact CG2-CG2 4.22Å; I214-K241 HydrophobicContact CD1-CG 4.14Å
215	K	83.9	Confident	92.1	Very high	171 Å²	171	45.5 Å²	45.5	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.8	-179.7	-62.9	-176.5	178.3	-177.4	0	114.4
216	T	83.9	Confident	91.9	Very high	113 Å²	113	45.4 Å²	45.4	69%	0.693	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	14.6	-178	55.1	0	0	0	0	113.3	I214 R218	I214-T216 PolarHBondContact O-N 2.79Å; I214-T216 VanDerWaalsContact O-N 3.13Å; T216-R218 PolarHBondContact O-N 2.99Å; T216-R218 PolarHBondContact OG1-O 3.49Å
217	N	87	Confident	92	Very high	101 Å²	101	45.8 Å²	45.8	54%	0.54	22%	0.224	S	C	.	.	S	Bend	trans	60.3	-5.1	-174.6	-68	-38.9	0	0	0	116.4	I214 G240	I214-N217 PolarHBondContact O-N 2.6Å; I214-N217 VanDerWaalsContact O-N 3.14Å; N217-G240 WeakPolarHBondContact O-CA 3.24Å
218	R	92.7	Very high	92.3	Very high	74 Å²	74	44 Å²	44	28%	0.279	21%	0.214	S	C	.	.			trans	-132.2	144.9	-177.3	-65	-69	-179.9	178.9	-10.5	112.2	T216 G238 Y239	T216-R218 PolarHBondContact O-N 2.99Å; T216-R218 PolarHBondContact OG1-O 3.49Å; R218-G238 WeakPolarHBondContact CD-O 3.33Å; R218-G238 PolarHBondContact NH1-O 2.88Å; R218-Y239 CarbonylContact C-O 3.57Å; R218-Y239 VanDerWaalsContact CA-O 3.27Å; R218-Y239 WeakPolarHBondContact CA-O 3.47Å
219	T	93.4	Very high	92.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.043	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-141.1	165.5	165	-156.3	0	0	0	0	110.4	K212 I214 G238 Y239	K212-T219 PolarHBondContact NZ-OG1 3.43Å; I214-T219 HydrophobicContact CG2-CG2 4.22Å; T219-G238 WeakPolarHBondContact O-CA 3.47Å; T219-Y239 HydrophobicContact CG2-CD2 4.04Å; T219-Y239 HydrophobicContact CG2-CE1 4.01Å; T219-Y239 HydrophobicContact CG2-CE2 3.38Å; T219-Y239 WeakPolarHBondContact CG2-OH 3.5Å; T219-Y239 PolarHBondContact N-O 3.06Å; T219-Y239 VanDerWaalsContact O-CD1 3.27Å; T219-Y239 WeakPolarHBondContact O-CD1 3.27Å; T219-Y239 PolarHBondContact O-N 2.9Å
220	Y	93.5	Very high	92.8	Very high	165 Å²	165	43.6 Å²	43.6	65%	0.647	21%	0.208	S	C	*	.			trans	-128.6	-8.1	-166.3	-61.9	-88.4	0	0	0	113.9	M222 G238	Y220-M222 PolarHBondContact O-N 3.4Å; Y220-G238 VanDerWaalsContact CD1-CA 3.48Å
221	T	89.8	Confident	93	Very high	41 Å²	41	42.8 Å²	42.8	25%	0.252	20%	0.204	S	C	.	.			trans	-67.1	119.2	-177.9	-47.9	0	0	0	0	110.2	C223 Y239 V388	T221-C223 HydrophobicContact CG2-CB 4.45Å; T221-C223 PolarHBondContact O-N 3.04Å; T221-Y239 WeakPolarHBondContact O-CE1 3.35Å; T221-Y239 PolarHBondContact O-OH 2.86Å; T221-V388 HydrophobicContact CG2-CG2 4.11Å
222	M	90.9	Very high	93.1	Very high	49 Å²	49	43.1 Å²	43.1	24%	0.241	21%	0.206	C	C	.	.			trans	-70.9	112.8	169.3	-168	-174.6	-142.8	0	0	108.8	Y220 I233	Y220-M222 PolarHBondContact O-N 3.4Å; M222-I233 HydrophobicContact CG-CG2 3.99Å
223	C	91.1	Very high	93.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.02	19%	0.194	C	C	.	.			trans	-157.9	164.8	179.4	60.4	0	0	0	0	109.9	R188 L210 T221 L229	R188-C223 VanDerWaalsContact CZ-SG 3.59Å; R188-C223 PolarHBondContact NH1-SG 3.48Å; L210-C223 HydrophobicContact CD1-CB 4.14Å; L210-C223 HydrophobicContact CD2-CB 4.04Å; T221-C223 HydrophobicContact CG2-CB 4.45Å; T221-C223 PolarHBondContact O-N 3.04Å; C223-L229 WeakPolarHBondContact O-CD2 3.34Å
224	G	92.3	Very high	93.3	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	115.4	-176.8	-176.4	0	0	0	0	0	111.8	R188	R188-G224 WeakPolarHBondContact O-CA 3.39Å
225	T	93.5	Very high	93.4	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	21%	0.208	C	C	.	.			trans	-90.4	129.2	-179.4	-60.1	0	0	0	0	109.9	D189 K191 E227 Y228 L229	D189-T225 PolarHBondContact OD1-N 3.02Å; D189-T225 PolarHBondContact OD1-OG1 3.09Å; K191-T225 HydrophobicContact CD-CG2 4.27Å; K191-T225 WeakPolarHBondContact CD-OG1 3.45Å; K191-T225 PolarHBondContact NZ-OG1 2.87Å; T225-E227 VanDerWaalsContact C-N 3.29Å; T225-E227 WeakPolarHBondContact CG2-OE2 3.48Å; T225-E227 PolarHBondContact O-N 3.38Å; T225-E227 VanDerWaalsContact O-N 3.11Å; T225-Y228 HydrophobicContact CG2-CD2 4.48Å; T225-Y228 PolarHBondContact O-N 3.07Å; T225-L229 PolarHBondContact O-N 2.88Å
226	P	96.1	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-48.8	-41.9	-169.8	-32.5	37.6	0	0	0	115.9	Y228 M270 Y271 L390	P226-Y228 PolarHBondContact O-N 3.14Å; P226-M270 HydrophobicContact CB-CE 3.42Å; P226-M270 VanDerWaalsContact CB-CE 3.42Å; P226-Y271 HydrophobicContact CB-CE1 4.07Å; P226-L390 HydrophobicContact CG-CB 4.42Å
227	E	96.8	Very high	94.4	Very high	34 Å²	34	39.7 Å²	39.7	16%	0.159	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-67.7	-21.8	-178.5	-63.7	81.6	173.5	0	0	113.4	T225 V260 M270	T225-E227 VanDerWaalsContact C-N 3.29Å; T225-E227 WeakPolarHBondContact CG2-OE2 3.48Å; T225-E227 PolarHBondContact O-N 3.38Å; T225-E227 VanDerWaalsContact O-N 3.11Å; E227-V260 HydrophobicContact CB-CB 4.45Å; E227-V260 HydrophobicContact CB-CG1 4.15Å; E227-V260 HydrophobicContact CB-CG2 4.13Å; E227-V260 HydrophobicContact CG-CG2 4Å; E227-M270 HydrophobicContact CB-SD 4.35Å; E227-M270 HydrophobicContact CG-CE 4.49Å; E227-M270 HydrophobicContact CG-SD 3.85Å
228	Y	98.2	Very high	94.7	Very high	15 Å²	15	35.6 Å²	35.6	6%	0.059	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-106	-4.8	-174.3	-81.3	-95.5	0	0	0	113.4	L190 K191 P192 T225 P226 A230 A247 I250 L251 E254 V260	L190-Y228 WeakPolarHBondContact O-CD1 3.12Å; L190-Y228 WeakPolarHBondContact O-CE1 3.5Å; K191-Y228 HydrophobicContact CB-CD2 4.2Å; K191-Y228 HydrophobicContact CB-CE2 4.01Å; P192-Y228 WeakPolarHBondContact CD-OH 3.41Å; T225-Y228 HydrophobicContact CG2-CD2 4.48Å; T225-Y228 PolarHBondContact O-N 3.07Å; P226-Y228 PolarHBondContact O-N 3.14Å; Y228-A230 PolarHBondContact O-N 3.19Å; Y228-A247 HydrophobicContact CD1-CB 4.07Å; Y228-I250 HydrophobicContact CD1-CB 3.79Å; Y228-I250 HydrophobicContact CD1-CG2 3.68Å; Y228-I250 HydrophobicContact CD2-CG2 4.24Å; Y228-I250 HydrophobicContact CE1-CB 3.82Å; Y228-I250 HydrophobicContact CE1-CG2 3.57Å; Y228-I250 HydrophobicContact CE2-CG2 4.11Å; Y228-I250 HydrophobicContact CG-CG2 4.03Å; Y228-L251 HydrophobicContact CE1-CB 4.04Å; Y228-E254 PolarHBondContact OH-OE2 3.05Å; Y228-V260 HydrophobicContact CE2-CG1 4.29Å
229	L	97.7	Very high	94.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.162	C	C	.	.			trans	-64.5	133	-178.3	-67.3	-177.9	0	0	0	111.7	C223 T225 I233 I234 W246 Y271 L390	C223-L229 WeakPolarHBondContact O-CD2 3.34Å; T225-L229 PolarHBondContact O-N 2.88Å; L229-I233 HydrophobicContact CD2-CD1 4.31Å; L229-I233 HydrophobicContact CD2-CG2 4.07Å; L229-I234 HydrophobicContact CB-CD1 4.09Å; L229-I234 HydrophobicContact CB-CG1 3.92Å; L229-I234 HydrophobicContact CD1-CG1 4.2Å; L229-W246 PolarHBondContact O-NE1 3.44Å; L229-W246 VanDerWaalsContact O-NE1 3.11Å; L229-Y271 HydrophobicContact CD1-CE1 4.02Å; L229-L390 HydrophobicContact CD1-CD2 3.97Å
230	A	97.9	Very high	94.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.166	C	C	.	.			trans	-73.3	150.6	171	0	0	0	0	0	111.1	Y228 E232 I233 I234 V243 W246	Y228-A230 PolarHBondContact O-N 3.19Å; A230-E232 HydrophobicContact CB-CG 4.37Å; A230-E232 WeakPolarHBondContact CB-OE2 3.14Å; A230-E232 PolarHBondContact O-N 2.84Å; A230-I233 HydrophobicContact CB-CD1 4.33Å; A230-I233 HydrophobicContact CB-CG1 4.43Å; A230-I233 WeakPolarHBondContact O-CB 3.26Å; A230-I233 PolarHBondContact O-N 3.24Å; A230-I234 PolarHBondContact O-N 3.43Å; A230-V243 HydrophobicContact CB-CB 4Å; A230-V243 HydrophobicContact CB-CG1 3.84Å; A230-W246 HydrophobicContact CB-CB 3.98Å; A230-W246 HydrophobicContact CB-CD2 4.29Å; A230-W246 HydrophobicContact CB-CG 3.79Å
231	P	97.7	Very high	95.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-54.1	-39.3	-179.1	-23.4	29.8	0	0	0	113.4	I233 I234 Q235 W246 I274 I299	P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 2.78Å; P231-I234 PolarHBondContact O-N 3.26Å; P231-Q235 WeakPolarHBondContact O-CB 3.46Å; P231-Q235 VanDerWaalsContact O-CG 3.29Å; P231-Q235 WeakPolarHBondContact O-CG 3.28Å; P231-Q235 PolarHBondContact O-N 2.83Å; P231-W246 HydrophobicContact CG-CE3 4.25Å; P231-W246 HydrophobicContact CG-CH2 3.63Å; P231-W246 HydrophobicContact CG-CZ2 4.1Å; P231-W246 HydrophobicContact CG-CZ3 3.72Å; P231-I274 HydrophobicContact CB-CG2 4.47Å; P231-I274 HydrophobicContact CG-CG2 3.99Å; P231-I299 HydrophobicContact CB-CD1 4.17Å; P231-I299 HydrophobicContact CB-CG2 4.49Å; P231-I299 HydrophobicContact CG-CD1 3.32Å
232	E	97.2	Very high	95.5	Very high	9 Å²	9	25 Å²	25	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-28	179.5	62	-90.8	-149	0	0	113.6	A230 S236 K237 V243 R304	A230-E232 HydrophobicContact CB-CG 4.37Å; A230-E232 WeakPolarHBondContact CB-OE2 3.14Å; A230-E232 PolarHBondContact O-N 2.84Å; E232-S236 PolarHBondContact O-N 3.18Å; E232-K237 HydrophobicContact CB-CB 4.3Å; E232-K237 WeakPolarHBondContact O-CB 3.21Å; E232-K237 PolarHBondContact O-N 2.75Å; E232-V243 HydrophobicContact CG-CG1 4.09Å; E232-V243 WeakPolarHBondContact OE1-CG1 3.35Å; E232-R304 IonicContact OE1-CZ 3.26Å; E232-R304 IonicContact OE1-NH1 3.95Å; E232-R304 PolarHBondContact OE1-NH1 2.99Å; E232-R304 IonicContact OE1-NH2 3.75Å; E232-R304 PolarHBondContact OE1-NH2 3.27Å; E232-R304 IonicContact OE2-CZ 3.68Å; E232-R304 IonicContact OE2-NH1 3.59Å; E232-R304 IonicContact OE2-NH2 2.74Å; E232-R304 PolarHBondContact OE2-NH2 2.77Å
233	I	96.9	Very high	95.8	Very high	7 Å²	7	23 Å²	23	4%	0.036	13%	0.125	C	C	.	.	H	α-helix	trans	-71.6	-45.2	172.7	-61	172.6	0	0	0	109.4	M222 L229 A230 P231 Q235 S236 Y239 V243	M222-I233 HydrophobicContact CG-CG2 3.99Å; L229-I233 HydrophobicContact CD2-CD1 4.31Å; L229-I233 HydrophobicContact CD2-CG2 4.07Å; A230-I233 HydrophobicContact CB-CD1 4.33Å; A230-I233 HydrophobicContact CB-CG1 4.43Å; A230-I233 WeakPolarHBondContact O-CB 3.26Å; A230-I233 PolarHBondContact O-N 3.24Å; P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 2.78Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.45Å; I233-S236 PolarHBondContact O-N 2.7Å; I233-Y239 HydrophobicContact CD1-CD2 4.44Å; I233-Y239 HydrophobicContact CD1-CE2 4.35Å; I233-Y239 HydrophobicContact CG1-CD1 3.74Å; I233-Y239 HydrophobicContact CG1-CD2 4.16Å; I233-Y239 HydrophobicContact CG1-CE1 3.94Å; I233-Y239 HydrophobicContact CG1-CE2 4.33Å; I233-Y239 HydrophobicContact CG1-CG 3.85Å; I233-V243 HydrophobicContact CD1-CB 3.84Å; I233-V243 HydrophobicContact CD1-CG1 3.73Å; I233-V243 HydrophobicContact CD1-CG2 4.24Å; I233-V243 HydrophobicContact CG1-CG1 3.85Å
234	I	96.4	Very high	96.2	Very high	25 Å²	25	22.9 Å²	22.9	13%	0.128	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-39.7	179.4	-64.9	171.6	0	0	0	111.1	L229 A230 P231 S236 Y271 I274 V275	L229-I234 HydrophobicContact CB-CD1 4.09Å; L229-I234 HydrophobicContact CB-CG1 3.92Å; L229-I234 HydrophobicContact CD1-CG1 4.2Å; A230-I234 PolarHBondContact O-N 3.43Å; P231-I234 PolarHBondContact O-N 3.26Å; I234-S236 PolarHBondContact O-N 2.98Å; I234-Y271 HydrophobicContact CD1-CD1 3.69Å; I234-Y271 HydrophobicContact CD1-CE1 4.42Å; I234-Y271 HydrophobicContact CD1-CG 4.17Å; I234-Y271 HydrophobicContact CG1-CD1 4.14Å; I234-Y271 HydrophobicContact CG1-CG 4.46Å; I234-Y271 HydrophobicContact CG2-CG 4.12Å; I234-I274 HydrophobicContact CD1-CB 3.73Å; I234-I274 HydrophobicContact CD1-CD1 3.75Å; I234-I274 HydrophobicContact CD1-CG1 4.34Å; I234-I274 HydrophobicContact CD1-CG2 3.45Å; I234-I274 VanDerWaalsContact CD1-CG2 3.45Å; I234-V275 HydrophobicContact CB-CG2 4.28Å; I234-V275 HydrophobicContact CG2-CG2 3.83Å
235	Q	95.1	Very high	96.5	Very high	82 Å²	82	23 Å²	23	38%	0.383	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	7.7	177.6	-67.5	178.9	-22.4	0	0	113.6	P231 I233 K237 V275	P231-Q235 WeakPolarHBondContact O-CB 3.46Å; P231-Q235 VanDerWaalsContact O-CG 3.29Å; P231-Q235 WeakPolarHBondContact O-CG 3.28Å; P231-Q235 PolarHBondContact O-N 2.83Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.45Å; Q235-K237 HydrophobicContact CB-CD 4.21Å; Q235-K237 HydrophobicContact CB-CG 4.16Å; Q235-K237 PolarHBondContact O-N 2.9Å; Q235-K237 VanDerWaalsContact O-N 3.12Å; Q235-K237 VanDerWaalsContact OE1-CE 3.31Å; Q235-V275 HydrophobicContact CG-CG2 4.12Å; Q235-V275 VanDerWaalsContact NE2-CG1 3.31Å
236	S	93.8	Very high	96.7	Very high	91 Å²	91	22.6 Å²	22.6	64%	0.636	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	30.8	-179.4	-51.8	0	0	0	0	114	E232 I233 I234	E232-S236 PolarHBondContact O-N 3.18Å; I233-S236 PolarHBondContact O-N 2.7Å; I234-S236 PolarHBondContact O-N 2.98Å
237	K	93.8	Very high	96.9	Very high	114 Å²	114	22.9 Å²	22.9	50%	0.496	12%	0.124	S	C	.	.			trans	-84.4	153.1	175.2	-67.3	174.3	177.7	168.1	0	109.7	E232 Q235 Y239	E232-K237 HydrophobicContact CB-CB 4.3Å; E232-K237 WeakPolarHBondContact O-CB 3.21Å; E232-K237 PolarHBondContact O-N 2.75Å; Q235-K237 HydrophobicContact CB-CD 4.21Å; Q235-K237 HydrophobicContact CB-CG 4.16Å; Q235-K237 PolarHBondContact O-N 2.9Å; Q235-K237 VanDerWaalsContact O-N 3.12Å; Q235-K237 VanDerWaalsContact OE1-CE 3.31Å; K237-Y239 PolarHBondContact O-N 3.21Å
238	G	93.3	Very high	97	Very high	15 Å²	15	21.2 Å²	21.2	16%	0.155	12%	0.117	C	C	.	.			trans	-59.8	125.1	168.3	0	0	0	0	0	109.9	R218 T219 Y220	R218-G238 WeakPolarHBondContact CD-O 3.33Å; R218-G238 PolarHBondContact NH1-O 2.88Å; T219-G238 WeakPolarHBondContact O-CA 3.47Å; Y220-G238 VanDerWaalsContact CD1-CA 3.48Å
239	Y	96.3	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-123.8	158.5	-175.8	66.1	-94	0	0	0	111.6	R188 R218 T219 T221 I233 K237 V243	R188-Y239 WeakPolarHBondContact CD-OH 3.23Å; R188-Y239 HydrophobicContact CG-CE2 4.36Å; R188-Y239 PolarHBondContact NH1-OH 2.73Å; R218-Y239 CarbonylContact C-O 3.57Å; R218-Y239 VanDerWaalsContact CA-O 3.27Å; R218-Y239 WeakPolarHBondContact CA-O 3.47Å; T219-Y239 HydrophobicContact CG2-CD2 4.04Å; T219-Y239 HydrophobicContact CG2-CE1 4.01Å; T219-Y239 HydrophobicContact CG2-CE2 3.38Å; T219-Y239 WeakPolarHBondContact CG2-OH 3.5Å; T219-Y239 PolarHBondContact N-O 3.06Å; T219-Y239 VanDerWaalsContact O-CD1 3.27Å; T219-Y239 WeakPolarHBondContact O-CD1 3.27Å; T219-Y239 PolarHBondContact O-N 2.9Å; T221-Y239 WeakPolarHBondContact O-CE1 3.35Å; T221-Y239 PolarHBondContact O-OH 2.86Å; I233-Y239 HydrophobicContact CD1-CD2 4.44Å; I233-Y239 HydrophobicContact CD1-CE2 4.35Å; I233-Y239 HydrophobicContact CG1-CD1 3.74Å; I233-Y239 HydrophobicContact CG1-CD2 4.16Å; I233-Y239 HydrophobicContact CG1-CE1 3.94Å; I233-Y239 HydrophobicContact CG1-CE2 4.33Å; I233-Y239 HydrophobicContact CG1-CG 3.85Å; K237-Y239 PolarHBondContact O-N 3.21Å; Y239-V243 HydrophobicContact CD2-CB 4.39Å; Y239-V243 HydrophobicContact CD2-CG1 3.56Å; Y239-V243 HydrophobicContact CD2-CG2 3.95Å; Y239-V243 HydrophobicContact CE2-CG1 4.44Å; Y239-V243 HydrophobicContact CE2-CG2 4.19Å; Y239-V243 HydrophobicContact CG-CG1 3.91Å
240	G	95.6	Very high	97	Very high	11 Å²	11	20.3 Å²	20.3	11%	0.113	11%	0.113	C	C	.	.			trans	-126.8	-153	-178.7	0	0	0	0	0	112.1	N217 G242 V243	N217-G240 WeakPolarHBondContact O-CA 3.24Å; G240-G242 PolarHBondContact O-N 2.91Å; G240-G242 VanDerWaalsContact O-N 3.1Å; G240-V243 WeakPolarHBondContact O-CG2 3.38Å; G240-V243 PolarHBondContact O-N 3.33Å
241	K	96.9	Very high	97.1	Very high	48 Å²	48	20.3 Å²	20.3	21%	0.209	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	-178.7	-64.1	170.2	-174.9	176.5	0	114.2	H181 D184 V186 I214 V243 D244	H181-K241 HydrophobicContact CB-CD 3.84Å; H181-K241 HydrophobicContact CB-CG 4.43Å; H181-K241 PolarHBondContact CE1-O 3.46Å; H181-K241 VanDerWaalsContact CE1-O 3.24Å; H181-K241 WeakPolarHBondContact O-CE 3.21Å; H181-K241 PolarHBondContact O-NZ 2.99Å; D184-K241 IonicContact OD1-NZ 3.85Å; D184-K241 PolarHBondContact OD1-NZ 3.37Å; V186-K241 HydrophobicContact CG2-CG 3.98Å; I214-K241 HydrophobicContact CD1-CG 4.14Å; K241-V243 PolarHBondContact O-N 3.5Å; K241-V243 VanDerWaalsContact O-N 3.15Å; K241-D244 WeakPolarHBondContact O-CB 3.38Å; K241-D244 PolarHBondContact O-N 3.11Å; K241-D244 VanDerWaalsContact O-N 3.16Å
242	G	97.4	Very high	97.1	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-20	-178.5	0	0	0	0	0	116.3	G240 D244 W245 W246 R304 C307	G240-G242 PolarHBondContact O-N 2.91Å; G240-G242 VanDerWaalsContact O-N 3.1Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3.33Å; G242-W245 PolarHBondContact O-N 2.97Å; G242-W246 PolarHBondContact O-N 3.33Å; G242-W246 VanDerWaalsContact O-N 3.12Å; G242-R304 WeakPolarHBondContact O-CD 3.35Å; G242-R304 PolarHBondContact O-NH1 3.48Å; G242-C307 WeakPolarHBondContact CA-SG 3.42Å
243	V	98.2	Very high	97.2	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-30.5	177.3	-55.6	0	0	0	0	111.9	V186 R188 A230 E232 I233 Y239 G240 K241 W245 W246 A247	V186-V243 HydrophobicContact CG1-CG2 3.7Å; R188-V243 HydrophobicContact CG-CG2 4.43Å; A230-V243 HydrophobicContact CB-CB 4Å; A230-V243 HydrophobicContact CB-CG1 3.84Å; E232-V243 HydrophobicContact CG-CG1 4.09Å; E232-V243 WeakPolarHBondContact OE1-CG1 3.35Å; I233-V243 HydrophobicContact CD1-CB 3.84Å; I233-V243 HydrophobicContact CD1-CG1 3.73Å; I233-V243 HydrophobicContact CD1-CG2 4.24Å; I233-V243 HydrophobicContact CG1-CG1 3.85Å; Y239-V243 HydrophobicContact CD2-CB 4.39Å; Y239-V243 HydrophobicContact CD2-CG1 3.56Å; Y239-V243 HydrophobicContact CD2-CG2 3.95Å; Y239-V243 HydrophobicContact CE2-CG1 4.44Å; Y239-V243 HydrophobicContact CE2-CG2 4.19Å; Y239-V243 HydrophobicContact CG-CG1 3.91Å; G240-V243 WeakPolarHBondContact O-CG2 3.38Å; G240-V243 PolarHBondContact O-N 3.33Å; K241-V243 PolarHBondContact O-N 3.5Å; K241-V243 VanDerWaalsContact O-N 3.15Å; V243-W245 VanDerWaalsContact C-N 3.34Å; V243-W246 WeakPolarHBondContact O-CB 3.03Å; V243-W246 PolarHBondContact O-N 3.06Å; V243-A247 WeakPolarHBondContact O-CB 3.42Å; V243-A247 PolarHBondContact O-N 3.24Å
244	D	98.6	Very high	97.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-69.9	-34.1	175.5	-71.4	-20.4	0	0	0	110.9	F177 H181 V186 Y187 R188 K241 G242 A247 T248	F177-D244 HydrophobicContact CD2-CB 3.72Å; F177-D244 HydrophobicContact CE2-CB 3.59Å; F177-D244 WeakPolarHBondContact CE2-O 3.35Å; F177-D244 HydrophobicContact CG-CB 4.39Å; F177-D244 HydrophobicContact CZ-CB 4.19Å; H181-D244 IonicContact CD2-OD2 3.34Å; H181-D244 IonicContact CE1-OD2 2.84Å; H181-D244 IonicContact NE2-OD2 3.4Å; H181-D244 PolarHBondContact NE2-OD2 3.25Å; V186-D244 WeakPolarHBondContact CA-OD2 3.4Å; V186-D244 WeakPolarHBondContact CG1-OD2 3.5Å; Y187-D244 PolarHBondContact N-OD1 3.29Å; Y187-D244 PolarHBondContact N-OD2 3.19Å; R188-D244 PolarHBondContact N-OD1 2.63Å; K241-D244 WeakPolarHBondContact O-CB 3.38Å; K241-D244 PolarHBondContact O-N 3.11Å; K241-D244 VanDerWaalsContact O-N 3.16Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3.33Å; D244-A247 PolarHBondContact O-N 2.74Å; D244-T248 WeakPolarHBondContact O-CB 3.28Å; D244-T248 PolarHBondContact O-N 2.81Å; D244-T248 PolarHBondContact O-OG1 2.91Å
245	W	98.8	Very high	97.4	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.019	11%	0.107	C	C	.	.	H	α-helix	trans	-71.9	-36.5	175.4	-61.1	127.5	0	0	0	112.9	V174 F177 H181 G242 V243 T248 G249 L296 Y305 I312 I315	V174-W245 HydrophobicContact CG2-CZ3 4.26Å; F177-W245 HydrophobicContact CB-CH2 3.49Å; F177-W245 VanDerWaalsContact CB-CH2 3.49Å; F177-W245 HydrophobicContact CB-CZ2 4.04Å; F177-W245 HydrophobicContact CB-CZ3 3.91Å; F177-W245 HydrophobicContact CD2-CE3 4.41Å; F177-W245 HydrophobicContact CD2-CZ3 4.16Å; H181-W245 AromaticContact CE1-CE2 3.6Å; H181-W245 AromaticContact CE1-CZ2 3.78Å; H181-W245 AromaticContact CE1-NE1 3.47Å; H181-W245 PolarHBondContact CE1-NE1 2.85Å; H181-W245 AromaticContact ND1-CE2 3.6Å; H181-W245 AromaticContact ND1-CZ2 3.52Å; H181-W245 AromaticContact ND1-NE1 3.39Å; H181-W245 PolarHBondContact ND1-NE1 2.66Å; G242-W245 PolarHBondContact O-N 2.97Å; V243-W245 VanDerWaalsContact C-N 3.34Å; W245-T248 WeakPolarHBondContact O-CB 3.35Å; W245-T248 PolarHBondContact O-N 2.77Å; W245-G249 PolarHBondContact O-N 2.72Å; W245-G249 VanDerWaalsContact O-N 3.11Å; W245-L296 HydrophobicContact CB-CD2 4.35Å; W245-Y305 WeakPolarHBondContact CB-O 3.22Å; W245-I312 HydrophobicContact CH2-CD1 3.25Å; W245-I312 HydrophobicContact CZ2-CD1 3.55Å; W245-I312 HydrophobicContact CZ3-CD1 3.99Å; W245-I315 HydrophobicContact CD2-CD1 3.56Å; W245-I315 HydrophobicContact CE3-CD1 3.35Å; W245-I315 HydrophobicContact CG-CD1 4.16Å; W245-I315 HydrophobicContact CH2-CD1 4.25Å; W245-I315 HydrophobicContact CZ2-CD1 4.41Å; W245-I315 HydrophobicContact CZ3-CD1 3.72Å
246	W	98.7	Very high	97.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-52.7	168.2	172.5	-84.9	0	0	0	110.6	L229 A230 P231 G242 V243 T248 G249 I250 F262 I274 I297 I299	L229-W246 PolarHBondContact O-NE1 3.44Å; L229-W246 VanDerWaalsContact O-NE1 3.11Å; A230-W246 HydrophobicContact CB-CB 3.98Å; A230-W246 HydrophobicContact CB-CD2 4.29Å; A230-W246 HydrophobicContact CB-CG 3.79Å; P231-W246 HydrophobicContact CG-CE3 4.25Å; P231-W246 HydrophobicContact CG-CH2 3.63Å; P231-W246 HydrophobicContact CG-CZ2 4.1Å; P231-W246 HydrophobicContact CG-CZ3 3.72Å; G242-W246 PolarHBondContact O-N 3.33Å; G242-W246 VanDerWaalsContact O-N 3.12Å; V243-W246 WeakPolarHBondContact O-CB 3.03Å; V243-W246 PolarHBondContact O-N 3.06Å; W246-T248 PolarHBondContact O-N 2.64Å; W246-G249 WeakPolarHBondContact O-CA 3.48Å; W246-G249 PolarHBondContact O-N 2.76Å; W246-I250 HydrophobicContact CZ2-CD1 4.28Å; W246-I250 PolarHBondContact O-N 2.86Å; W246-F262 AromaticContact CH2-CE2 3.93Å; W246-F262 HydrophobicContact CH2-CE2 3.93Å; W246-F262 HydrophobicContact CH2-CZ 4.13Å; W246-F262 HydrophobicContact CZ2-CD2 4.27Å; W246-F262 AromaticContact CZ2-CE2 3.57Å; W246-F262 HydrophobicContact CZ2-CE2 3.57Å; W246-F262 HydrophobicContact CZ2-CZ 4.23Å; W246-I274 HydrophobicContact CH2-CG2 4.36Å; W246-I274 HydrophobicContact CZ2-CG2 3.78Å; W246-I297 HydrophobicContact CD2-CG2 4.42Å; W246-I297 HydrophobicContact CE3-CG2 4.05Å; W246-I297 HydrophobicContact CH2-CG2 3.42Å; W246-I297 VanDerWaalsContact CH2-CG2 3.42Å; W246-I297 HydrophobicContact CZ2-CG2 3.82Å; W246-I297 HydrophobicContact CZ3-CB 4.31Å; W246-I297 HydrophobicContact CZ3-CG2 3.56Å; W246-I299 HydrophobicContact CH2-CD1 3.68Å; W246-I299 HydrophobicContact CZ3-CD1 3.84Å
247	A	98.8	Very high	97.8	Very high	6 Å²	6	12.9 Å²	12.9	5%	0.05	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-33.8	179.9	0	0	0	0	0	112	L190 Y228 V243 D244 G249 I250 L251	L190-A247 HydrophobicContact CB-CB 3.9Å; L190-A247 HydrophobicContact CD2-CB 4.14Å; Y228-A247 HydrophobicContact CD1-CB 4.07Å; V243-A247 WeakPolarHBondContact O-CB 3.42Å; V243-A247 PolarHBondContact O-N 3.24Å; D244-A247 PolarHBondContact O-N 2.74Å; A247-G249 VanDerWaalsContact C-N 3.35Å; A247-I250 PolarHBondContact O-N 2.76Å; A247-L251 WeakPolarHBondContact O-CB 3.29Å; A247-L251 PolarHBondContact O-N 3.01Å
248	T	98.9	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-41.5	172.6	-57	0	0	0	0	111.4	V173 V174 F177 D244 W245 W246 L251 I252	V173-T248 HydrophobicContact CG1-CG2 4.38Å; V174-T248 HydrophobicContact CG2-CG2 4.45Å; F177-T248 WeakPolarHBondContact CE2-OG1 3.42Å; D244-T248 WeakPolarHBondContact O-CB 3.28Å; D244-T248 PolarHBondContact O-N 2.81Å; D244-T248 PolarHBondContact O-OG1 2.91Å; W245-T248 WeakPolarHBondContact O-CB 3.35Å; W245-T248 PolarHBondContact O-N 2.77Å; W246-T248 PolarHBondContact O-N 2.64Å; T248-L251 PolarHBondContact O-N 3.04Å; T248-I252 HydrophobicContact CG2-CD1 4.07Å; T248-I252 VanDerWaalsContact O-CG1 3.29Å; T248-I252 WeakPolarHBondContact O-CG1 3.4Å; T248-I252 PolarHBondContact O-N 3.46Å
249	G	98.8	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.7	-44.2	172.9	0	0	0	0	0	112.7	W245 W246 A247 L251 I252 Y253 L293	W245-G249 PolarHBondContact O-N 2.72Å; W245-G249 VanDerWaalsContact O-N 3.11Å; W246-G249 WeakPolarHBondContact O-CA 3.48Å; W246-G249 PolarHBondContact O-N 2.76Å; A247-G249 VanDerWaalsContact C-N 3.35Å; G249-L251 VanDerWaalsContact C-N 3.35Å; G249-L251 PolarHBondContact O-N 2.92Å; G249-I252 PolarHBondContact O-N 3.01Å; G249-Y253 WeakPolarHBondContact O-CB 3.27Å; G249-Y253 PolarHBondContact O-N 3.45Å; G249-L293 WeakPolarHBondContact O-CD2 3.29Å
250	I	98.8	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175	-56.9	-57	0	0	0	110.9	Y228 W246 A247 Y253 E254 V260 P261 F262 I297	Y228-I250 HydrophobicContact CD1-CB 3.79Å; Y228-I250 HydrophobicContact CD1-CG2 3.68Å; Y228-I250 HydrophobicContact CD2-CG2 4.24Å; Y228-I250 HydrophobicContact CE1-CB 3.82Å; Y228-I250 HydrophobicContact CE1-CG2 3.57Å; Y228-I250 HydrophobicContact CE2-CG2 4.11Å; Y228-I250 HydrophobicContact CG-CG2 4.03Å; W246-I250 HydrophobicContact CZ2-CD1 4.28Å; W246-I250 PolarHBondContact O-N 2.86Å; A247-I250 PolarHBondContact O-N 2.76Å; I250-Y253 PolarHBondContact O-N 2.94Å; I250-E254 WeakPolarHBondContact O-CB 3.49Å; I250-E254 PolarHBondContact O-N 3.05Å; I250-V260 HydrophobicContact CG2-CB 4.47Å; I250-V260 HydrophobicContact CG2-CG1 4.23Å; I250-P261 HydrophobicContact CD1-CG 3.53Å; I250-F262 HydrophobicContact CD1-CD2 4.04Å; I250-F262 HydrophobicContact CD1-CE2 3.87Å; I250-I297 HydrophobicContact CD1-CD1 4.22Å; I250-I297 HydrophobicContact CD1-CG1 4.47Å; I250-I297 HydrophobicContact CD1-CG2 4.32Å
251	L	98.9	Very high	98.2	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-46.9	178.6	-179	68.1	0	0	0	112	V173 L190 P192 L195 Y228 A247 T248 G249 Y253 E254 M255	V173-L251 HydrophobicContact CG2-CD2 3.95Å; L190-L251 HydrophobicContact CD1-CD2 4.14Å; L190-L251 HydrophobicContact CD2-CB 4.21Å; L190-L251 HydrophobicContact CD2-CD2 3.98Å; L190-L251 HydrophobicContact CG-CD2 4.21Å; P192-L251 HydrophobicContact CG-CD1 3.78Å; L195-L251 HydrophobicContact CD1-CD1 4.21Å; L195-L251 HydrophobicContact CD1-CD2 3.6Å; Y228-L251 HydrophobicContact CE1-CB 4.04Å; A247-L251 WeakPolarHBondContact O-CB 3.29Å; A247-L251 PolarHBondContact O-N 3.01Å; T248-L251 PolarHBondContact O-N 3.04Å; G249-L251 VanDerWaalsContact C-N 3.35Å; G249-L251 PolarHBondContact O-N 2.92Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 3.27Å; L251-E254 PolarHBondContact O-N 2.77Å; L251-M255 HydrophobicContact CD1-CG 4.44Å; L251-M255 HydrophobicContact CD2-CE 4.21Å; L251-M255 HydrophobicContact CG-CE 3.82Å; L251-M255 WeakPolarHBondContact O-CG 3.3Å; L251-M255 PolarHBondContact O-N 3.18Å
252	I	98.9	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.3	-45.6	177.6	-69.5	166.8	0	0	0	110.2	V166 T248 G249 M256 L289 L292 L293 L296 W320	V166-I252 HydrophobicContact CG1-CB 4.46Å; V166-I252 HydrophobicContact CG1-CG2 3.99Å; T248-I252 HydrophobicContact CG2-CD1 4.07Å; T248-I252 VanDerWaalsContact O-CG1 3.29Å; T248-I252 WeakPolarHBondContact O-CG1 3.4Å; T248-I252 PolarHBondContact O-N 3.46Å; G249-I252 PolarHBondContact O-N 3.01Å; I252-M256 WeakPolarHBondContact O-CB 3.15Å; I252-M256 WeakPolarHBondContact O-CG 3.47Å; I252-M256 PolarHBondContact O-N 3.5Å; I252-M256 VanDerWaalsContact O-N 3.12Å; I252-L289 HydrophobicContact CG2-CD1 3.59Å; I252-L292 HydrophobicContact CD1-CD2 4.27Å; I252-L293 HydrophobicContact CB-CD2 4.01Å; I252-L293 HydrophobicContact CG2-CD2 3.8Å; I252-L296 HydrophobicContact CD1-CD1 3.88Å; I252-W320 HydrophobicContact CG2-CH2 4.2Å
253	Y	98.8	Very high	98.1	Very high	14 Å²	14	12.6 Å²	12.6	6%	0.055	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-48.9	176.1	-175.8	-73	0	0	0	110.7	G249 I250 L251 M255 M256 A257 Q259 P261 F279 R280 M281 F285 L293	G249-Y253 WeakPolarHBondContact O-CB 3.27Å; G249-Y253 PolarHBondContact O-N 3.45Å; I250-Y253 PolarHBondContact O-N 2.94Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 3.27Å; Y253-M255 PolarHBondContact O-N 2.68Å; Y253-M256 PolarHBondContact O-N 3.49Å; Y253-A257 HydrophobicContact CD1-CB 3.94Å; Y253-A257 HydrophobicContact CE1-CB 3.55Å; Y253-A257 WeakPolarHBondContact O-CB 3.26Å; Y253-A257 PolarHBondContact O-N 3.43Å; Y253-Q259 WeakPolarHBondContact CD1-O 3.47Å; Y253-Q259 WeakPolarHBondContact CE1-O 3.48Å; Y253-P261 HydrophobicContact CD1-CB 3.87Å; Y253-P261 VanDerWaalsContact CD1-CD 3.49Å; Y253-P261 HydrophobicContact CD1-CG 4.05Å; Y253-P261 HydrophobicContact CD2-CB 3.89Å; Y253-P261 HydrophobicContact CD2-CG 4.36Å; Y253-P261 HydrophobicContact CE1-CB 3.82Å; Y253-P261 HydrophobicContact CE1-CG 4.47Å; Y253-P261 HydrophobicContact CE2-CB 3.84Å; Y253-P261 HydrophobicContact CG-CB 3.93Å; Y253-P261 HydrophobicContact CG-CG 4.02Å; Y253-F279 HydrophobicContact CD2-CD2 4.09Å; Y253-F279 HydrophobicContact CD2-CE2 4.22Å; Y253-F279 AromaticContact CE2-CD2 3.89Å; Y253-F279 HydrophobicContact CE2-CD2 3.89Å; Y253-F279 HydrophobicContact CE2-CE2 4.38Å; Y253-R280 WeakPolarHBondContact CE2-O 3.47Å; Y253-R280 PolarHBondContact OH-O 2.99Å; Y253-M281 HydrophobicContact CE2-CG 4.41Å; Y253-F285 HydrophobicContact CD2-CE2 4.03Å; Y253-F285 HydrophobicContact CE2-CE2 4.19Å; Y253-L293 HydrophobicContact CD2-CD1 4.1Å
254	E	98.6	Very high	97.9	Very high	7 Å²	7	13 Å²	13	3%	0.033	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-42.6	-177.1	-167.4	-179.8	-173.1	0	0	111.7	L155 R156 Y228 I250 L251 M256 G258 Q259 V260 Y398	L155-E254 HydrophobicContact CD2-CG 4.03Å; R156-E254 IonicContact CZ-OE1 3.04Å; R156-E254 IonicContact NH2-OE1 3.24Å; R156-E254 PolarHBondContact NH2-OE1 3.3Å; Y228-E254 PolarHBondContact OH-OE2 3.05Å; I250-E254 WeakPolarHBondContact O-CB 3.49Å; I250-E254 PolarHBondContact O-N 3.05Å; L251-E254 PolarHBondContact O-N 2.77Å; E254-M256 VanDerWaalsContact C-N 3.31Å; E254-M256 PolarHBondContact O-N 3.13Å; E254-G258 CarbonylContact O-C 3.59Å; E254-G258 WeakPolarHBondContact O-CA 3.33Å; E254-G258 PolarHBondContact O-N 2.63Å; E254-Q259 WeakPolarHBondContact CA-O 3.4Å; E254-V260 HydrophobicContact CB-CG1 4.16Å; E254-V260 HydrophobicContact CG-CG1 3.92Å; E254-Y398 PolarHBondContact OE1-OH 3.12Å
255	M	98.7	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-37.1	176.1	-71.8	-169.9	-70.6	0	0	112.4	L151 L155 R160 F161 V166 Y169 L251 Y253	L151-M255 HydrophobicContact CD2-SD 3.96Å; L155-M255 HydrophobicContact CD2-CG 4.41Å; R160-M255 WeakPolarHBondContact CA-O 3.42Å; F161-M255 HydrophobicContact CD2-CB 3.88Å; F161-M255 HydrophobicContact CD2-CG 3.89Å; F161-M255 HydrophobicContact CD2-SD 3.88Å; F161-M255 HydrophobicContact CE2-CB 4.48Å; F161-M255 HydrophobicContact CE2-CG 4.02Å; F161-M255 HydrophobicContact CE2-SD 3.97Å; F161-M255 PolarHBondContact N-O 3.36Å; V166-M255 HydrophobicContact CB-CB 4.45Å; V166-M255 HydrophobicContact CG1-CB 3.99Å; V166-M255 HydrophobicContact CG1-CE 3.71Å; V166-M255 HydrophobicContact CG2-CB 3.74Å; Y169-M255 HydrophobicContact CD2-SD 4.42Å; L251-M255 HydrophobicContact CD1-CG 4.44Å; L251-M255 HydrophobicContact CD2-CE 4.21Å; L251-M255 HydrophobicContact CG-CE 3.82Å; L251-M255 WeakPolarHBondContact O-CG 3.3Å; L251-M255 PolarHBondContact O-N 3.18Å; Y253-M255 PolarHBondContact O-N 2.68Å
256	M	98.3	Very high	97.5	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.069	13%	0.128	C	C	.	.	H	α-helix	trans	-79.5	-37.9	-179.4	-77.1	-64.9	-58.4	0	0	114	E163 V166 I252 Y253 E254 F285 L289	E163-M256 HydrophobicContact CB-CE 3.99Å; E163-M256 HydrophobicContact CB-SD 3.98Å; E163-M256 HydrophobicContact CG-CE 4.18Å; E163-M256 HydrophobicContact CG-SD 4.15Å; V166-M256 HydrophobicContact CB-CG 4.17Å; V166-M256 HydrophobicContact CB-SD 3.96Å; V166-M256 HydrophobicContact CG1-CG 3.92Å; V166-M256 HydrophobicContact CG1-SD 4.37Å; V166-M256 HydrophobicContact CG2-CG 3.8Å; V166-M256 HydrophobicContact CG2-SD 3.47Å; V166-M256 WeakPolarHBondContact CG2-SD 3.46Å; I252-M256 WeakPolarHBondContact O-CB 3.15Å; I252-M256 WeakPolarHBondContact O-CG 3.47Å; I252-M256 PolarHBondContact O-N 3.5Å; I252-M256 VanDerWaalsContact O-N 3.12Å; Y253-M256 PolarHBondContact O-N 3.49Å; E254-M256 VanDerWaalsContact C-N 3.31Å; E254-M256 PolarHBondContact O-N 3.13Å; M256-F285 HydrophobicContact CB-CD1 4.41Å; M256-F285 HydrophobicContact CB-CE1 3.54Å; M256-F285 HydrophobicContact CB-CE2 4.17Å; M256-F285 HydrophobicContact CB-CZ 3.38Å; M256-F285 HydrophobicContact CE-CD1 4.16Å; M256-F285 HydrophobicContact CE-CE1 4.26Å; M256-F285 HydrophobicContact CG-CZ 4.49Å; M256-L289 HydrophobicContact CB-CD2 4.24Å; M256-L289 HydrophobicContact CE-CD2 3.64Å; M256-L289 HydrophobicContact CG-CD2 3.64Å; M256-L289 HydrophobicContact SD-CD2 4.13Å
257	A	97.8	Very high	97.2	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	15%	0.145	C	C	.	.	H	α-helix	trans	-93.9	-20.9	-177	0	0	0	0	0	113.2	Y253 Q259 F285	Y253-A257 HydrophobicContact CD1-CB 3.94Å; Y253-A257 HydrophobicContact CE1-CB 3.55Å; Y253-A257 WeakPolarHBondContact O-CB 3.26Å; Y253-A257 PolarHBondContact O-N 3.43Å; A257-Q259 HydrophobicContact CB-CG 4.33Å; A257-Q259 PolarHBondContact O-N 3.32Å; A257-F285 HydrophobicContact CB-CE1 4.44Å; A257-F285 HydrophobicContact CB-CZ 3.95Å
258	G	96.7	Very high	97.1	Very high	10 Å²	10	31.5 Å²	31.5	10%	0.103	18%	0.176	C	C	.	.	S	Bend	trans	79.9	-4.2	-169.1	0	0	0	0	0	114.8	K159 E254 Y398	K159-G258 WeakPolarHBondContact O-CA 3.47Å; E254-G258 CarbonylContact O-C 3.59Å; E254-G258 WeakPolarHBondContact O-CA 3.33Å; E254-G258 PolarHBondContact O-N 2.63Å; G258-Y398 VanDerWaalsContact O-CE1 3.24Å; G258-Y398 WeakPolarHBondContact O-CE1 3.2Å; G258-Y398 PolarHBondContact O-OH 3.41Å
259	Q	96.5	Very high	97	Very high	86 Å²	86	35 Å²	35	40%	0.402	20%	0.197	S	C	.	.	S	Bend	trans	-145.4	156.2	-179.5	64.2	-180	-20.6	0	0	111.5	Y253 E254 A257 Y398	Y253-Q259 WeakPolarHBondContact CD1-O 3.47Å; Y253-Q259 WeakPolarHBondContact CE1-O 3.48Å; E254-Q259 WeakPolarHBondContact CA-O 3.4Å; A257-Q259 HydrophobicContact CB-CG 4.33Å; A257-Q259 PolarHBondContact O-N 3.32Å; Q259-Y398 WeakPolarHBondContact CA-OH 3.5Å; Q259-Y398 HydrophobicContact CB-CD1 4.41Å; Q259-Y398 HydrophobicContact CB-CE1 3.69Å; Q259-Y398 HydrophobicContact CB-CE2 4.42Å
260	V	97.6	Very high	96.9	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.042	20%	0.198	C	C	.	.			trans	-75.2	150.8	179.1	-61.1	0	0	0	0	112	E227 Y228 I250 E254 F262	E227-V260 HydrophobicContact CB-CB 4.45Å; E227-V260 HydrophobicContact CB-CG1 4.15Å; E227-V260 HydrophobicContact CB-CG2 4.13Å; E227-V260 HydrophobicContact CG-CG2 4Å; Y228-V260 HydrophobicContact CE2-CG1 4.29Å; I250-V260 HydrophobicContact CG2-CB 4.47Å; I250-V260 HydrophobicContact CG2-CG1 4.23Å; E254-V260 HydrophobicContact CB-CG1 4.16Å; E254-V260 HydrophobicContact CG-CG1 3.92Å; V260-F262 PolarHBondContact O-N 3.11Å
261	P	97.8	Very high	96.9	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.123	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.6	-171.3	23.7	-30.5	0	0	0	114.8	I250 Y253 F279 I297	I250-P261 HydrophobicContact CD1-CG 3.53Å; Y253-P261 HydrophobicContact CD1-CB 3.87Å; Y253-P261 VanDerWaalsContact CD1-CD 3.49Å; Y253-P261 HydrophobicContact CD1-CG 4.05Å; Y253-P261 HydrophobicContact CD2-CB 3.89Å; Y253-P261 HydrophobicContact CD2-CG 4.36Å; Y253-P261 HydrophobicContact CE1-CB 3.82Å; Y253-P261 HydrophobicContact CE1-CG 4.47Å; Y253-P261 HydrophobicContact CE2-CB 3.84Å; Y253-P261 HydrophobicContact CG-CB 3.93Å; Y253-P261 HydrophobicContact CG-CG 4.02Å; P261-F279 HydrophobicContact CB-CB 3.76Å; P261-F279 HydrophobicContact CB-CD2 4.01Å; P261-F279 HydrophobicContact CB-CG 4.09Å; P261-I297 HydrophobicContact CG-CD1 4.47Å
262	F	97.6	Very high	96.8	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	20.2	-173.3	-56.6	-69.4	0	0	0	114	W246 I250 V260 A264 M270 K273 I274 F279 I297	W246-F262 AromaticContact CH2-CE2 3.93Å; W246-F262 HydrophobicContact CH2-CE2 3.93Å; W246-F262 HydrophobicContact CH2-CZ 4.13Å; W246-F262 HydrophobicContact CZ2-CD2 4.27Å; W246-F262 AromaticContact CZ2-CE2 3.57Å; W246-F262 HydrophobicContact CZ2-CE2 3.57Å; W246-F262 HydrophobicContact CZ2-CZ 4.23Å; I250-F262 HydrophobicContact CD1-CD2 4.04Å; I250-F262 HydrophobicContact CD1-CE2 3.87Å; V260-F262 PolarHBondContact O-N 3.11Å; F262-A264 PolarHBondContact O-N 3.07Å; F262-M270 WeakPolarHBondContact O-CG 3.14Å; F262-K273 HydrophobicContact CB-CB 4.2Å; F262-K273 HydrophobicContact CD1-CB 4.12Å; F262-I274 HydrophobicContact CB-CG1 3.64Å; F262-I274 HydrophobicContact CD2-CG1 3.76Å; F262-I274 HydrophobicContact CG-CG1 3.74Å; F262-F279 HydrophobicContact CD1-CB 4.25Å; F262-F279 HydrophobicContact CE1-CB 3.66Å; F262-F279 HydrophobicContact CE1-CD1 4.09Å; F262-F279 HydrophobicContact CE1-CG 4.27Å; F262-F279 HydrophobicContact CZ-CB 3.93Å; F262-F279 AromaticContact CZ-CD1 3.68Å; F262-F279 HydrophobicContact CZ-CD1 3.68Å; F262-F279 HydrophobicContact CZ-CG 4.08Å; F262-I297 HydrophobicContact CE2-CG2 3.73Å; F262-I297 HydrophobicContact CZ-CG2 3.82Å
263	Y	94.1	Very high	96.7	Very high	63 Å²	63	43.4 Å²	43.4	25%	0.247	25%	0.245	C	C	.	.			trans	-53.1	134.2	-174.6	178.1	-107.1	0	0	0	113	K273 P397 Y398	Y263-K273 PolarHBondContact O-NZ 3.39Å; Y263-P397 HydrophobicContact CD2-CB 4.48Å; Y263-P397 HydrophobicContact CE2-CB 3.33Å; Y263-P397 HydrophobicContact CE2-CG 3.91Å; Y263-P397 VanDerWaalsContact CZ-CB 3.47Å; Y263-P397 WeakPolarHBondContact OH-CB 3.38Å; Y263-P397 WeakPolarHBondContact OH-CG 3.16Å; Y263-Y398 HydrophobicContact CD2-CD2 4.42Å; Y263-Y398 HydrophobicContact CD2-CE2 4.48Å; Y263-Y398 HydrophobicContact CE2-CD2 4.33Å
264	A	94.5	Very high	96.7	Very high	14 Å²	14	42.8 Å²	42.8	12%	0.116	24%	0.242	C	C	.	.			trans	-153	147.4	165.9	0	0	0	0	0	109.3	F262 N266 V269 M270 K273	F262-A264 PolarHBondContact O-N 3.07Å; A264-N266 VanDerWaalsContact C-N 3.28Å; A264-N266 PolarHBondContact O-N 3.3Å; A264-V269 HydrophobicContact CB-CB 4.01Å; A264-V269 HydrophobicContact CB-CG1 3.79Å; A264-M270 HydrophobicContact CB-CB 4.01Å; A264-K273 HydrophobicContact CB-CD 4.43Å
265	A	92.9	Very high	96.6	Very high	91 Å²	91	44.7 Å²	44.7	75%	0.752	25%	0.254	S	S	*	.	S	Bend	trans	-64.8	-31.2	-179.9	0	0	0	0	0	113.2
266	N	95.5	Very high	96.6	Very high	89 Å²	89	53.8 Å²	53.8	48%	0.476	29%	0.289	S	S	.	.	S	Bend	trans	-99.3	129.7	176.2	178.5	-73.1	0	0	0	110.3	A264 M268 V269 M270	A264-N266 VanDerWaalsContact C-N 3.28Å; A264-N266 PolarHBondContact O-N 3.3Å; N266-M268 VanDerWaalsContact C-N 3.34Å; N266-M268 PolarHBondContact O-N 2.8Å; N266-M268 WeakPolarHBondContact OD1-CA 3.32Å; N266-M268 VanDerWaalsContact OD1-CB 3.28Å; N266-M268 WeakPolarHBondContact OD1-CB 3.47Å; N266-M268 PolarHBondContact OD1-N 3.34Å; N266-V269 HydrophobicContact CB-CB 4.27Å; N266-V269 HydrophobicContact CB-CG2 3.94Å; N266-V269 PolarHBondContact O-N 3.29Å; N266-V269 VanDerWaalsContact O-N 3.17Å; N266-V269 PolarHBondContact OD1-N 3.44Å; N266-M270 PolarHBondContact O-N 2.92Å
267	H	93.6	Very high	96.4	Very high	79 Å²	79	53.9 Å²	53.9	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-39	-178.5	-69	178.1	0	0	0	113.4	V269 M270 Y271	H267-V269 VanDerWaalsContact C-N 3.33Å; H267-V269 PolarHBondContact O-N 2.81Å; H267-M270 WeakPolarHBondContact O-CB 3.41Å; H267-M270 PolarHBondContact O-N 2.72Å; H267-Y271 HydrophobicContact CB-CE2 4.05Å; H267-Y271 WeakPolarHBondContact O-CB 3.27Å; H267-Y271 WeakPolarHBondContact O-CD1 3.39Å; H267-Y271 VanDerWaalsContact O-CD2 3.31Å; H267-Y271 WeakPolarHBondContact O-CD2 3.41Å; H267-Y271 PolarHBondContact O-N 2.73Å
268	M	95.6	Very high	96.3	Very high	141 Å²	141	57.4 Å²	57.4	70%	0.695	31%	0.312	S	S	*	.	H	α-helix	trans	-66.3	-37.1	178.7	-60.1	-61.2	-76.1	0	0	111.7	N266 Y271 A272	N266-M268 VanDerWaalsContact C-N 3.34Å; N266-M268 PolarHBondContact O-N 2.8Å; N266-M268 WeakPolarHBondContact OD1-CA 3.32Å; N266-M268 VanDerWaalsContact OD1-CB 3.28Å; N266-M268 WeakPolarHBondContact OD1-CB 3.47Å; N266-M268 PolarHBondContact OD1-N 3.34Å; M268-Y271 PolarHBondContact O-N 3.21Å; M268-Y271 HydrophobicContact SD-CD2 4.21Å; M268-A272 WeakPolarHBondContact O-CB 3.32Å; M268-A272 PolarHBondContact O-N 3.12Å
269	V	97	Very high	96.2	Very high	74 Å²	74	58.6 Å²	58.6	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-66.5	-42.2	174	179.4	0	0	0	0	110.7	A264 N266 H267 A272 K273	A264-V269 HydrophobicContact CB-CB 4.01Å; A264-V269 HydrophobicContact CB-CG1 3.79Å; N266-V269 HydrophobicContact CB-CB 4.27Å; N266-V269 HydrophobicContact CB-CG2 3.94Å; N266-V269 PolarHBondContact O-N 3.29Å; N266-V269 VanDerWaalsContact O-N 3.17Å; N266-V269 PolarHBondContact OD1-N 3.44Å; H267-V269 VanDerWaalsContact C-N 3.33Å; H267-V269 PolarHBondContact O-N 2.81Å; V269-A272 PolarHBondContact O-N 3.22Å; V269-K273 WeakPolarHBondContact O-CG 3.35Å; V269-K273 PolarHBondContact O-N 2.81Å
270	M	97.1	Very high	96.2	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.9	174.8	165.6	55.5	0	0	111.4	P226 E227 F262 A264 N266 H267 A272 K273 I274	P226-M270 HydrophobicContact CB-CE 3.42Å; P226-M270 VanDerWaalsContact CB-CE 3.42Å; E227-M270 HydrophobicContact CB-SD 4.35Å; E227-M270 HydrophobicContact CG-CE 4.49Å; E227-M270 HydrophobicContact CG-SD 3.85Å; F262-M270 WeakPolarHBondContact O-CG 3.14Å; A264-M270 HydrophobicContact CB-CB 4.01Å; N266-M270 PolarHBondContact O-N 2.92Å; H267-M270 WeakPolarHBondContact O-CB 3.41Å; H267-M270 PolarHBondContact O-N 2.72Å; M270-A272 VanDerWaalsContact C-N 3.33Å; M270-A272 PolarHBondContact O-N 3.26Å; M270-K273 WeakPolarHBondContact O-CB 3.39Å; M270-K273 PolarHBondContact O-N 3.24Å; M270-K273 VanDerWaalsContact O-N 3.09Å; M270-I274 HydrophobicContact CG-CD1 3.92Å; M270-I274 HydrophobicContact CG-CG1 4.47Å; M270-I274 WeakPolarHBondContact O-CG1 3.49Å; M270-I274 PolarHBondContact O-N 3.42Å
271	Y	97.6	Very high	96.1	Very high	23 Å²	23	67 Å²	67	9%	0.09	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-40.4	177.1	-64.1	-19.4	0	0	0	112.3	P226 L229 I234 H267 M268 K273 I274 V275 L390	P226-Y271 HydrophobicContact CB-CE1 4.07Å; L229-Y271 HydrophobicContact CD1-CE1 4.02Å; I234-Y271 HydrophobicContact CD1-CD1 3.69Å; I234-Y271 HydrophobicContact CD1-CE1 4.42Å; I234-Y271 HydrophobicContact CD1-CG 4.17Å; I234-Y271 HydrophobicContact CG1-CD1 4.14Å; I234-Y271 HydrophobicContact CG1-CG 4.46Å; I234-Y271 HydrophobicContact CG2-CG 4.12Å; H267-Y271 HydrophobicContact CB-CE2 4.05Å; H267-Y271 WeakPolarHBondContact O-CB 3.27Å; H267-Y271 WeakPolarHBondContact O-CD1 3.39Å; H267-Y271 VanDerWaalsContact O-CD2 3.31Å; H267-Y271 WeakPolarHBondContact O-CD2 3.41Å; H267-Y271 PolarHBondContact O-N 2.73Å; M268-Y271 PolarHBondContact O-N 3.21Å; M268-Y271 HydrophobicContact SD-CD2 4.21Å; Y271-K273 VanDerWaalsContact C-N 3.32Å; Y271-K273 PolarHBondContact O-N 3.35Å; Y271-I274 HydrophobicContact CD1-CD1 4.33Å; Y271-I274 PolarHBondContact O-N 3.49Å; Y271-V275 WeakPolarHBondContact O-CG2 3.34Å; Y271-V275 PolarHBondContact O-N 3.47Å; Y271-L390 WeakPolarHBondContact OH-CD1 3.34Å
272	A	97.5	Very high	96.1	Very high	63 Å²	63	68.3 Å²	68.3	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-40.4	172.8	0	0	0	0	0	112	M268 V269 M270 R276	M268-A272 WeakPolarHBondContact O-CB 3.32Å; M268-A272 PolarHBondContact O-N 3.12Å; V269-A272 PolarHBondContact O-N 3.22Å; M270-A272 VanDerWaalsContact C-N 3.33Å; M270-A272 PolarHBondContact O-N 3.26Å; A272-R276 VanDerWaalsContact O-CB 3.3Å; A272-R276 WeakPolarHBondContact O-CB 3.32Å; A272-R276 PolarHBondContact O-N 2.85Å
273	K	97.8	Very high	96	Very high	90 Å²	90	74.7 Å²	74.7	39%	0.391	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-45.1	174.5	-70.9	179.2	-179.8	-173.8	0	112.2	F262 Y263 A264 V269 M270 Y271 R276 G277	F262-K273 HydrophobicContact CB-CB 4.2Å; F262-K273 HydrophobicContact CD1-CB 4.12Å; Y263-K273 PolarHBondContact O-NZ 3.39Å; A264-K273 HydrophobicContact CB-CD 4.43Å; V269-K273 WeakPolarHBondContact O-CG 3.35Å; V269-K273 PolarHBondContact O-N 2.81Å; M270-K273 WeakPolarHBondContact O-CB 3.39Å; M270-K273 PolarHBondContact O-N 3.24Å; M270-K273 VanDerWaalsContact O-N 3.09Å; Y271-K273 VanDerWaalsContact C-N 3.32Å; Y271-K273 PolarHBondContact O-N 3.35Å; K273-R276 PolarHBondContact O-N 3.3Å; K273-G277 PolarHBondContact O-N 2.93Å
274	I	98	Very high	96.1	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-60.3	-50.5	178.6	-70.1	167.8	0	0	0	110.3	P231 I234 W246 F262 M270 Y271 R276 G277 I299	P231-I274 HydrophobicContact CB-CG2 4.47Å; P231-I274 HydrophobicContact CG-CG2 3.99Å; I234-I274 HydrophobicContact CD1-CB 3.73Å; I234-I274 HydrophobicContact CD1-CD1 3.75Å; I234-I274 HydrophobicContact CD1-CG1 4.34Å; I234-I274 HydrophobicContact CD1-CG2 3.45Å; I234-I274 VanDerWaalsContact CD1-CG2 3.45Å; W246-I274 HydrophobicContact CH2-CG2 4.36Å; W246-I274 HydrophobicContact CZ2-CG2 3.78Å; F262-I274 HydrophobicContact CB-CG1 3.64Å; F262-I274 HydrophobicContact CD2-CG1 3.76Å; F262-I274 HydrophobicContact CG-CG1 3.74Å; M270-I274 HydrophobicContact CG-CD1 3.92Å; M270-I274 HydrophobicContact CG-CG1 4.47Å; M270-I274 WeakPolarHBondContact O-CG1 3.49Å; M270-I274 PolarHBondContact O-N 3.42Å; Y271-I274 HydrophobicContact CD1-CD1 4.33Å; Y271-I274 PolarHBondContact O-N 3.49Å; I274-R276 VanDerWaalsContact C-N 3.26Å; I274-R276 PolarHBondContact O-N 3.14Å; I274-G277 PolarHBondContact O-N 3.13Å; I274-I299 WeakPolarHBondContact O-CD1 3.44Å
275	V	97.5	Very high	96.2	Very high	47 Å²	47	75.4 Å²	75.4	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-33.7	-179.7	170.7	0	0	0	0	111.9	I234 Q235 Y271 G277	I234-V275 HydrophobicContact CB-CG2 4.28Å; I234-V275 HydrophobicContact CG2-CG2 3.83Å; Q235-V275 HydrophobicContact CG-CG2 4.12Å; Q235-V275 VanDerWaalsContact NE2-CG1 3.31Å; Y271-V275 WeakPolarHBondContact O-CG2 3.34Å; Y271-V275 PolarHBondContact O-N 3.47Å; V275-G277 VanDerWaalsContact C-N 3.34Å
276	R	97.1	Very high	96.5	Very high	192 Å²	192	72.7 Å²	72.7	73%	0.725	38%	0.376	S	S	*	.	H	α-helix	trans	-68.4	-31.6	173.9	-176.2	178.9	176.6	177.4	1.2	112.6	A272 K273 I274 V278	A272-R276 VanDerWaalsContact O-CB 3.3Å; A272-R276 WeakPolarHBondContact O-CB 3.32Å; A272-R276 PolarHBondContact O-N 2.85Å; K273-R276 PolarHBondContact O-N 3.3Å; I274-R276 VanDerWaalsContact C-N 3.26Å; I274-R276 PolarHBondContact O-N 3.14Å; R276-V278 HydrophobicContact CG-CB 4.33Å; R276-V278 HydrophobicContact CG-CG2 3.97Å; R276-V278 PolarHBondContact O-N 2.96Å
277	G	95.2	Very high	96.7	Very high	16 Å²	16	74.9 Å²	74.9	17%	0.165	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	11.7	176.4	0	0	0	0	0	116.6	K273 I274 V275 I299	K273-G277 PolarHBondContact O-N 2.93Å; I274-G277 PolarHBondContact O-N 3.13Å; V275-G277 VanDerWaalsContact C-N 3.34Å; G277-I299 VanDerWaalsContact CA-CD1 3.42Å
278	V	94.4	Very high	96.9	Very high	97 Å²	97	76.3 Å²	76.3	59%	0.588	39%	0.389	S	S	*	.			trans	-94.4	110.6	177.7	178.4	0	0	0	0	108.8	R276	R276-V278 HydrophobicContact CG-CB 4.33Å; R276-V278 HydrophobicContact CG-CG2 3.97Å; R276-V278 PolarHBondContact O-N 2.96Å
279	F	95.7	Very high	97	Very high	36 Å²	36	69.6 Å²	69.6	16%	0.158	36%	0.356	C	S	.	.			trans	-126.1	151.9	174.4	63.2	-76.3	0	0	0	111.1	Y253 P261 F262 M281 L293 I297	Y253-F279 HydrophobicContact CD2-CD2 4.09Å; Y253-F279 HydrophobicContact CD2-CE2 4.22Å; Y253-F279 AromaticContact CE2-CD2 3.89Å; Y253-F279 HydrophobicContact CE2-CD2 3.89Å; Y253-F279 HydrophobicContact CE2-CE2 4.38Å; P261-F279 HydrophobicContact CB-CB 3.76Å; P261-F279 HydrophobicContact CB-CD2 4.01Å; P261-F279 HydrophobicContact CB-CG 4.09Å; F262-F279 HydrophobicContact CD1-CB 4.25Å; F262-F279 HydrophobicContact CE1-CB 3.66Å; F262-F279 HydrophobicContact CE1-CD1 4.09Å; F262-F279 HydrophobicContact CE1-CG 4.27Å; F262-F279 HydrophobicContact CZ-CB 3.93Å; F262-F279 AromaticContact CZ-CD1 3.68Å; F262-F279 HydrophobicContact CZ-CD1 3.68Å; F262-F279 HydrophobicContact CZ-CG 4.08Å; F279-M281 HydrophobicContact CD2-CE 4.24Å; F279-M281 HydrophobicContact CD2-CG 4.02Å; F279-M281 HydrophobicContact CE1-CE 4.42Å; F279-M281 HydrophobicContact CE2-CE 3.22Å; F279-M281 HydrophobicContact CE2-CG 3.73Å; F279-M281 HydrophobicContact CE2-SD 4.11Å; F279-M281 HydrophobicContact CZ-CE 3.34Å; F279-L293 HydrophobicContact CE2-CB 4.48Å; F279-I297 HydrophobicContact CD1-CG2 4.15Å; F279-I297 HydrophobicContact CE1-CB 3.82Å; F279-I297 HydrophobicContact CE1-CD1 4.34Å; F279-I297 HydrophobicContact CE1-CG2 3.71Å; F279-I297 HydrophobicContact CE2-CD1 3.89Å; F279-I297 HydrophobicContact CZ-CB 3.87Å; F279-I297 HydrophobicContact CZ-CD1 3.77Å; F279-I297 HydrophobicContact CZ-CG1 4.32Å; F279-I297 HydrophobicContact CZ-CG2 4.16Å
280	R	95.6	Very high	97.1	Very high	223 Å²	223	68.1 Å²	68.1	84%	0.842	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-96.9	132.8	178.2	-66.9	-177.4	-179.9	175.1	-0.4	109.6	Y253	Y253-R280 WeakPolarHBondContact CE2-O 3.47Å; Y253-R280 PolarHBondContact OH-O 2.99Å
281	M	96.9	Very high	97.2	Very high	47 Å²	47	71.3 Å²	71.3	23%	0.232	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-101.4	131.2	172.1	-60.5	-177.7	-151	0	0	109.4	Y253 F279 F285 K290 L293 T294	Y253-M281 HydrophobicContact CE2-CG 4.41Å; F279-M281 HydrophobicContact CD2-CE 4.24Å; F279-M281 HydrophobicContact CD2-CG 4.02Å; F279-M281 HydrophobicContact CE1-CE 4.42Å; F279-M281 HydrophobicContact CE2-CE 3.22Å; F279-M281 HydrophobicContact CE2-CG 3.73Å; F279-M281 HydrophobicContact CE2-SD 4.11Å; F279-M281 HydrophobicContact CZ-CE 3.34Å; M281-F285 HydrophobicContact CB-CD2 4.09Å; M281-K290 HydrophobicContact CB-CG 4.27Å; M281-K290 WeakPolarHBondContact SD-CA 3.25Å; M281-K290 HydrophobicContact SD-CB 3.59Å; M281-K290 VanDerWaalsContact SD-CB 3.59Å; M281-K290 HydrophobicContact SD-CG 3.63Å; M281-L293 HydrophobicContact CE-CB 4.02Å; M281-L293 HydrophobicContact SD-CB 4.25Å; M281-L293 HydrophobicContact SD-CD1 4.31Å; M281-T294 WeakPolarHBondContact CE-OG1 3.41Å
282	P	96.3	Very high	97.2	Very high	46 Å²	46	70.2 Å²	70.2	30%	0.299	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.2	146.1	174.5	-26.6	35.3	0	0	0	112.4	T284 F285	P282-T284 PolarHBondContact O-N 3.34Å; P282-T284 VanDerWaalsContact O-N 3.15Å; P282-F285 HydrophobicContact CB-CD1 3.96Å; P282-F285 HydrophobicContact CB-CE1 4.05Å; P282-F285 HydrophobicContact CG-CD1 4.09Å; P282-F285 HydrophobicContact CG-CE1 3.7Å; P282-F285 HydrophobicContact CG-CZ 3.98Å; P282-F285 WeakPolarHBondContact O-CB 3.49Å; P282-F285 PolarHBondContact O-N 3.42Å
283	V	96.2	Very high	97.3	Very high	137 Å²	137	67.2 Å²	67.2	83%	0.83	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	175.9	-63.6	0	0	0	0	112.7	F285	V283-F285 PolarHBondContact O-N 3.49Å
284	T	95.7	Very high	97.3	Very high	87 Å²	87	66.6 Å²	66.6	53%	0.534	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.6	177.8	58.1	0	0	0	0	113.7	P282	P282-T284 PolarHBondContact O-N 3.34Å; P282-T284 VanDerWaalsContact O-N 3.15Å
285	F	98.2	Very high	97.3	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.018	35%	0.348	C	S	.	.	S	Bend	trans	-74.1	136.7	176.2	-74.9	15.5	0	0	0	109.6	Y253 M256 A257 M281 P282 V283 L289 K290 L293	Y253-F285 HydrophobicContact CD2-CE2 4.03Å; Y253-F285 HydrophobicContact CE2-CE2 4.19Å; M256-F285 HydrophobicContact CB-CD1 4.41Å; M256-F285 HydrophobicContact CB-CE1 3.54Å; M256-F285 HydrophobicContact CB-CE2 4.17Å; M256-F285 HydrophobicContact CB-CZ 3.38Å; M256-F285 HydrophobicContact CE-CD1 4.16Å; M256-F285 HydrophobicContact CE-CE1 4.26Å; M256-F285 HydrophobicContact CG-CZ 4.49Å; A257-F285 HydrophobicContact CB-CE1 4.44Å; A257-F285 HydrophobicContact CB-CZ 3.95Å; M281-F285 HydrophobicContact CB-CD2 4.09Å; P282-F285 HydrophobicContact CB-CD1 3.96Å; P282-F285 HydrophobicContact CB-CE1 4.05Å; P282-F285 HydrophobicContact CG-CD1 4.09Å; P282-F285 HydrophobicContact CG-CE1 3.7Å; P282-F285 HydrophobicContact CG-CZ 3.98Å; P282-F285 WeakPolarHBondContact O-CB 3.49Å; P282-F285 PolarHBondContact O-N 3.42Å; V283-F285 PolarHBondContact O-N 3.49Å; F285-L289 HydrophobicContact CB-CD2 3.89Å; F285-L289 HydrophobicContact CB-CG 4.42Å; F285-L289 HydrophobicContact CD1-CD2 4.11Å; F285-L289 HydrophobicContact CD2-CD2 3.58Å; F285-L289 HydrophobicContact CD2-CG 4.04Å; F285-L289 HydrophobicContact CE2-CD2 4.05Å; F285-L289 HydrophobicContact CG-CD2 3.6Å; F285-L289 HydrophobicContact CG-CG 4.38Å; F285-K290 HydrophobicContact CB-CG 3.89Å; F285-K290 WeakPolarHBondContact O-CE 3.44Å; F285-K290 PolarHBondContact O-NZ 2.79Å; F285-L293 HydrophobicContact CD2-CD1 3.94Å; F285-L293 HydrophobicContact CE2-CD1 3.73Å
286	S	98.4	Very high	97.4	Very high	34 Å²	34	67.1 Å²	67.1	24%	0.238	33%	0.334	C	S	.	.			trans	-62.4	150.8	172.9	77.2	0	0	0	0	111	E163 K288 L289 K290	E163-S286 WeakPolarHBondContact OE1-CB 3.39Å; E163-S286 PolarHBondContact OE1-OG 3.19Å; E163-S286 WeakPolarHBondContact OE2-CB 3.47Å; E163-S286 PolarHBondContact OE2-OG 3.37Å; S286-K288 PolarHBondContact O-N 3.15Å; S286-L289 WeakPolarHBondContact O-CB 3.42Å; S286-L289 PolarHBondContact O-N 3.48Å; S286-L289 WeakPolarHBondContact OG-CB 3.39Å; S286-L289 PolarHBondContact OG-N 3.23Å; S286-L289 VanDerWaalsContact OG-N 3.08Å; S286-K290 WeakPolarHBondContact O-CG 3.48Å; S286-K290 PolarHBondContact O-N 3.39Å
287	E	98.4	Very high	97.5	Very high	135 Å²	135	58.2 Å²	58.2	63%	0.631	30%	0.301	S	S	*	.	H	α-helix	trans	-59.3	-34.7	177	-65.1	-52.5	123.9	0	0	111.9	L289 K290 D291	E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 2.92Å; E287-K290 PolarHBondContact O-N 3.14Å; E287-K290 IonicContact OE1-NZ 2.72Å; E287-K290 PolarHBondContact OE1-NZ 2.94Å; E287-D291 WeakPolarHBondContact O-CB 3.29Å; E287-D291 PolarHBondContact O-N 3.17Å
288	K	98.5	Very high	97.6	Very high	109 Å²	109	58.6 Å²	58.6	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-40.4	174	-64.7	176.3	-178.8	179.2	0	111.7	S286 L292 H318 K319 W320	S286-K288 PolarHBondContact O-N 3.15Å; K288-L292 PolarHBondContact O-N 2.92Å; K288-L292 VanDerWaalsContact O-N 3.1Å; K288-H318 PolarHBondContact O-CE1 2.85Å; K288-H318 VanDerWaalsContact O-CE1 3.26Å; K288-K319 HydrophobicContact CD-CB 4.35Å; K288-K319 HydrophobicContact CG-CB 4.32Å; K288-W320 HydrophobicContact CB-CB 4.06Å; K288-W320 HydrophobicContact CB-CG 4.37Å
289	L	98.7	Very high	97.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-45.5	177.2	175	58.5	0	0	0	110.9	I252 M256 F285 S286 E287 D291 L292 L293 W320	I252-L289 HydrophobicContact CG2-CD1 3.59Å; M256-L289 HydrophobicContact CB-CD2 4.24Å; M256-L289 HydrophobicContact CE-CD2 3.64Å; M256-L289 HydrophobicContact CG-CD2 3.64Å; M256-L289 HydrophobicContact SD-CD2 4.13Å; F285-L289 HydrophobicContact CB-CD2 3.89Å; F285-L289 HydrophobicContact CB-CG 4.42Å; F285-L289 HydrophobicContact CD1-CD2 4.11Å; F285-L289 HydrophobicContact CD2-CD2 3.58Å; F285-L289 HydrophobicContact CD2-CG 4.04Å; F285-L289 HydrophobicContact CE2-CD2 4.05Å; F285-L289 HydrophobicContact CG-CD2 3.6Å; F285-L289 HydrophobicContact CG-CG 4.38Å; S286-L289 WeakPolarHBondContact O-CB 3.42Å; S286-L289 PolarHBondContact O-N 3.48Å; S286-L289 WeakPolarHBondContact OG-CB 3.39Å; S286-L289 PolarHBondContact OG-N 3.23Å; S286-L289 VanDerWaalsContact OG-N 3.08Å; E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 2.92Å; L289-D291 VanDerWaalsContact C-N 3.29Å; L289-D291 PolarHBondContact O-N 2.88Å; L289-L292 PolarHBondContact O-N 3.44Å; L289-L293 HydrophobicContact CD1-CD1 3.9Å; L289-L293 HydrophobicContact CD1-CD2 4.5Å; L289-L293 HydrophobicContact CD1-CG 3.89Å; L289-L293 HydrophobicContact CG-CD1 3.94Å; L289-L293 HydrophobicContact CG-CG 4.34Å; L289-L293 WeakPolarHBondContact O-CG 3.34Å; L289-L293 PolarHBondContact O-N 3.5Å; L289-W320 HydrophobicContact CD1-CD2 4.32Å; L289-W320 HydrophobicContact CD1-CZ2 3.83Å; L289-W320 VanDerWaalsContact N-CD1 3.26Å
290	K	98.7	Very high	97.8	Very high	43 Å²	43	58.6 Å²	58.6	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-43.2	179.1	-65.1	176.8	-172.9	158.4	0	111.6	M281 F285 S286 E287 L293 T294	M281-K290 HydrophobicContact CB-CG 4.27Å; M281-K290 WeakPolarHBondContact SD-CA 3.25Å; M281-K290 HydrophobicContact SD-CB 3.59Å; M281-K290 VanDerWaalsContact SD-CB 3.59Å; M281-K290 HydrophobicContact SD-CG 3.63Å; F285-K290 HydrophobicContact CB-CG 3.89Å; F285-K290 WeakPolarHBondContact O-CE 3.44Å; F285-K290 PolarHBondContact O-NZ 2.79Å; S286-K290 WeakPolarHBondContact O-CG 3.48Å; S286-K290 PolarHBondContact O-N 3.39Å; E287-K290 PolarHBondContact O-N 3.14Å; E287-K290 IonicContact OE1-NZ 2.72Å; E287-K290 PolarHBondContact OE1-NZ 2.94Å; K290-L293 PolarHBondContact O-N 3Å; K290-T294 PolarHBondContact O-N 2.79Å; K290-T294 PolarHBondContact O-OG1 3.31Å
291	D	98.6	Very high	97.7	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-48.4	175.5	-169.7	40.6	0	0	0	111.4	E287 L289 L293 T294 H295 H318	E287-D291 WeakPolarHBondContact O-CB 3.29Å; E287-D291 PolarHBondContact O-N 3.17Å; L289-D291 VanDerWaalsContact C-N 3.29Å; L289-D291 PolarHBondContact O-N 2.88Å; D291-L293 PolarHBondContact O-N 3.08Å; D291-T294 PolarHBondContact O-N 2.95Å; D291-H295 PolarHBondContact O-N 3.24Å; D291-H295 PolarHBondContact O-ND1 3.46Å; D291-H295 IonicContact OD1-CE1 2.66Å; D291-H295 PolarHBondContact OD1-CE1 3.04Å; D291-H295 VanDerWaalsContact OD1-CE1 3.26Å; D291-H295 IonicContact OD1-ND1 3.99Å; D291-H318 IonicContact OD2-CE1 2.63Å; D291-H318 IonicContact OD2-NE2 3.77Å; D291-H318 PolarHBondContact OD2-NE2 3.42Å
292	L	98.7	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-47.5	177.1	180	60.9	0	0	0	112.2	I252 K288 L289 T294 H295 L296 Y305 H318 W320 Y321	I252-L292 HydrophobicContact CD1-CD2 4.27Å; K288-L292 PolarHBondContact O-N 2.92Å; K288-L292 VanDerWaalsContact O-N 3.1Å; L289-L292 PolarHBondContact O-N 3.44Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 2.92Å; L292-H295 PolarHBondContact O-N 3.01Å; L292-L296 HydrophobicContact CD1-CD1 3.89Å; L292-L296 HydrophobicContact CD1-CG 4.1Å; L292-L296 HydrophobicContact CD2-CD1 4.31Å; L292-L296 HydrophobicContact CG-CD1 3.83Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 PolarHBondContact O-N 2.87Å; L292-Y305 HydrophobicContact CD1-CD2 4.45Å; L292-H318 HydrophobicContact CD1-CB 4.11Å; L292-H318 PolarHBondContact N-CE1 3.35Å; L292-W320 HydrophobicContact CB-CB 4.2Å; L292-W320 HydrophobicContact CD2-CB 4.07Å; L292-W320 HydrophobicContact CD2-CD2 3.79Å; L292-W320 HydrophobicContact CD2-CE3 3.29Å; L292-W320 HydrophobicContact CD2-CG 4.13Å; L292-W320 HydrophobicContact CD2-CZ3 3.97Å; L292-Y321 HydrophobicContact CD2-CD2 4.24Å; L292-Y321 HydrophobicContact CD2-CE2 3.7Å
293	L	98.8	Very high	97.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-36.7	-177.9	-73	177.4	0	0	0	112.1	G249 I252 Y253 F279 M281 F285 L289 K290 D291 H295 L296 I297	G249-L293 WeakPolarHBondContact O-CD2 3.29Å; I252-L293 HydrophobicContact CB-CD2 4.01Å; I252-L293 HydrophobicContact CG2-CD2 3.8Å; Y253-L293 HydrophobicContact CD2-CD1 4.1Å; F279-L293 HydrophobicContact CE2-CB 4.48Å; M281-L293 HydrophobicContact CE-CB 4.02Å; M281-L293 HydrophobicContact SD-CB 4.25Å; M281-L293 HydrophobicContact SD-CD1 4.31Å; F285-L293 HydrophobicContact CD2-CD1 3.94Å; F285-L293 HydrophobicContact CE2-CD1 3.73Å; L289-L293 HydrophobicContact CD1-CD1 3.9Å; L289-L293 HydrophobicContact CD1-CD2 4.5Å; L289-L293 HydrophobicContact CD1-CG 3.89Å; L289-L293 HydrophobicContact CG-CD1 3.94Å; L289-L293 HydrophobicContact CG-CG 4.34Å; L289-L293 WeakPolarHBondContact O-CG 3.34Å; L289-L293 PolarHBondContact O-N 3.5Å; K290-L293 PolarHBondContact O-N 3Å; D291-L293 PolarHBondContact O-N 3.08Å; L293-H295 VanDerWaalsContact C-N 3.25Å; L293-H295 PolarHBondContact O-N 3.2Å; L293-L296 PolarHBondContact O-N 3.47Å; L293-I297 HydrophobicContact CB-CD1 4.47Å; L293-I297 HydrophobicContact CD2-CD1 4.13Å; L293-I297 VanDerWaalsContact O-CB 3.32Å; L293-I297 WeakPolarHBondContact O-CB 3.22Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 3.04Å
294	T	98.3	Very high	97.7	Very high	77 Å²	77	50 Å²	50	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-38.9	175.5	-57.3	0	0	0	0	111.3	M281 K290 D291 L292	M281-T294 WeakPolarHBondContact CE-OG1 3.41Å; K290-T294 PolarHBondContact O-N 2.79Å; K290-T294 PolarHBondContact O-OG1 3.31Å; D291-T294 PolarHBondContact O-N 2.95Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 2.92Å
295	H	98.5	Very high	97.9	Very high	57 Å²	57	47.7 Å²	47.7	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-80.6	-32.8	-179.5	-69.4	100	0	0	0	114.2	D291 L292 L293 R304 Y305	D291-H295 PolarHBondContact O-N 3.24Å; D291-H295 PolarHBondContact O-ND1 3.46Å; D291-H295 IonicContact OD1-CE1 2.66Å; D291-H295 PolarHBondContact OD1-CE1 3.04Å; D291-H295 VanDerWaalsContact OD1-CE1 3.26Å; D291-H295 IonicContact OD1-ND1 3.99Å; L292-H295 PolarHBondContact O-N 3.01Å; L293-H295 VanDerWaalsContact C-N 3.25Å; L293-H295 PolarHBondContact O-N 3.2Å; H295-R304 WeakPolarHBondContact O-CA 3.47Å; H295-Y305 HydrophobicContact CB-CD1 3.54Å; H295-Y305 HydrophobicContact CB-CD2 3.75Å; H295-Y305 HydrophobicContact CB-CE1 3.63Å; H295-Y305 HydrophobicContact CB-CE2 3.84Å; H295-Y305 HydrophobicContact CB-CG 3.59Å; H295-Y305 AromaticContact CD2-CD1 3.84Å; H295-Y305 AromaticContact CD2-CE1 3.14Å; H295-Y305 WeakPolarHBondContact CD2-CE1 3.23Å; H295-Y305 AromaticContact CD2-CZ 3.46Å; H295-Y305 VanDerWaalsContact CD2-CZ 3.46Å; H295-Y305 AromaticContact CG-CD1 3.93Å; H295-Y305 AromaticContact CG-CE1 3.46Å; H295-Y305 VanDerWaalsContact CG-CE1 3.46Å; H295-Y305 AromaticContact CG-CE2 3.96Å; H295-Y305 AromaticContact CG-CZ 3.46Å; H295-Y305 VanDerWaalsContact CG-CZ 3.46Å; H295-Y305 AromaticContact ND1-CZ 3.93Å; H295-Y305 AromaticContact NE2-CE1 3.9Å; H295-Y305 AromaticContact NE2-CZ 3.9Å; H295-Y305 PolarHBondContact NE2-OH 3.12Å; H295-Y305 PolarHBondContact O-N 2.85Å; H295-Y305 VanDerWaalsContact O-N 3.09Å
296	L	98.6	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-77.1	-39.7	175.7	-72.5	173.6	0	0	0	112.4	W245 I252 L292 L293 S298 R304 I315	W245-L296 HydrophobicContact CB-CD2 4.35Å; I252-L296 HydrophobicContact CD1-CD1 3.88Å; L292-L296 HydrophobicContact CD1-CD1 3.89Å; L292-L296 HydrophobicContact CD1-CG 4.1Å; L292-L296 HydrophobicContact CD2-CD1 4.31Å; L292-L296 HydrophobicContact CG-CD1 3.83Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 PolarHBondContact O-N 2.87Å; L293-L296 PolarHBondContact O-N 3.47Å; L296-S298 PolarHBondContact O-N 3.35Å; L296-R304 VanDerWaalsContact O-CD 3.26Å; L296-R304 WeakPolarHBondContact O-CD 3.48Å; L296-R304 WeakPolarHBondContact O-CG 3.09Å; L296-I315 HydrophobicContact CD2-CD1 3.87Å; L296-I315 HydrophobicContact CD2-CG1 4.12Å
297	I	98.5	Very high	97.7	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	42.7	-179.9	-47.1	174.7	0	0	0	109.5	W246 I250 P261 F262 F279 L293	W246-I297 HydrophobicContact CD2-CG2 4.42Å; W246-I297 HydrophobicContact CE3-CG2 4.05Å; W246-I297 HydrophobicContact CH2-CG2 3.42Å; W246-I297 VanDerWaalsContact CH2-CG2 3.42Å; W246-I297 HydrophobicContact CZ2-CG2 3.82Å; W246-I297 HydrophobicContact CZ3-CB 4.31Å; W246-I297 HydrophobicContact CZ3-CG2 3.56Å; I250-I297 HydrophobicContact CD1-CD1 4.22Å; I250-I297 HydrophobicContact CD1-CG1 4.47Å; I250-I297 HydrophobicContact CD1-CG2 4.32Å; P261-I297 HydrophobicContact CG-CD1 4.47Å; F262-I297 HydrophobicContact CE2-CG2 3.73Å; F262-I297 HydrophobicContact CZ-CG2 3.82Å; F279-I297 HydrophobicContact CD1-CG2 4.15Å; F279-I297 HydrophobicContact CE1-CB 3.82Å; F279-I297 HydrophobicContact CE1-CD1 4.34Å; F279-I297 HydrophobicContact CE1-CG2 3.71Å; F279-I297 HydrophobicContact CE2-CD1 3.89Å; F279-I297 HydrophobicContact CZ-CB 3.87Å; F279-I297 HydrophobicContact CZ-CD1 3.77Å; F279-I297 HydrophobicContact CZ-CG1 4.32Å; F279-I297 HydrophobicContact CZ-CG2 4.16Å; L293-I297 HydrophobicContact CB-CD1 4.47Å; L293-I297 HydrophobicContact CD2-CD1 4.13Å; L293-I297 VanDerWaalsContact O-CB 3.32Å; L293-I297 WeakPolarHBondContact O-CB 3.22Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 3.04Å
298	S	97.8	Very high	97.6	Very high	23 Å²	23	43.6 Å²	43.6	16%	0.161	22%	0.224	C	C	.	.			trans	-82.3	129.2	174.7	176.7	0	0	0	0	110.9	L296 D300 R304	L296-S298 PolarHBondContact O-N 3.35Å; S298-D300 PolarHBondContact OG-N 2.87Å; S298-D300 PolarHBondContact OG-O 2.89Å; S298-R304 PolarHBondContact O-NE 3.49Å; S298-R304 PolarHBondContact O-NH2 3.38Å
299	I	97.7	Very high	97.4	Very high	60 Å²	60	48 Å²	48	31%	0.308	24%	0.243	S	C	.	.	S	Bend	trans	-66.3	-42.6	174.6	-61	-57.8	0	0	0	111.3	P231 W246 I274 G277 W301	P231-I299 HydrophobicContact CB-CD1 4.17Å; P231-I299 HydrophobicContact CB-CG2 4.49Å; P231-I299 HydrophobicContact CG-CD1 3.32Å; W246-I299 HydrophobicContact CH2-CD1 3.68Å; W246-I299 HydrophobicContact CZ3-CD1 3.84Å; I274-I299 WeakPolarHBondContact O-CD1 3.44Å; G277-I299 VanDerWaalsContact CA-CD1 3.42Å; I299-W301 PolarHBondContact O-N 3.15Å; I299-W301 VanDerWaalsContact O-N 3.13Å
300	D	96.3	Very high	97.1	Very high	74 Å²	74	51.9 Å²	51.9	40%	0.396	26%	0.264	S	S	.	.	S	Bend	trans	-73.8	105.8	169.9	-174.5	-7.6	0	0	0	108.8	S298 T302 Q303 R304	S298-D300 PolarHBondContact OG-N 2.87Å; S298-D300 PolarHBondContact OG-O 2.89Å; D300-T302 PolarHBondContact O-N 3.37Å; D300-T302 WeakPolarHBondContact OD1-CB 3.33Å; D300-T302 PolarHBondContact OD1-N 3.12Å; D300-T302 PolarHBondContact OD1-OG1 2.84Å; D300-T302 PolarHBondContact OD2-OG1 3.41Å; D300-T302 VanDerWaalsContact OD2-OG1 3.08Å; D300-Q303 HydrophobicContact CB-CB 4.43Å; D300-Q303 HydrophobicContact CB-CG 4.21Å; D300-Q303 PolarHBondContact O-N 2.84Å; D300-Q303 VanDerWaalsContact O-N 3.14Å; D300-R304 PolarHBondContact O-N 2.9Å
301	W	94.6	Very high	96.9	Very high	99 Å²	99	50.8 Å²	50.8	38%	0.375	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.1	179.6	71.1	-90	0	0	0	112.5	I299 Q303 R304 C307	I299-W301 PolarHBondContact O-N 3.15Å; I299-W301 VanDerWaalsContact O-N 3.13Å; W301-Q303 VanDerWaalsContact C-N 3.34Å; W301-R304 WeakPolarHBondContact O-CB 3.26Å; W301-R304 PolarHBondContact O-N 3.33Å; W301-C307 WeakPolarHBondContact O-CB 3.45Å
302	T	94.6	Very high	96.7	Very high	55 Å²	55	48.8 Å²	48.8	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.5	177.9	70	0	0	0	0	112.8	D300	D300-T302 PolarHBondContact O-N 3.37Å; D300-T302 WeakPolarHBondContact OD1-CB 3.33Å; D300-T302 PolarHBondContact OD1-N 3.12Å; D300-T302 PolarHBondContact OD1-OG1 2.84Å; D300-T302 PolarHBondContact OD2-OG1 3.41Å; D300-T302 VanDerWaalsContact OD2-OG1 3.08Å
303	Q	96.7	Very high	96.5	Very high	118 Å²	118	49.7 Å²	49.7	55%	0.551	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.8	175.8	-56.7	-57.1	-31.2	0	0	112.5	D300 W301 Y305	D300-Q303 HydrophobicContact CB-CB 4.43Å; D300-Q303 HydrophobicContact CB-CG 4.21Å; D300-Q303 PolarHBondContact O-N 2.84Å; D300-Q303 VanDerWaalsContact O-N 3.14Å; W301-Q303 VanDerWaalsContact C-N 3.34Å; Q303-Y305 PolarHBondContact O-N 2.87Å
304	R	98.3	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-65.5	130	-179.3	-164.8	179.1	-60.9	150.8	4.5	110.2	E232 G242 H295 L296 S298 D300 W301 G306 C307 T308	E232-R304 IonicContact OE1-CZ 3.26Å; E232-R304 IonicContact OE1-NH1 3.95Å; E232-R304 PolarHBondContact OE1-NH1 2.99Å; E232-R304 IonicContact OE1-NH2 3.75Å; E232-R304 PolarHBondContact OE1-NH2 3.27Å; E232-R304 IonicContact OE2-CZ 3.68Å; E232-R304 IonicContact OE2-NH1 3.59Å; E232-R304 IonicContact OE2-NH2 2.74Å; E232-R304 PolarHBondContact OE2-NH2 2.77Å; G242-R304 WeakPolarHBondContact O-CD 3.35Å; G242-R304 PolarHBondContact O-NH1 3.48Å; H295-R304 WeakPolarHBondContact O-CA 3.47Å; L296-R304 VanDerWaalsContact O-CD 3.26Å; L296-R304 WeakPolarHBondContact O-CD 3.48Å; L296-R304 WeakPolarHBondContact O-CG 3.09Å; S298-R304 PolarHBondContact O-NE 3.49Å; S298-R304 PolarHBondContact O-NH2 3.38Å; D300-R304 PolarHBondContact O-N 2.9Å; W301-R304 WeakPolarHBondContact O-CB 3.26Å; W301-R304 PolarHBondContact O-N 3.33Å; R304-G306 PolarHBondContact O-N 2.89Å; R304-C307 WeakPolarHBondContact O-CA 3.48Å; R304-C307 WeakPolarHBondContact O-CB 3.39Å; R304-C307 PolarHBondContact O-N 3.23Å; R304-T308 PolarHBondContact O-N 3.01Å
305	Y	98.3	Very high	96.4	Very high	39 Å²	39	47.6 Å²	47.6	15%	0.153	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	140.5	174.5	-85.4	19.2	0	0	0	111.1	W245 L292 H295 Q303 C307 T308 D314 I315 H318	W245-Y305 WeakPolarHBondContact CB-O 3.22Å; L292-Y305 HydrophobicContact CD1-CD2 4.45Å; H295-Y305 HydrophobicContact CB-CD1 3.54Å; H295-Y305 HydrophobicContact CB-CD2 3.75Å; H295-Y305 HydrophobicContact CB-CE1 3.63Å; H295-Y305 HydrophobicContact CB-CE2 3.84Å; H295-Y305 HydrophobicContact CB-CG 3.59Å; H295-Y305 AromaticContact CD2-CD1 3.84Å; H295-Y305 AromaticContact CD2-CE1 3.14Å; H295-Y305 WeakPolarHBondContact CD2-CE1 3.23Å; H295-Y305 AromaticContact CD2-CZ 3.46Å; H295-Y305 VanDerWaalsContact CD2-CZ 3.46Å; H295-Y305 AromaticContact CG-CD1 3.93Å; H295-Y305 AromaticContact CG-CE1 3.46Å; H295-Y305 VanDerWaalsContact CG-CE1 3.46Å; H295-Y305 AromaticContact CG-CE2 3.96Å; H295-Y305 AromaticContact CG-CZ 3.46Å; H295-Y305 VanDerWaalsContact CG-CZ 3.46Å; H295-Y305 AromaticContact ND1-CZ 3.93Å; H295-Y305 AromaticContact NE2-CE1 3.9Å; H295-Y305 AromaticContact NE2-CZ 3.9Å; H295-Y305 PolarHBondContact NE2-OH 3.12Å; H295-Y305 PolarHBondContact O-N 2.85Å; H295-Y305 VanDerWaalsContact O-N 3.09Å; Q303-Y305 PolarHBondContact O-N 2.87Å; Y305-C307 VanDerWaalsContact C-N 3.3Å; Y305-T308 HydrophobicContact CD1-CG2 4.35Å; Y305-D314 HydrophobicContact CD1-CB 3.96Å; Y305-D314 HydrophobicContact CD2-CB 3.78Å; Y305-D314 WeakPolarHBondContact CD2-O 3.4Å; Y305-D314 HydrophobicContact CE1-CB 4.15Å; Y305-D314 HydrophobicContact CE2-CB 3.96Å; Y305-D314 WeakPolarHBondContact CE2-O 3.12Å; Y305-D314 HydrophobicContact CG-CB 3.79Å; Y305-I315 HydrophobicContact CD2-CG1 4.45Å; Y305-H318 AromaticContact CE2-CD2 3.77Å
306	G	96.9	Very high	96.3	Very high	16 Å²	16	45.7 Å²	45.7	17%	0.165	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-14.1	-168.1	0	0	0	0	0	114.4	R304 G311	R304-G306 PolarHBondContact O-N 2.89Å; G306-G311 WeakPolarHBondContact CA-O 3.3Å; G306-G311 PolarHBondContact N-O 3.16Å
307	C	96.4	Very high	96.2	Very high	40 Å²	40	46.8 Å²	46.8	27%	0.27	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-10.9	176.2	-66.3	0	0	0	0	114.4	G242 W301 R304 Y305	G242-C307 WeakPolarHBondContact CA-SG 3.42Å; W301-C307 WeakPolarHBondContact O-CB 3.45Å; R304-C307 WeakPolarHBondContact O-CA 3.48Å; R304-C307 WeakPolarHBondContact O-CB 3.39Å; R304-C307 PolarHBondContact O-N 3.23Å; Y305-C307 VanDerWaalsContact C-N 3.3Å
308	T	96.1	Very high	96.1	Very high	30 Å²	30	47 Å²	47	18%	0.184	25%	0.25	C	S	.	.	S	Bend	trans	-64.6	173.7	172.5	67.8	0	0	0	0	111	R304 Y305 N310 G311 D314	R304-T308 PolarHBondContact O-N 3.01Å; Y305-T308 HydrophobicContact CD1-CG2 4.35Å; T308-N310 PolarHBondContact O-N 3.24Å; T308-N310 VanDerWaalsContact O-N 3.14Å; T308-N310 PolarHBondContact OG1-N 3.34Å; T308-G311 WeakPolarHBondContact O-CA 3.42Å; T308-G311 PolarHBondContact O-N 2.89Å; T308-G311 PolarHBondContact OG1-N 2.85Å; T308-D314 WeakPolarHBondContact CB-OD2 3.36Å; T308-D314 PolarHBondContact OG1-OD2 2.79Å
309	K	93.9	Very high	96.2	Very high	201 Å²	201	53.1 Å²	53.1	87%	0.874	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.8	174.5	68.1	-179.5	-176.9	-179.9	0	114.2	G311	K309-G311 VanDerWaalsContact C-N 3.34Å
310	N	93.5	Very high	96.2	Very high	83 Å²	83	50.6 Å²	50.6	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.2	179	-65.3	-20	0	0	0	111.9	T308 I312 A313 D314	T308-N310 PolarHBondContact O-N 3.24Å; T308-N310 VanDerWaalsContact O-N 3.14Å; T308-N310 PolarHBondContact OG1-N 3.34Å; N310-I312 PolarHBondContact O-N 3.36Å; N310-A313 HydrophobicContact CB-CB 4.46Å; N310-A313 VanDerWaalsContact O-CB 3.31Å; N310-A313 WeakPolarHBondContact O-CB 3.19Å; N310-A313 PolarHBondContact O-N 3.1Å; N310-A313 VanDerWaalsContact O-N 3.11Å; N310-D314 WeakPolarHBondContact CB-OD1 3.41Å; N310-D314 PolarHBondContact ND2-OD1 3.42Å
311	G	94	Very high	96.3	Very high	19 Å²	19	47.2 Å²	47.2	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-126.9	177.5	0	0	0	0	0	112.3	G306 T308 K309 A313 D314	G306-G311 WeakPolarHBondContact CA-O 3.3Å; G306-G311 PolarHBondContact N-O 3.16Å; T308-G311 WeakPolarHBondContact O-CA 3.42Å; T308-G311 PolarHBondContact O-N 2.89Å; T308-G311 PolarHBondContact OG1-N 2.85Å; K309-G311 VanDerWaalsContact C-N 3.34Å; G311-A313 PolarHBondContact O-N 2.99Å; G311-D314 PolarHBondContact O-N 2.84Å
312	I	94.7	Very high	96.3	Very high	28 Å²	28	46.7 Å²	46.7	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-24.1	-179.1	-168.2	58.8	0	0	0	113.6	V174 E178 W245 N310 D314 I315 K316	V174-I312 HydrophobicContact CG1-CD1 3.7Å; E178-I312 HydrophobicContact CB-CD1 4.38Å; E178-I312 HydrophobicContact CB-CG1 4.13Å; E178-I312 HydrophobicContact CG-CG1 4.04Å; E178-I312 HydrophobicContact CG-CG2 4.44Å; W245-I312 HydrophobicContact CH2-CD1 3.25Å; W245-I312 HydrophobicContact CZ2-CD1 3.55Å; W245-I312 HydrophobicContact CZ3-CD1 3.99Å; N310-I312 PolarHBondContact O-N 3.36Å; I312-D314 VanDerWaalsContact C-N 3.27Å; I312-D314 PolarHBondContact O-N 3.03Å; I312-I315 HydrophobicContact CD1-CB 4.35Å; I312-I315 HydrophobicContact CD1-CD1 4.11Å; I312-I315 PolarHBondContact O-N 3.26Å; I312-I315 VanDerWaalsContact O-N 3.07Å; I312-K316 HydrophobicContact CG1-CD 3.77Å; I312-K316 HydrophobicContact CG1-CG 4.13Å; I312-K316 PolarHBondContact O-N 2.98Å
313	A	94.7	Very high	96.2	Very high	19 Å²	19	47.8 Å²	47.8	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-30.4	-177.3	0	0	0	0	0	112.3	N310 G311 I315 G317	N310-A313 HydrophobicContact CB-CB 4.46Å; N310-A313 VanDerWaalsContact O-CB 3.31Å; N310-A313 WeakPolarHBondContact O-CB 3.19Å; N310-A313 PolarHBondContact O-N 3.1Å; N310-A313 VanDerWaalsContact O-N 3.11Å; G311-A313 PolarHBondContact O-N 2.99Å; A313-I315 VanDerWaalsContact C-N 3.26Å; A313-I315 PolarHBondContact O-N 2.93Å; A313-G317 WeakPolarHBondContact O-CA 3.19Å; A313-G317 PolarHBondContact O-N 3.24Å
314	D	96.6	Very high	96.2	Very high	32 Å²	32	43.3 Å²	43.3	17%	0.171	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-32.8	174.2	-77.5	-13.1	0	0	0	111.7	Y305 T308 N310 G311 I312 H318	Y305-D314 HydrophobicContact CD1-CB 3.96Å; Y305-D314 HydrophobicContact CD2-CB 3.78Å; Y305-D314 WeakPolarHBondContact CD2-O 3.4Å; Y305-D314 HydrophobicContact CE1-CB 4.15Å; Y305-D314 HydrophobicContact CE2-CB 3.96Å; Y305-D314 WeakPolarHBondContact CE2-O 3.12Å; Y305-D314 HydrophobicContact CG-CB 3.79Å; T308-D314 WeakPolarHBondContact CB-OD2 3.36Å; T308-D314 PolarHBondContact OG1-OD2 2.79Å; N310-D314 WeakPolarHBondContact CB-OD1 3.41Å; N310-D314 PolarHBondContact ND2-OD1 3.42Å; G311-D314 PolarHBondContact O-N 2.84Å; I312-D314 VanDerWaalsContact C-N 3.27Å; I312-D314 PolarHBondContact O-N 3.03Å; D314-H318 WeakPolarHBondContact O-CB 3.41Å; D314-H318 PolarHBondContact O-N 3.09Å
315	I	98	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-77	-56.3	176.9	-56.4	175.1	0	0	0	109.7	V174 W245 L296 Y305 I312 A313 G317 H318 Y321	V174-I315 HydrophobicContact CG1-CG2 4.08Å; V174-I315 HydrophobicContact CG2-CG2 3.78Å; W245-I315 HydrophobicContact CD2-CD1 3.56Å; W245-I315 HydrophobicContact CE3-CD1 3.35Å; W245-I315 HydrophobicContact CG-CD1 4.16Å; W245-I315 HydrophobicContact CH2-CD1 4.25Å; W245-I315 HydrophobicContact CZ2-CD1 4.41Å; W245-I315 HydrophobicContact CZ3-CD1 3.72Å; L296-I315 HydrophobicContact CD2-CD1 3.87Å; L296-I315 HydrophobicContact CD2-CG1 4.12Å; Y305-I315 HydrophobicContact CD2-CG1 4.45Å; I312-I315 HydrophobicContact CD1-CB 4.35Å; I312-I315 HydrophobicContact CD1-CD1 4.11Å; I312-I315 PolarHBondContact O-N 3.26Å; I312-I315 VanDerWaalsContact O-N 3.07Å; A313-I315 VanDerWaalsContact C-N 3.26Å; A313-I315 PolarHBondContact O-N 2.93Å; I315-G317 VanDerWaalsContact C-N 3.27Å; I315-G317 PolarHBondContact O-N 3.48Å; I315-H318 VanDerWaalsContact O-CB 3.27Å; I315-H318 WeakPolarHBondContact O-CB 3.36Å; I315-H318 PolarHBondContact O-N 2.88Å; I315-H318 VanDerWaalsContact O-N 3.12Å; I315-Y321 HydrophobicContact CG2-CD2 4.36Å; I315-Y321 HydrophobicContact CG2-CE2 3.78Å; I315-Y321 WeakPolarHBondContact O-CD2 3.45Å
316	K	96.5	Very high	95.9	Very high	17 Å²	17	47 Å²	47	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-31.2	-174.8	-68.9	173.9	74	169.5	0	113	V174 E178 I312 W326	V174-K316 HydrophobicContact CG1-CD 4.43Å; V174-K316 HydrophobicContact CG1-CG 3.86Å; E178-K316 IonicContact OE1-NZ 3.63Å; E178-K316 PolarHBondContact OE1-NZ 3.19Å; E178-K316 IonicContact OE2-NZ 3.48Å; E178-K316 PolarHBondContact OE2-NZ 3.49Å; I312-K316 HydrophobicContact CG1-CD 3.77Å; I312-K316 HydrophobicContact CG1-CG 4.13Å; I312-K316 PolarHBondContact O-N 2.98Å; K316-W326 VanDerWaalsContact CA-CZ2 3.48Å; K316-W326 HydrophobicContact CB-CD2 4.46Å; K316-W326 HydrophobicContact CB-CH2 4.31Å; K316-W326 HydrophobicContact CB-CZ2 3.7Å; K316-W326 HydrophobicContact CD-CD2 4.43Å; K316-W326 HydrophobicContact CD-CE3 4.47Å; K316-W326 HydrophobicContact CG-CD2 4.17Å; K316-W326 HydrophobicContact CG-CE3 4.25Å; K316-W326 HydrophobicContact CG-CH2 3.78Å; K316-W326 HydrophobicContact CG-CZ2 3.68Å; K316-W326 HydrophobicContact CG-CZ3 4.05Å; K316-W326 PolarHBondContact O-NE1 3.38Å
317	G	95.4	Very high	95.7	Very high	23 Å²	23	47.2 Å²	47.2	24%	0.237	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3	177.4	0	0	0	0	0	114.8	A313 I315	A313-G317 WeakPolarHBondContact O-CA 3.19Å; A313-G317 PolarHBondContact O-N 3.24Å; I315-G317 VanDerWaalsContact C-N 3.27Å; I315-G317 PolarHBondContact O-N 3.48Å
318	H	98.2	Very high	95.7	Very high	12 Å²	12	46 Å²	46	6%	0.056	27%	0.266	C	S	.	.	S	Bend	trans	-62	142.5	-179.9	-166.9	-99.8	0	0	0	111.6	K288 D291 L292 Y305 D314 I315 W320 Y321	K288-H318 PolarHBondContact O-CE1 2.85Å; K288-H318 VanDerWaalsContact O-CE1 3.26Å; D291-H318 IonicContact OD2-CE1 2.63Å; D291-H318 IonicContact OD2-NE2 3.77Å; D291-H318 PolarHBondContact OD2-NE2 3.42Å; L292-H318 HydrophobicContact CD1-CB 4.11Å; L292-H318 PolarHBondContact N-CE1 3.35Å; Y305-H318 AromaticContact CE2-CD2 3.77Å; D314-H318 WeakPolarHBondContact O-CB 3.41Å; D314-H318 PolarHBondContact O-N 3.09Å; I315-H318 VanDerWaalsContact O-CB 3.27Å; I315-H318 WeakPolarHBondContact O-CB 3.36Å; I315-H318 PolarHBondContact O-N 2.88Å; I315-H318 VanDerWaalsContact O-N 3.12Å; H318-W320 VanDerWaalsContact ND1-CB 3.25Å; H318-W320 WeakPolarHBondContact ND1-CB 3.4Å; H318-W320 PolarHBondContact ND1-N 3.15Å; H318-W320 VanDerWaalsContact ND1-N 3.11Å; H318-W320 PolarHBondContact O-N 3.01Å; H318-Y321 HydrophobicContact CB-CD2 4.46Å; H318-Y321 PolarHBondContact O-N 2.98Å
319	K	98	Very high	95.7	Very high	151 Å²	151	44.6 Å²	44.6	66%	0.657	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28	-179	-68.9	178.3	-177.7	170.7	0	113.2	K288 Y321 S322	K288-K319 HydrophobicContact CD-CB 4.35Å; K288-K319 HydrophobicContact CG-CB 4.32Å; K319-Y321 VanDerWaalsContact C-N 3.3Å; K319-S322 WeakPolarHBondContact O-CB 3.44Å; K319-S322 PolarHBondContact O-N 2.9Å
320	W	98.6	Very high	95.8	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.023	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-66.7	-29.3	175.9	-167.9	71.9	0	0	0	113.1	E163 V166 Q167 S170 I252 K288 L289 L292 H318 S322	E163-W320 HydrophobicContact CG-CZ2 3.85Å; E163-W320 PolarHBondContact OE1-NE1 3.19Å; V166-W320 HydrophobicContact CB-CH2 4.34Å; V166-W320 HydrophobicContact CG1-CH2 3.94Å; V166-W320 HydrophobicContact CG1-CZ2 4.4Å; Q167-W320 VanDerWaalsContact CA-CH2 3.48Å; Q167-W320 HydrophobicContact CB-CH2 3.78Å; Q167-W320 HydrophobicContact CB-CZ2 4.17Å; Q167-W320 HydrophobicContact CB-CZ3 4.07Å; Q167-W320 HydrophobicContact CG-CE3 4.29Å; Q167-W320 HydrophobicContact CG-CH2 4.2Å; Q167-W320 HydrophobicContact CG-CZ3 3.99Å; Q167-W320 PolarHBondContact NE2-O 2.99Å; S170-W320 WeakPolarHBondContact OG-CZ3 3.16Å; I252-W320 HydrophobicContact CG2-CH2 4.2Å; K288-W320 HydrophobicContact CB-CB 4.06Å; K288-W320 HydrophobicContact CB-CG 4.37Å; L289-W320 HydrophobicContact CD1-CD2 4.32Å; L289-W320 HydrophobicContact CD1-CZ2 3.83Å; L289-W320 VanDerWaalsContact N-CD1 3.26Å; L292-W320 HydrophobicContact CB-CB 4.2Å; L292-W320 HydrophobicContact CD2-CB 4.07Å; L292-W320 HydrophobicContact CD2-CD2 3.79Å; L292-W320 HydrophobicContact CD2-CE3 3.29Å; L292-W320 HydrophobicContact CD2-CG 4.13Å; L292-W320 HydrophobicContact CD2-CZ3 3.97Å; H318-W320 VanDerWaalsContact ND1-CB 3.25Å; H318-W320 WeakPolarHBondContact ND1-CB 3.4Å; H318-W320 PolarHBondContact ND1-N 3.15Å; H318-W320 VanDerWaalsContact ND1-N 3.11Å; H318-W320 PolarHBondContact O-N 3.01Å; W320-S322 VanDerWaalsContact C-N 3.32Å
321	Y	98.2	Very high	95.8	Very high	4 Å²	4	35 Å²	35	2%	0.016	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-90.7	9.3	173.4	-74.4	-69.6	0	0	0	113.3	Q167 S170 A171 L292 I315 H318 K319 G323 V324 W326	Q167-Y321 HydrophobicContact CG-CD1 3.84Å; Q167-Y321 HydrophobicContact CG-CE1 4.13Å; S170-Y321 WeakPolarHBondContact CB-OH 3.49Å; S170-Y321 WeakPolarHBondContact OG-CE1 3.34Å; S170-Y321 PolarHBondContact OG-OH 3.3Å; A171-Y321 HydrophobicContact CB-CD1 4.35Å; A171-Y321 HydrophobicContact CB-CE1 3.96Å; L292-Y321 HydrophobicContact CD2-CD2 4.24Å; L292-Y321 HydrophobicContact CD2-CE2 3.7Å; I315-Y321 HydrophobicContact CG2-CD2 4.36Å; I315-Y321 HydrophobicContact CG2-CE2 3.78Å; I315-Y321 WeakPolarHBondContact O-CD2 3.45Å; H318-Y321 HydrophobicContact CB-CD2 4.46Å; H318-Y321 PolarHBondContact O-N 2.98Å; K319-Y321 VanDerWaalsContact C-N 3.3Å; Y321-G323 PolarHBondContact O-N 3.21Å; Y321-V324 HydrophobicContact CD1-CG2 4.07Å; Y321-V324 WeakPolarHBondContact O-CB 3.17Å; Y321-V324 WeakPolarHBondContact O-CG2 3.32Å; Y321-V324 PolarHBondContact O-N 2.98Å; Y321-V324 VanDerWaalsContact O-N 3.09Å; Y321-W326 AromaticContact CD1-CH2 3.88Å; Y321-W326 HydrophobicContact CD1-CH2 3.88Å; Y321-W326 HydrophobicContact CD1-CZ2 4.01Å; Y321-W326 HydrophobicContact CD2-CH2 4.46Å; Y321-W326 HydrophobicContact CD2-CZ2 4.43Å; Y321-W326 HydrophobicContact CE1-CH2 4.14Å; Y321-W326 HydrophobicContact CG-CH2 4.04Å; Y321-W326 AromaticContact CG-CZ2 3.85Å; Y321-W326 HydrophobicContact CG-CZ2 3.85Å
322	S	95.3	Very high	96	Very high	88 Å²	88	37.1 Å²	37.1	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.5	176.1	-170.1	0	0	0	0	110.5	K319 W320	K319-S322 WeakPolarHBondContact O-CB 3.44Å; K319-S322 PolarHBondContact O-N 2.9Å; W320-S322 VanDerWaalsContact C-N 3.32Å
323	G	92.5	Very high	96.1	Very high	78 Å²	78	42.3 Å²	42.3	80%	0.804	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.4	-11.4	-176.4	0	0	0	0	0	114.7	Y321 D325	Y321-G323 PolarHBondContact O-N 3.21Å; G323-D325 PolarHBondContact O-N 3.39Å
324	V	95.6	Very high	96.2	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	24%	0.24	C	C	.	.			trans	-73	115.5	172.1	177.7	0	0	0	0	109.9	Q167 A171 Y321 W326 L329	Q167-V324 HydrophobicContact CG-CG2 3.82Å; A171-V324 HydrophobicContact CB-CG1 4.11Å; Y321-V324 HydrophobicContact CD1-CG2 4.07Å; Y321-V324 WeakPolarHBondContact O-CB 3.17Å; Y321-V324 WeakPolarHBondContact O-CG2 3.32Å; Y321-V324 PolarHBondContact O-N 2.98Å; Y321-V324 VanDerWaalsContact O-N 3.09Å; V324-W326 HydrophobicContact CB-CZ2 4.49Å; V324-W326 HydrophobicContact CG1-CD2 3.98Å; V324-W326 HydrophobicContact CG1-CE3 4.21Å; V324-W326 HydrophobicContact CG1-CG 4.39Å; V324-W326 HydrophobicContact CG1-CZ2 4.28Å; V324-W326 HydrophobicContact CG1-CZ3 4.49Å; V324-W326 PolarHBondContact O-N 3.08Å; V324-L329 HydrophobicContact CG1-CD2 4.4Å
325	D	95.4	Very high	96.3	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	27%	0.268	S	S	.	.			trans	-80.3	97.2	165.6	-175.8	-21.5	0	0	0	109.1	G323 I327 A328 L329	G323-D325 PolarHBondContact O-N 3.39Å; D325-I327 VanDerWaalsContact C-N 3.25Å; D325-I327 PolarHBondContact O-N 3.26Å; D325-I327 PolarHBondContact OD1-N 3.48Å; D325-A328 HydrophobicContact CB-CB 3.89Å; D325-A328 PolarHBondContact O-N 2.98Å; D325-A328 PolarHBondContact OD1-N 2.92Å; D325-A328 WeakPolarHBondContact OD2-CB 3.44Å; D325-L329 WeakPolarHBondContact O-CB 3.45Å; D325-L329 PolarHBondContact O-N 2.75Å
326	W	95	Very high	96.3	Very high	33 Å²	33	48.5 Å²	48.5	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-31.3	-178.4	-63.3	99.8	0	0	0	113.3	A171 V174 L175 K316 Y321 V324 F330	A171-W326 HydrophobicContact CB-CE3 4.49Å; A171-W326 HydrophobicContact CB-CH2 3.99Å; A171-W326 HydrophobicContact CB-CZ3 3.72Å; V174-W326 HydrophobicContact CB-CH2 4.33Å; V174-W326 HydrophobicContact CB-CZ3 4.14Å; V174-W326 HydrophobicContact CG1-CH2 3.97Å; V174-W326 HydrophobicContact CG1-CZ3 3.89Å; L175-W326 HydrophobicContact CD1-CE3 4.2Å; L175-W326 HydrophobicContact CD2-CE3 3.67Å; L175-W326 HydrophobicContact CD2-CZ3 4.22Å; L175-W326 HydrophobicContact CG-CE3 3.84Å; L175-W326 HydrophobicContact CG-CZ3 4.15Å; K316-W326 VanDerWaalsContact CA-CZ2 3.48Å; K316-W326 HydrophobicContact CB-CD2 4.46Å; K316-W326 HydrophobicContact CB-CH2 4.31Å; K316-W326 HydrophobicContact CB-CZ2 3.7Å; K316-W326 HydrophobicContact CD-CD2 4.43Å; K316-W326 HydrophobicContact CD-CE3 4.47Å; K316-W326 HydrophobicContact CG-CD2 4.17Å; K316-W326 HydrophobicContact CG-CE3 4.25Å; K316-W326 HydrophobicContact CG-CH2 3.78Å; K316-W326 HydrophobicContact CG-CZ2 3.68Å; K316-W326 HydrophobicContact CG-CZ3 4.05Å; K316-W326 PolarHBondContact O-NE1 3.38Å; Y321-W326 AromaticContact CD1-CH2 3.88Å; Y321-W326 HydrophobicContact CD1-CH2 3.88Å; Y321-W326 HydrophobicContact CD1-CZ2 4.01Å; Y321-W326 HydrophobicContact CD2-CH2 4.46Å; Y321-W326 HydrophobicContact CD2-CZ2 4.43Å; Y321-W326 HydrophobicContact CE1-CH2 4.14Å; Y321-W326 HydrophobicContact CG-CH2 4.04Å; Y321-W326 AromaticContact CG-CZ2 3.85Å; Y321-W326 HydrophobicContact CG-CZ2 3.85Å; V324-W326 HydrophobicContact CB-CZ2 4.49Å; V324-W326 HydrophobicContact CG1-CD2 3.98Å; V324-W326 HydrophobicContact CG1-CE3 4.21Å; V324-W326 HydrophobicContact CG1-CG 4.39Å; V324-W326 HydrophobicContact CG1-CZ2 4.28Å; V324-W326 HydrophobicContact CG1-CZ3 4.49Å; V324-W326 PolarHBondContact O-N 3.08Å; W326-F330 WeakPolarHBondContact O-CB 3.34Å; W326-F330 PolarHBondContact O-N 3.31Å
327	I	94	Very high	96.3	Very high	22 Å²	22	50.8 Å²	50.8	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-77.1	-48.8	179.6	-67.3	170.3	0	0	0	109.5	D34 Y36 F37 D325 L329 F330 E331	D34-I327 HydrophobicContact CB-CD1 4.3Å; D34-I327 WeakPolarHBondContact OD2-CD1 3.38Å; Y36-I327 HydrophobicContact CD1-CD1 3.77Å; Y36-I327 HydrophobicContact CD1-CG1 4.29Å; Y36-I327 HydrophobicContact CD1-CG2 4.22Å; Y36-I327 HydrophobicContact CE1-CG2 4Å; F37-I327 HydrophobicContact CB-CG1 4.46Å; D325-I327 VanDerWaalsContact C-N 3.25Å; D325-I327 PolarHBondContact O-N 3.26Å; D325-I327 PolarHBondContact OD1-N 3.48Å; I327-L329 PolarHBondContact O-N 3.16Å; I327-F330 PolarHBondContact O-N 2.85Å; I327-F330 VanDerWaalsContact O-N 3.16Å; I327-E331 HydrophobicContact CG2-CG 4.15Å; I327-E331 WeakPolarHBondContact O-CB 3.18Å; I327-E331 WeakPolarHBondContact O-CG 3.18Å; I327-E331 PolarHBondContact O-N 3.28Å
328	A	95.2	Very high	96.4	Very high	13 Å²	13	51.8 Å²	51.8	11%	0.107	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-34.2	175.8	0	0	0	0	0	111.5	D325 R332 K333 L334	D325-A328 HydrophobicContact CB-CB 3.89Å; D325-A328 PolarHBondContact O-N 2.98Å; D325-A328 PolarHBondContact OD1-N 2.92Å; D325-A328 WeakPolarHBondContact OD2-CB 3.44Å; A328-R332 PolarHBondContact O-N 3.36Å; A328-R332 VanDerWaalsContact O-N 3.1Å; A328-K333 HydrophobicContact CB-CB 4.26Å; A328-K333 PolarHBondContact O-N 2.84Å; A328-L334 HydrophobicContact CB-CD2 3.68Å; A328-L334 HydrophobicContact CB-CG 3.97Å
329	L	96.5	Very high	96.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-52	173	-174	67.5	0	0	0	111.2	F125 F168 A171 Q172 L175 Y202 V324 D325 I327 E331 R332 L334	F125-L329 HydrophobicContact CZ-CG 4.36Å; F125-L329 WeakPolarHBondContact CZ-O 3.32Å; F168-L329 HydrophobicContact CD2-CD1 3.95Å; F168-L329 HydrophobicContact CE2-CD1 3.69Å; F168-L329 HydrophobicContact CZ-CD1 4.41Å; A171-L329 HydrophobicContact CB-CD2 3.4Å; Q172-L329 HydrophobicContact CG-CD1 3.84Å; Q172-L329 HydrophobicContact CG-CD2 4.09Å; Q172-L329 HydrophobicContact CG-CG 4.11Å; L175-L329 HydrophobicContact CD1-CB 4.41Å; L175-L329 HydrophobicContact CD1-CD2 3.91Å; L175-L329 HydrophobicContact CD1-CG 4.21Å; Y202-L329 HydrophobicContact CE1-CD1 3.87Å; V324-L329 HydrophobicContact CG1-CD2 4.4Å; D325-L329 WeakPolarHBondContact O-CB 3.45Å; D325-L329 PolarHBondContact O-N 2.75Å; I327-L329 PolarHBondContact O-N 3.16Å; L329-E331 VanDerWaalsContact C-N 3.34Å; L329-E331 PolarHBondContact O-N 2.85Å; L329-R332 WeakPolarHBondContact O-CA 3.5Å; L329-R332 PolarHBondContact O-N 3.14Å; L329-L334 HydrophobicContact CB-CD1 3.82Å; L329-L334 HydrophobicContact CD1-CD1 3.98Å; L329-L334 HydrophobicContact CG-CD1 4.49Å
330	F	95.4	Very high	96.3	Very high	25 Å²	25	49.6 Å²	49.6	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-44.3	177.1	173.1	-96.8	0	0	0	112.6	F37 I40 Y123 P124 L175 W326 I327 R332	F37-F330 HydrophobicContact CE2-CB 3.96Å; F37-F330 HydrophobicContact CE2-CD2 4.05Å; F37-F330 AromaticContact CE2-CG 3.96Å; F37-F330 HydrophobicContact CE2-CG 3.96Å; I40-F330 HydrophobicContact CD1-CD1 4.13Å; I40-F330 HydrophobicContact CD1-CE1 3.96Å; I40-F330 HydrophobicContact CG2-CD1 4.27Å; I40-F330 HydrophobicContact CG2-CE1 3.49Å; I40-F330 VanDerWaalsContact CG2-CE1 3.49Å; I40-F330 HydrophobicContact CG2-CE2 4.07Å; I40-F330 HydrophobicContact CG2-CZ 3.36Å; Y123-F330 HydrophobicContact CD2-CE2 4.25Å; Y123-F330 HydrophobicContact CE1-CD2 4.39Å; Y123-F330 HydrophobicContact CE1-CE2 4.33Å; Y123-F330 HydrophobicContact CE2-CD2 4.22Å; Y123-F330 AromaticContact CE2-CE2 3.54Å; Y123-F330 HydrophobicContact CE2-CE2 3.54Å; Y123-F330 AromaticContact CZ-CD2 3.78Å; Y123-F330 AromaticContact CZ-CE2 3.58Å; Y123-F330 WeakPolarHBondContact OH-CD2 3.39Å; P124-F330 HydrophobicContact CG-CD2 4.07Å; P124-F330 HydrophobicContact CG-CE2 3.63Å; P124-F330 HydrophobicContact CG-CZ 4.02Å; L175-F330 HydrophobicContact CD1-CB 4.15Å; W326-F330 WeakPolarHBondContact O-CB 3.34Å; W326-F330 PolarHBondContact O-N 3.31Å; I327-F330 PolarHBondContact O-N 2.85Å; I327-F330 VanDerWaalsContact O-N 3.16Å; F330-R332 PolarHBondContact O-N 3.43Å
331	E	95.2	Very high	96.1	Very high	57 Å²	57	54.1 Å²	54.1	27%	0.266	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-0.6	176.8	-66.7	-177.6	156	0	0	112.9	I327 L329 K333	I327-E331 HydrophobicContact CG2-CG 4.15Å; I327-E331 WeakPolarHBondContact O-CB 3.18Å; I327-E331 WeakPolarHBondContact O-CG 3.18Å; I327-E331 PolarHBondContact O-N 3.28Å; L329-E331 VanDerWaalsContact C-N 3.34Å; L329-E331 PolarHBondContact O-N 2.85Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 HydrophobicContact CB-CD 3.99Å; E331-K333 HydrophobicContact CB-CG 4.03Å; E331-K333 PolarHBondContact O-N 3.39Å; E331-K333 IonicContact OE1-NZ 2.77Å; E331-K333 WeakPolarHBondContact OE2-CD 3.23Å; E331-K333 WeakPolarHBondContact OE2-CE 3.38Å; E331-K333 IonicContact OE2-NZ 3.11Å; E331-K333 PolarHBondContact OE2-NZ 3.34Å
332	R	97.3	Very high	95.9	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.245	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	41.6	178.9	-57.5	176.8	52.6	139.5	3.7	113.7	P124 F125 D198 Y202 A328 L329 F330	P124-R332 HydrophobicContact CB-CG 4.4Å; F125-R332 HydrophobicContact CE1-CG 4.18Å; D198-R332 VanDerWaalsContact CG-NH2 3.27Å; D198-R332 IonicContact OD1-NH2 3.69Å; D198-R332 PolarHBondContact OD1-NH2 3.03Å; D198-R332 IonicContact OD2-CZ 3.18Å; D198-R332 IonicContact OD2-NH1 2.68Å; D198-R332 PolarHBondContact OD2-NH1 3.44Å; D198-R332 IonicContact OD2-NH2 3.19Å; D198-R332 PolarHBondContact OD2-NH2 3.17Å; Y202-R332 HydrophobicContact CD1-CG 4.1Å; Y202-R332 HydrophobicContact CE1-CB 4.11Å; Y202-R332 HydrophobicContact CE1-CG 4.02Å; Y202-R332 HydrophobicContact CE2-CB 4.21Å; Y202-R332 HydrophobicContact CG-CG 4.49Å; Y202-R332 VanDerWaalsContact OH-C 3.25Å; Y202-R332 WeakPolarHBondContact OH-CA 3.49Å; A328-R332 PolarHBondContact O-N 3.36Å; A328-R332 VanDerWaalsContact O-N 3.1Å; L329-R332 WeakPolarHBondContact O-CA 3.5Å; L329-R332 PolarHBondContact O-N 3.14Å; F330-R332 PolarHBondContact O-N 3.43Å
333	K	97	Very high	95.7	Very high	136 Å²	136	61.8 Å²	61.8	59%	0.591	33%	0.333	S	S	*	.			trans	-103.3	-11	-178.2	-67.6	178.9	178.5	169.5	0	114.2	Y202 A328 E331	Y202-K333 PolarHBondContact OH-N 3.32Å; A328-K333 HydrophobicContact CB-CB 4.26Å; A328-K333 PolarHBondContact O-N 2.84Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 HydrophobicContact CB-CD 3.99Å; E331-K333 HydrophobicContact CB-CG 4.03Å; E331-K333 PolarHBondContact O-N 3.39Å; E331-K333 IonicContact OE1-NZ 2.77Å; E331-K333 WeakPolarHBondContact OE2-CD 3.23Å; E331-K333 WeakPolarHBondContact OE2-CE 3.38Å; E331-K333 IonicContact OE2-NZ 3.11Å; E331-K333 PolarHBondContact OE2-NZ 3.34Å
334	L	96.8	Very high	95.6	Very high	48 Å²	48	64 Å²	64	25%	0.251	32%	0.323	S	S	.	.	S	Bend	trans	-77	141.2	175.8	-62	-175.8	0	0	0	110	F168 Y202 A328 L329 A336	F168-L334 HydrophobicContact CE2-CB 4.15Å; Y202-L334 PolarHBondContact OH-N 2.73Å; Y202-L334 PolarHBondContact OH-O 2.97Å; A328-L334 HydrophobicContact CB-CD2 3.68Å; A328-L334 HydrophobicContact CB-CG 3.97Å; L329-L334 HydrophobicContact CB-CD1 3.82Å; L329-L334 HydrophobicContact CD1-CD1 3.98Å; L329-L334 HydrophobicContact CG-CD1 4.49Å; L334-A336 PolarHBondContact O-N 2.93Å
335	P	97.5	Very high	95.4	Very high	116 Å²	116	66.2 Å²	66.2	75%	0.753	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-66.2	128.6	173.4	27.8	-33.2	0	0	0	109.7
336	A	98.1	Very high	95.2	Very high	18 Å²	18	62.7 Å²	62.7	15%	0.149	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73	139.9	176.3	0	0	0	0	0	110.5	F168 K200 L334 Y338 I339	F168-A336 HydrophobicContact CE1-CB 4Å; F168-A336 HydrophobicContact CZ-CB 3.88Å; K200-A336 VanDerWaalsContact O-CB 3.28Å; K200-A336 WeakPolarHBondContact O-CB 3.48Å; L334-A336 PolarHBondContact O-N 2.93Å; A336-Y338 PolarHBondContact O-N 2.83Å; A336-I339 HydrophobicContact CB-CG1 4.48Å
337	P	97.6	Very high	95.1	Very high	64 Å²	64	61.8 Å²	61.8	42%	0.416	32%	0.323	S	S	.	.	S	Bend	trans	-69.7	-17.9	179.8	29.9	-36.2	0	0	0	113	M165 F168	M165-P337 HydrophobicContact CB-CB 3.99Å; M165-P337 HydrophobicContact CB-CG 4.06Å; M165-P337 HydrophobicContact CG-CB 3.98Å; M165-P337 HydrophobicContact CG-CG 3.72Å; F168-P337 HydrophobicContact CB-CG 4.22Å; F168-P337 HydrophobicContact CD1-CG 3.7Å; F168-P337 VanDerWaalsContact CE1-CD 3.43Å; F168-P337 HydrophobicContact CE1-CG 4.32Å; F168-P337 HydrophobicContact CG-CG 4.1Å
338	Y	98	Very high	95	Very high	45 Å²	45	61.9 Å²	61.9	18%	0.176	33%	0.325	C	S	.	.			trans	-144.2	130.6	175.7	170.1	-101.3	0	0	0	109.1	L154 R157 I197 G201 A336 P340	L154-Y338 HydrophobicContact CD1-CD1 4.23Å; L154-Y338 HydrophobicContact CD1-CD2 4.22Å; L154-Y338 HydrophobicContact CD1-CE1 4.03Å; L154-Y338 HydrophobicContact CD1-CE2 4.04Å; L154-Y338 HydrophobicContact CD1-CG 4.3Å; L154-Y338 HydrophobicContact CD2-CD1 3.45Å; L154-Y338 VanDerWaalsContact CD2-CD1 3.45Å; L154-Y338 HydrophobicContact CD2-CE1 3.81Å; L154-Y338 HydrophobicContact CD2-CG 3.88Å; L154-Y338 HydrophobicContact CG-CD1 4.49Å; R157-Y338 VanDerWaalsContact NH2-CZ 3.28Å; R157-Y338 PolarHBondContact NH2-OH 2.87Å; I197-Y338 HydrophobicContact CD1-CD1 4.3Å; I197-Y338 HydrophobicContact CD1-CE1 4.34Å; G201-Y338 WeakPolarHBondContact CA-O 3.42Å; A336-Y338 PolarHBondContact O-N 2.83Å; Y338-P340 HydrophobicContact CE1-CB 3.85Å; Y338-P340 HydrophobicContact CE1-CG 4.5Å
339	I	97.4	Very high	94.8	Very high	111 Å²	111	64.6 Å²	64.6	57%	0.569	34%	0.344	S	S	*	.			trans	-114.4	117.7	173	-60.5	177.5	0	0	0	106.9	A336	A336-I339 HydrophobicContact CB-CG1 4.48Å
340	P	96	Very high	94.7	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.039	35%	0.352	C	S	.	.			trans	-67	147.1	177.8	28.2	-33.1	0	0	0	110.6	I197 D198 Y338 C342	I197-P340 HydrophobicContact CG2-CG 4.02Å; D198-P340 WeakPolarHBondContact O-CD 3.37Å; D198-P340 VanDerWaalsContact O-CG 3.24Å; D198-P340 WeakPolarHBondContact O-CG 3.27Å; Y338-P340 HydrophobicContact CE1-CB 3.85Å; Y338-P340 HydrophobicContact CE1-CG 4.5Å; P340-C342 PolarHBondContact O-N 3.12Å
341	T	95.5	Very high	94.3	Very high	101 Å²	101	66.7 Å²	66.7	62%	0.62	35%	0.354	S	S	*	.			trans	-74.6	116.4	170.4	-52.8	0	0	0	0	108.6	N350	T341-N350 PolarHBondContact O-ND2 3.37Å
342	C	92.8	Very high	93.9	Very high	38 Å²	38	67.3 Å²	67.3	26%	0.257	36%	0.357	S	S	.	.			trans	-127.6	105.5	173.2	-56.9	0	0	0	0	108	N147 P340 D347	N147-C342 PolarHBondContact OD1-SG 3.32Å; N147-C342 VanDerWaalsContact OD1-SG 3.35Å; P340-C342 PolarHBondContact O-N 3.12Å; C342-D347 WeakPolarHBondContact CA-OD2 3.49Å
343	R	90.6	Very high	93.5	Very high	214 Å²	214	72.4 Å²	72.4	81%	0.808	38%	0.384	S	S	*	.			trans	-69.8	-36.4	-173.9	-61.8	178.8	-175.6	177	2.2	112.5	D347	R343-D347 PolarHBondContact N-OD2 3.45Å
344	E	91.3	Very high	93.1	Very high	126 Å²	126	68 Å²	68	59%	0.589	36%	0.364	S	S	*	.	S	Bend	trans	-149.6	171	-178.3	63.5	-177	160.8	0	0	111.5	N147 G346 D347	N147-E344 PolarHBondContact ND2-O 3Å; E344-G346 VanDerWaalsContact C-N 3.26Å; E344-G346 PolarHBondContact O-N 3.33Å; E344-D347 HydrophobicContact CG-CB 4.14Å; E344-D347 VanDerWaalsContact O-CB 3.23Å; E344-D347 WeakPolarHBondContact O-CB 3.48Å; E344-D347 PolarHBondContact O-N 2.97Å; E344-D347 VanDerWaalsContact O-N 3.11Å
345	A	90.5	Very high	92.7	Very high	69 Å²	69	73.6 Å²	73.6	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.6	-176.2	0	0	0	0	0	113.1	Y91 L145	Y91-A345 HydrophobicContact CD2-CB 3.87Å; Y91-A345 HydrophobicContact CE2-CB 4.26Å; L145-A345 VanDerWaalsContact CD2-O 3.24Å; L145-A345 WeakPolarHBondContact CD2-O 3.26Å
346	G	90.9	Very high	92.2	Very high	8 Å²	8	72.2 Å²	72.2	8%	0.082	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	12.6	177.7	0	0	0	0	0	114.5	L82 E344 T348	L82-G346 WeakPolarHBondContact CD2-O 3.39Å; E344-G346 VanDerWaalsContact C-N 3.26Å; E344-G346 PolarHBondContact O-N 3.33Å; G346-T348 PolarHBondContact O-N 3.05Å
347	D	92.7	Very high	91.6	Very high	14 Å²	14	77.2 Å²	77.2	8%	0.075	39%	0.392	C	S	.	.			trans	-60.4	128	-176.5	-171.8	-3.7	0	0	0	111.2	C342 R343 E344 S349	C342-D347 WeakPolarHBondContact CA-OD2 3.49Å; R343-D347 PolarHBondContact N-OD2 3.45Å; E344-D347 HydrophobicContact CG-CB 4.14Å; E344-D347 VanDerWaalsContact O-CB 3.23Å; E344-D347 WeakPolarHBondContact O-CB 3.48Å; E344-D347 PolarHBondContact O-N 2.97Å; E344-D347 VanDerWaalsContact O-N 3.11Å; D347-S349 VanDerWaalsContact CG-OG 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.17Å; D347-S349 PolarHBondContact OD1-N 2.76Å; D347-S349 PolarHBondContact OD1-OG 2.84Å; D347-S349 PolarHBondContact OD2-OG 2.56Å
348	T	92.1	Very high	91	Very high	24 Å²	24	80 Å²	80	15%	0.147	41%	0.41	C	S	.	.			trans	-114.9	10.6	178.4	62.4	0	0	0	0	113.5	K70 L72 L82 G346 N350 F351	K70-T348 HydrophobicContact CD-CG2 4.33Å; K70-T348 PolarHBondContact NZ-OG1 2.75Å; L72-T348 HydrophobicContact CD2-CG2 3.62Å; L82-T348 HydrophobicContact CD2-CG2 3.57Å; G346-T348 PolarHBondContact O-N 3.05Å; T348-N350 PolarHBondContact O-N 2.78Å; T348-N350 VanDerWaalsContact O-N 3.15Å; T348-F351 PolarHBondContact O-N 2.8Å
349	S	92.8	Very high	90.5	Very high	71 Å²	71	79.6 Å²	79.6	50%	0.497	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.9	-176.9	59.1	0	0	0	0	114.4	D347	D347-S349 VanDerWaalsContact CG-OG 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.17Å; D347-S349 PolarHBondContact OD1-N 2.76Å; D347-S349 PolarHBondContact OD1-OG 2.84Å; D347-S349 PolarHBondContact OD2-OG 2.56Å
350	N	92.4	Very high	90	Very high	35 Å²	35	80.6 Å²	80.6	19%	0.187	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	2.3	174.2	-60.4	-61.7	0	0	0	113.7	N147 T341 T348	N147-N350 PolarHBondContact O-ND2 3.3Å; T341-N350 PolarHBondContact O-ND2 3.37Å; T348-N350 PolarHBondContact O-N 2.78Å; T348-N350 VanDerWaalsContact O-N 3.15Å
351	F	88.6	Confident	89.5	Confident	35 Å²	35	85.8 Å²	85.8	15%	0.154	44%	0.435	C	S	.	.	S	Bend	trans	-108.8	150.6	177.2	-61.2	-95.3	0	0	0	111	L72 L145 V146 T348	L72-F351 HydrophobicContact CB-CD1 4.07Å; L72-F351 HydrophobicContact CB-CE1 4.27Å; L72-F351 HydrophobicContact CD1-CE1 4.42Å; L72-F351 HydrophobicContact CD1-CZ 4.4Å; L72-F351 HydrophobicContact CD2-CB 4.37Å; L72-F351 HydrophobicContact CD2-CD1 4.11Å; L72-F351 HydrophobicContact CD2-CD2 3.95Å; L72-F351 HydrophobicContact CD2-CE1 4.34Å; L72-F351 HydrophobicContact CD2-CE2 4.15Å; L72-F351 HydrophobicContact CD2-CG 3.89Å; L72-F351 HydrophobicContact CD2-CZ 4.33Å; L145-F351 HydrophobicContact CD1-CZ 4.48Å; V146-F351 VanDerWaalsContact O-CZ 3.28Å; V146-F351 WeakPolarHBondContact O-CZ 3.39Å; T348-F351 PolarHBondContact O-N 2.8Å
352	E	87.1	Confident	88.9	Confident	69 Å²	69	82.8 Å²	82.8	32%	0.322	42%	0.418	S	S	.	.			trans	-65.5	158.5	171.8	-63.6	177.6	155.2	0	0	111.4	Y354 Y395	E352-Y354 HydrophobicContact CB-CD2 4.41Å; E352-Y354 HydrophobicContact CB-CE2 3.7Å; E352-Y354 WeakPolarHBondContact O-CD2 3.34Å; E352-Y354 PolarHBondContact OE2-OH 3.46Å; E352-Y395 PolarHBondContact OE1-OH 3.13Å
353	E	87.9	Confident	88.4	Confident	172 Å²	172	89.1 Å²	89.1	80%	0.804	45%	0.449	S	S	*	.			trans	-87.6	134.6	171.7	-64.6	-169.1	163.6	0	0	110.4
354	Y	89.1	Confident	87.9	Confident	45 Å²	45	84.9 Å²	84.9	18%	0.176	44%	0.438	C	S	.	.			trans	-126.4	150	-179.4	-69.7	-86.4	0	0	0	109.6	T71 L72 T74 E352 E356 K394	T71-Y354 HydrophobicContact CG2-CG 4.21Å; L72-Y354 WeakPolarHBondContact O-CE2 2.97Å; T74-Y354 HydrophobicContact CG2-CD1 3.88Å; T74-Y354 HydrophobicContact CG2-CE1 4.46Å; T74-Y354 HydrophobicContact CG2-CG 4.41Å; E352-Y354 HydrophobicContact CB-CD2 4.41Å; E352-Y354 HydrophobicContact CB-CE2 3.7Å; E352-Y354 WeakPolarHBondContact O-CD2 3.34Å; E352-Y354 PolarHBondContact OE2-OH 3.46Å; Y354-E356 PolarHBondContact O-N 3.15Å; Y354-K394 PolarHBondContact OH-NZ 2.94Å
355	E	87.6	Confident	87.4	Confident	164 Å²	164	81.5 Å²	81.5	77%	0.766	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.3	131.8	173.3	-166.2	174.9	-178.8	0	0	110.8	R79 E357	R79-E355 PolarHBondContact NH1-O 3.22Å; E355-E357 PolarHBondContact O-N 3.37Å
356	E	87.9	Confident	86.9	Confident	87 Å²	87	78.2 Å²	78.2	41%	0.407	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-80.5	116.5	175.6	-60.9	-60.1	166.2	0	0	109.3	K70 T71 R79 Y354	K70-E356 WeakPolarHBondContact CA-OE1 3.07Å; T71-E356 WeakPolarHBondContact CB-OE2 3.4Å; T71-E356 PolarHBondContact N-OE1 2.96Å; T71-E356 PolarHBondContact OG1-OE2 3.04Å; R79-E356 IonicContact NH1-OE2 3.16Å; Y354-E356 PolarHBondContact O-N 3.15Å
357	E	84	Confident	85.9	Confident	123 Å²	123	78.8 Å²	78.8	58%	0.575	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-101.3	136.8	174.3	-64.9	170.5	168.1	0	0	109.1	R79 E355	R79-E357 IonicContact CZ-OE2 2.72Å; R79-E357 VanDerWaalsContact NH1-N 3.18Å; R79-E357 VanDerWaalsContact NH2-CB 3.27Å; R79-E357 IonicContact NH2-OE1 2.91Å; R79-E357 IonicContact NH2-OE2 2.71Å; R79-E357 PolarHBondContact NH2-OE2 3.11Å; E355-E357 PolarHBondContact O-N 3.37Å
358	P	85.4	Confident	84.7	Confident	122 Å²	122	85.9 Å²	85.9	79%	0.792	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64	141.4	174.6	26.9	-32.8	0	0	0	110.6
359	M	87.4	Confident	83.4	Confident	38 Å²	38	88.5 Å²	88.5	19%	0.187	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-87	127.3	174.3	-59.7	-170.7	-3.9	0	0	110.8	K68 I96 Y138 Y140 F361	K68-M359 HydrophobicContact CD-SD 4.15Å; I96-M359 HydrophobicContact CD1-SD 3.68Å; I96-M359 HydrophobicContact CG2-SD 4.25Å; Y138-M359 HydrophobicContact CD2-CE 4.44Å; Y138-M359 HydrophobicContact CE2-CB 4.38Å; Y138-M359 HydrophobicContact CE2-CE 4.4Å; Y140-M359 HydrophobicContact CE1-CE 4.32Å; M359-F361 HydrophobicContact CB-CE2 4Å; M359-F361 HydrophobicContact CB-CZ 4.31Å; M359-F361 HydrophobicContact CE-CE1 3.69Å; M359-F361 HydrophobicContact CE-CE2 3.86Å; M359-F361 HydrophobicContact CE-CZ 3.15Å
360	E	86.7	Confident	82.2	Confident	131 Å²	131	86 Å²	86	61%	0.612	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-93.8	122.1	176.4	-62.8	172.4	161.3	0	0	110.8	K98 Y138	K98-E360 IonicContact NZ-OE2 2.72Å; K98-E360 PolarHBondContact NZ-OE2 2.86Å; K98-E360 VanDerWaalsContact NZ-OE2 3.16Å; Y138-E360 WeakPolarHBondContact CE2-O 3.21Å; Y138-E360 PolarHBondContact OH-N 2.96Å; Y138-E360 VanDerWaalsContact OH-N 3.12Å; Y138-E360 PolarHBondContact OH-O 3.12Å
361	F	86.2	Confident	81	Confident	115 Å²	115	90.5 Å²	90.5	50%	0.504	43%	0.434	S	S	.	.			trans	-106.9	128.6	179	-62.6	-90	0	0	0	110.9	D135 Y138 Y140 M359	D135-F361 WeakPolarHBondContact OD2-CE1 3.39Å; Y138-F361 HydrophobicContact CD2-CD1 4.32Å; Y138-F361 HydrophobicContact CD2-CE1 4.31Å; Y138-F361 HydrophobicContact CE2-CD1 4.26Å; Y138-F361 HydrophobicContact CE2-CE1 4.43Å; Y140-F361 WeakPolarHBondContact OH-CE1 3.3Å; M359-F361 HydrophobicContact CB-CE2 4Å; M359-F361 HydrophobicContact CB-CZ 4.31Å; M359-F361 HydrophobicContact CE-CE1 3.69Å; M359-F361 HydrophobicContact CE-CE2 3.86Å; M359-F361 HydrophobicContact CE-CZ 3.15Å
362	S	83.8	Confident	79.9	Confident	39 Å²	39	94.7 Å²	94.7	27%	0.273	45%	0.454	S	S	.	.			trans	-90.3	145.9	175.7	-177.9	0	0	0	0	111.2	N136 S137 Q364	N136-S362 WeakPolarHBondContact CB-O 3.44Å; N136-S362 PolarHBondContact ND2-O 2.95Å; N136-S362 VanDerWaalsContact ND2-O 3.09Å; S137-S362 WeakPolarHBondContact OG-CB 3.28Å; S137-S362 PolarHBondContact OG-N 3.16Å; S362-Q364 WeakPolarHBondContact CB-O 3.46Å; S362-Q364 PolarHBondContact O-N 3.1Å; S362-Q364 PolarHBondContact OG-N 2.81Å; S362-Q364 VanDerWaalsContact OG-N 3.12Å; S362-Q364 PolarHBondContact OG-O 3.39Å
363	L	82.1	Confident	78.5	Confident	171 Å²	171	95.4 Å²	95.4	90%	0.895	47%	0.467	S	S	*	.	S	Bend	trans	-71.6	-19.4	170	-67	172.9	0	0	0	112.5	N136	N136-L363 VanDerWaalsContact ND2-C 3.29Å; N136-L363 PolarHBondContact ND2-O 2.68Å
364	Q	80.4	Confident	77	Confident	124 Å²	124	90.2 Å²	90.2	58%	0.579	44%	0.442	S	S	*	.	S	Bend	trans	-119.1	152.9	-178.7	-64.1	-176.9	0.8	0	0	111.3	S362 T366	S362-Q364 WeakPolarHBondContact CB-O 3.46Å; S362-Q364 PolarHBondContact O-N 3.1Å; S362-Q364 PolarHBondContact OG-N 2.81Å; S362-Q364 VanDerWaalsContact OG-N 3.12Å; S362-Q364 PolarHBondContact OG-O 3.39Å; Q364-T366 PolarHBondContact O-N 2.72Å
365	D	80.2	Confident	75.4	Confident	55 Å²	55	94.1 Å²	94.1	29%	0.294	46%	0.461	S	S	.	.			trans	-66.5	108.7	177.7	-167.8	-36.1	0	0	0	110.9	K99 S367 W368	K99-D365 IonicContact NZ-OD1 3.84Å; K99-D365 PolarHBondContact NZ-OD1 3.11Å; K99-D365 IonicContact NZ-OD2 2.84Å; K99-D365 PolarHBondContact NZ-OD2 3.01Å; K99-D365 VanDerWaalsContact NZ-OD2 3.1Å; D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; D365-S367 VanDerWaalsContact OD1-CB 3.3Å; D365-S367 WeakPolarHBondContact OD1-CB 3.35Å; D365-S367 PolarHBondContact OD1-N 2.59Å; D365-S367 PolarHBondContact OD1-OG 2.9Å; D365-W368 PolarHBondContact O-N 3.45Å
366	T	79.9	Confident	73.6	Confident	0 Å²	0	90.4 Å²	90.4	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-73.5	-17.1	-174.5	63.7	0	0	0	0	113.9	E100 N136 Q364 W368 Q369 A370	E100-T366 VanDerWaalsContact CG-CB 3.42Å; E100-T366 HydrophobicContact CG-CG2 4.34Å; E100-T366 WeakPolarHBondContact OE1-CB 3.14Å; E100-T366 WeakPolarHBondContact OE1-CG2 3.39Å; N136-T366 PolarHBondContact O-N 3.15Å; N136-T366 PolarHBondContact O-OG1 3.33Å; Q364-T366 PolarHBondContact O-N 2.72Å; T366-W368 VanDerWaalsContact C-N 3.27Å; T366-W368 PolarHBondContact O-N 2.99Å; T366-Q369 PolarHBondContact O-N 3.42Å; T366-A370 WeakPolarHBondContact O-CB 3.29Å; T366-A370 PolarHBondContact O-N 3.38Å
367	S	70.3	Confident	71.5	Confident	21 Å²	21	89.5 Å²	89.5	15%	0.147	46%	0.461	C	S	.	.	H	α-helix	trans	-67.5	-31.4	176.7	69.2	0	0	0	0	112.1	D365 R371	D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; D365-S367 VanDerWaalsContact OD1-CB 3.3Å; D365-S367 WeakPolarHBondContact OD1-CB 3.35Å; D365-S367 PolarHBondContact OD1-N 2.59Å; D365-S367 PolarHBondContact OD1-OG 2.9Å; S367-R371 WeakPolarHBondContact O-CB 3.45Å; S367-R371 VanDerWaalsContact O-CG 3.28Å; S367-R371 WeakPolarHBondContact O-CG 3.4Å; S367-R371 PolarHBondContact O-N 2.79Å; S367-R371 VanDerWaalsContact O-N 3.09Å
368	W	66.9	Low	69.4	Low	162 Å²	162	86.3 Å²	86.3	61%	0.614	45%	0.448	S	S	*	.	H	α-helix	trans	-70.3	-46.7	176.1	-105.9	101.1	0	0	0	111.6	D365 T366 A370 R371 Q372	D365-W368 PolarHBondContact O-N 3.45Å; T366-W368 VanDerWaalsContact C-N 3.27Å; T366-W368 PolarHBondContact O-N 2.99Å; W368-A370 PolarHBondContact O-N 2.92Å; W368-R371 PolarHBondContact O-N 2.85Å; W368-Q372 HydrophobicContact CE3-CG 4.34Å; W368-Q372 PolarHBondContact O-N 2.99Å
369	Q	65.8	Low	67.6	Low	80 Å²	80	86.9 Å²	86.9	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-47.6	176.8	-67.5	171.7	-16.4	0	0	110.7	T366 R371 Q372 S373	T366-Q369 PolarHBondContact O-N 3.42Å; Q369-R371 VanDerWaalsContact C-N 3.33Å; Q369-R371 PolarHBondContact O-N 3.41Å; Q369-Q372 PolarHBondContact O-N 3.17Å; Q369-S373 PolarHBondContact O-N 3.02Å; Q369-S373 PolarHBondContact O-OG 3.05Å
370	A	67.4	Low	65.6	Low	19 Å²	19	88.1 Å²	88.1	16%	0.157	47%	0.465	C	S	.	.	H	α-helix	trans	-60.6	-39.3	177	0	0	0	0	0	112.9	E100 V103 T366 W368 F374	E100-A370 HydrophobicContact CB-CB 4.31Å; E100-A370 HydrophobicContact CG-CB 4.34Å; V103-A370 HydrophobicContact CB-CB 3.95Å; V103-A370 HydrophobicContact CG1-CB 3.88Å; V103-A370 HydrophobicContact CG2-CB 4.47Å; T366-A370 WeakPolarHBondContact O-CB 3.29Å; T366-A370 PolarHBondContact O-N 3.38Å; W368-A370 PolarHBondContact O-N 2.92Å; A370-F374 WeakPolarHBondContact O-CB 3.34Å; A370-F374 PolarHBondContact O-N 3.12Å
371	R	66.2	Low	63.1	Low	129 Å²	129	89.7 Å²	89.7	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-40.4	175.7	-79.7	175.4	178.8	-177.1	-0.8	112.3	V103 S367 W368 Q369 F374 H375	V103-R371 HydrophobicContact CG1-CG 3.96Å; V103-R371 HydrophobicContact CG2-CG 4.49Å; S367-R371 WeakPolarHBondContact O-CB 3.45Å; S367-R371 VanDerWaalsContact O-CG 3.28Å; S367-R371 WeakPolarHBondContact O-CG 3.4Å; S367-R371 PolarHBondContact O-N 2.79Å; S367-R371 VanDerWaalsContact O-N 3.09Å; W368-R371 PolarHBondContact O-N 2.85Å; Q369-R371 VanDerWaalsContact C-N 3.33Å; Q369-R371 PolarHBondContact O-N 3.41Å; R371-F374 PolarHBondContact O-N 2.78Å; R371-H375 WeakPolarHBondContact O-CB 3.36Å; R371-H375 PolarHBondContact O-N 3.44Å
372	Q	64.9	Low	60.7	Low	122 Å²	122	92.4 Å²	92.4	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-67	-49	178.4	-73.2	-176.9	7	0	0	111.7	W368 Q369 F374 H375 S376	W368-Q372 HydrophobicContact CE3-CG 4.34Å; W368-Q372 PolarHBondContact O-N 2.99Å; Q369-Q372 PolarHBondContact O-N 3.17Å; Q372-F374 PolarHBondContact O-N 2.95Å; Q372-H375 PolarHBondContact O-N 2.97Å; Q372-S376 PolarHBondContact O-N 3.25Å
373	S	59.5	Low	58.5	Low	85 Å²	85	93 Å²	93	59%	0.594	50%	0.499	S	S	*	.	H	α-helix	trans	-58.1	-39.3	176.1	-56.8	0	0	0	0	111.6	Q369 A377	Q369-S373 PolarHBondContact O-N 3.02Å; Q369-S373 PolarHBondContact O-OG 3.05Å; S373-A377 PolarHBondContact O-N 3.06Å; S373-A377 VanDerWaalsContact O-N 3.15Å
374	F	55.4	Low	56.2	Low	62 Å²	62	93.7 Å²	93.7	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-43.6	176.5	178.9	-102.6	0	0	0	113.3	R106 A370 R371 Q372 S376 A377 L378	R106-F374 HydrophobicContact CG-CE2 4.38Å; R106-F374 HydrophobicContact CG-CZ 4.21Å; R106-F374 VanDerWaalsContact NE-CZ 3.35Å; A370-F374 WeakPolarHBondContact O-CB 3.34Å; A370-F374 PolarHBondContact O-N 3.12Å; R371-F374 PolarHBondContact O-N 2.78Å; Q372-F374 PolarHBondContact O-N 2.95Å; F374-S376 VanDerWaalsContact C-N 3.25Å; F374-S376 PolarHBondContact O-N 3.18Å; F374-A377 PolarHBondContact O-N 3.19Å; F374-A377 VanDerWaalsContact O-N 3.08Å; F374-L378 HydrophobicContact CD1-CD1 3.88Å; F374-L378 HydrophobicContact CD1-CG 4.38Å; F374-L378 HydrophobicContact CE1-CD1 3.13Å; F374-L378 HydrophobicContact CE1-CG 3.83Å; F374-L378 HydrophobicContact CE2-CD1 4.36Å; F374-L378 HydrophobicContact CE2-CG 4.21Å; F374-L378 HydrophobicContact CZ-CD1 3.41Å; F374-L378 VanDerWaalsContact CZ-CD1 3.41Å; F374-L378 HydrophobicContact CZ-CD2 4.2Å; F374-L378 HydrophobicContact CZ-CG 3.71Å; F374-L378 PolarHBondContact O-N 2.93Å
375	H	56	Low	54	Low	127 Å²	127	95.1 Å²	95.1	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-61.5	-38.6	176.9	-164.3	67.7	0	0	0	111	R371 Q372 A377 L378 I379	R371-H375 WeakPolarHBondContact O-CB 3.36Å; R371-H375 PolarHBondContact O-N 3.44Å; Q372-H375 PolarHBondContact O-N 2.97Å; H375-A377 VanDerWaalsContact C-N 3.31Å; H375-A377 PolarHBondContact O-N 3.41Å; H375-L378 PolarHBondContact O-N 3.11Å; H375-I379 WeakPolarHBondContact O-CG1 3.21Å; H375-I379 PolarHBondContact O-N 3.08Å
376	S	48.9	Very low	51.9	Low	87 Å²	87	100.5 Å²	100.5	61%	0.608	53%	0.531	S	S	*	.	H	α-helix	trans	-63.2	-33.7	173.3	-168.2	0	0	0	0	113.3	Q372 F374	Q372-S376 PolarHBondContact O-N 3.25Å; F374-S376 VanDerWaalsContact C-N 3.25Å; F374-S376 PolarHBondContact O-N 3.18Å
377	A	45	Very low	49.8	Very low	68 Å²	68	105.5 Å²	105.5	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-76.8	-34.5	177.8	0	0	0	0	0	112.9	S373 F374 H375 I379 G380	S373-A377 PolarHBondContact O-N 3.06Å; S373-A377 VanDerWaalsContact O-N 3.15Å; F374-A377 PolarHBondContact O-N 3.19Å; F374-A377 VanDerWaalsContact O-N 3.08Å; H375-A377 VanDerWaalsContact C-N 3.31Å; H375-A377 PolarHBondContact O-N 3.41Å; A377-I379 VanDerWaalsContact C-N 3.34Å; A377-I379 PolarHBondContact O-N 3.04Å; A377-G380 PolarHBondContact O-N 3.2Å
378	L	40.1	Very low	48.5	Very low	55 Å²	55	106.3 Å²	106.3	29%	0.288	57%	0.565	S	S	.	*	H	α-helix	trans	-71	-25	178.7	-86.9	-178.3	0	0	0	114.2	F374 H375 G380 E381 A383	F374-L378 HydrophobicContact CD1-CD1 3.88Å; F374-L378 HydrophobicContact CD1-CG 4.38Å; F374-L378 HydrophobicContact CE1-CD1 3.13Å; F374-L378 HydrophobicContact CE1-CG 3.83Å; F374-L378 HydrophobicContact CE2-CD1 4.36Å; F374-L378 HydrophobicContact CE2-CG 4.21Å; F374-L378 HydrophobicContact CZ-CD1 3.41Å; F374-L378 VanDerWaalsContact CZ-CD1 3.41Å; F374-L378 HydrophobicContact CZ-CD2 4.2Å; F374-L378 HydrophobicContact CZ-CG 3.71Å; F374-L378 PolarHBondContact O-N 2.93Å; H375-L378 PolarHBondContact O-N 3.11Å; L378-G380 PolarHBondContact O-N 3.38Å; L378-G380 VanDerWaalsContact O-N 3.15Å; L378-E381 PolarHBondContact O-N 2.8Å; L378-A383 HydrophobicContact CD2-CB 3.94Å
379	I	47.2	Very low	47.1	Very low	135 Å²	135	103.5 Å²	103.5	69%	0.692	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-12.9	174.4	-66	164.7	0	0	0	110.9	H375 A377	H375-I379 WeakPolarHBondContact O-CG1 3.21Å; H375-I379 PolarHBondContact O-N 3.08Å; A377-I379 VanDerWaalsContact C-N 3.34Å; A377-I379 PolarHBondContact O-N 3.04Å
380	G	45.2	Very low	46.1	Very low	63 Å²	63	101.9 Å²	101.9	65%	0.649	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-18.6	178.5	0	0	0	0	0	117.6	A377 L378	A377-G380 PolarHBondContact O-N 3.2Å; L378-G380 PolarHBondContact O-N 3.38Å; L378-G380 VanDerWaalsContact O-N 3.15Å
381	E	34.4	Very low	45	Very low	165 Å²	165	104 Å²	104	77%	0.771	57%	0.57	S	S	*	*	S	Bend	trans	-148	142.1	-173.9	-75.1	-172.6	162.4	0	0	114.6	L378 A383	L378-E381 PolarHBondContact O-N 2.8Å; E381-A383 PolarHBondContact O-N 3.02Å
382	N	34.2	Very low	43.4	Very low	171 Å²	171	107.1 Å²	107.1	91%	0.914	59%	0.587	S	S	*	*			trans	-59.2	120.2	-179.6	-85.1	-26.2	0	0	0	112.8	E384	N382-E384 PolarHBondContact O-N 3.48Å
383	A	38.2	Very low	41.9	Very low	52 Å²	52	103.9 Å²	103.9	43%	0.43	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	8.4	-168.1	0	0	0	0	0	116.5	L378 E381	L378-A383 HydrophobicContact CD2-CB 3.94Å; E381-A383 PolarHBondContact O-N 3.02Å
384	E	34.7	Very low	40.7	Very low	185 Å²	185	105 Å²	105	86%	0.864	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-8.5	-163.4	-71.4	-165.1	153.5	0	0	117.2	N382	N382-E384 PolarHBondContact O-N 3.48Å
385	N	32.6	Very low	39.6	Very low	154 Å²	154	108.3 Å²	108.3	82%	0.824	58%	0.582	S	S	*	*			trans	-119.2	78.3	-179.3	-75.9	-30.8	0	0	0	112.2
386	F	37	Very low	38.3	Very low	168 Å²	168	111.6 Å²	111.6	74%	0.737	60%	0.595	S	S	*	*			trans	-134	118.5	173.9	-99.9	-88.7	0	0	0	114.6
387	V	36.4	Very low	37.6	Very low	105 Å²	105	110.5 Å²	110.5	64%	0.636	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-86.5	133.2	174.2	178.8	0	0	0	0	108.6	P389	V387-P389 WeakPolarHBondContact O-CD 3.27Å
388	V	42.4	Very low	37.1	Very low	38 Å²	38	110.3 Å²	110.3	23%	0.23	57%	0.571	C	S	.	*	P	Polyproline II helix	trans	-64.5	123.6	169	-179.6	0	0	0	0	107.2	T221 L390	T221-V388 HydrophobicContact CG2-CG2 4.11Å; V388-L390 PolarHBondContact O-N 3.09Å; V388-L390 VanDerWaalsContact O-N 3.13Å
389	P	38.2	Very low	36.6	Very low	104 Å²	104	112.7 Å²	112.7	68%	0.675	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-55.3	124.9	-178.2	-22.5	31	0	0	0	110	V387 L391	V387-P389 WeakPolarHBondContact O-CD 3.27Å; P389-L391 PolarHBondContact O-N 3.37Å
390	L	43.9	Very low	35.6	Very low	46 Å²	46	114.1 Å²	114.1	24%	0.241	61%	0.607	C	S	.	*	P	Polyproline II helix	trans	-54.1	129.3	167.9	-71.5	158.8	0	0	0	107.9	P226 L229 Y271 V388 K392	P226-L390 HydrophobicContact CG-CB 4.42Å; L229-L390 HydrophobicContact CD1-CD2 3.97Å; Y271-L390 WeakPolarHBondContact OH-CD1 3.34Å; V388-L390 PolarHBondContact O-N 3.09Å; V388-L390 VanDerWaalsContact O-N 3.13Å; L390-K392 PolarHBondContact O-N 3.17Å; L390-K392 VanDerWaalsContact O-N 3.15Å
391	L	44.3	Very low	34.8	Very low	64 Å²	64	119.2 Å²	119.2	34%	0.335	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-60.1	121.5	179.3	-69.4	171.5	0	0	0	108	L210 P389	L210-L391 HydrophobicContact CD1-CD1 4.16Å; P389-L391 PolarHBondContact O-N 3.37Å
392	K	33.8	Very low	34.8	Very low	193 Å²	193	116.9 Å²	116.9	84%	0.839	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.1	174.8	-69.6	-175.3	178.9	-179.3	0	108.5	L390	L390-K392 PolarHBondContact O-N 3.17Å; L390-K392 VanDerWaalsContact O-N 3.15Å
393	P	31.7	Very low	34.9	Very low	55 Å²	55	114.1 Å²	114.1	36%	0.357	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-59.8	141.1	171.5	23.2	-30.3	0	0	0	109.6	Y395	P393-Y395 PolarHBondContact O-N 3Å
394	K	35.6	Very low	34.7	Very low	109 Å²	109	117.5 Å²	117.5	47%	0.474	63%	0.632	S	S	.	*	S	Bend	trans	-67.5	-6.9	177.6	-86	-171.6	173.8	-176.4	0	113.5	T74 Y354	T74-K394 VanDerWaalsContact O-CE 3.29Å; T74-K394 WeakPolarHBondContact O-CE 3.32Å; T74-K394 PolarHBondContact O-NZ 2.99Å; Y354-K394 PolarHBondContact OH-NZ 2.94Å
395	Y	31.5	Very low	34.7	Very low	130 Å²	130	113.5 Å²	113.5	51%	0.51	62%	0.618	S	S	.	*	S	Bend	trans	-142.3	151.5	-175.9	-78.7	-81.3	0	0	0	114.7	F152 E352 P393	F152-Y395 HydrophobicContact CE1-CD2 4.36Å; E352-Y395 PolarHBondContact OE1-OH 3.13Å; P393-Y395 PolarHBondContact O-N 3Å
396	K	28.5	Very low	34.8	Very low	197 Å²	197	111 Å²	111	86%	0.857	61%	0.605	S	S	*	*			trans	-62.5	133.3	167.5	-83.3	-179.5	176.6	176.7	0	109.2
397	P	34.2	Very low	34.7	Very low	63 Å²	63	107.2 Å²	107.2	41%	0.409	60%	0.596	S	S	.	*			trans	-70.3	136.8	-175.5	29.3	-34.3	0	0	0	111	Y263 A399	Y263-P397 HydrophobicContact CD2-CB 4.48Å; Y263-P397 HydrophobicContact CE2-CB 3.33Å; Y263-P397 HydrophobicContact CE2-CG 3.91Å; Y263-P397 VanDerWaalsContact CZ-CB 3.47Å; Y263-P397 WeakPolarHBondContact OH-CB 3.38Å; Y263-P397 WeakPolarHBondContact OH-CG 3.16Å; P397-A399 PolarHBondContact O-N 3.14Å
398	Y	35.1	Very low	34.5	Very low	65 Å²	65	107.4 Å²	107.4	26%	0.255	59%	0.594	S	S	.	*			trans	28	89.5	162.9	-56.6	-87.5	0	0	0	114.7	R156 E254 G258 Q259 Y263 L400	R156-Y398 PolarHBondContact NH1-OH 2.73Å; R156-Y398 PolarHBondContact NH2-OH 3.16Å; E254-Y398 PolarHBondContact OE1-OH 3.12Å; G258-Y398 VanDerWaalsContact O-CE1 3.24Å; G258-Y398 WeakPolarHBondContact O-CE1 3.2Å; G258-Y398 PolarHBondContact O-OH 3.41Å; Q259-Y398 WeakPolarHBondContact CA-OH 3.5Å; Q259-Y398 HydrophobicContact CB-CD1 4.41Å; Q259-Y398 HydrophobicContact CB-CE1 3.69Å; Q259-Y398 HydrophobicContact CB-CE2 4.42Å; Y263-Y398 HydrophobicContact CD2-CD2 4.42Å; Y263-Y398 HydrophobicContact CD2-CE2 4.48Å; Y263-Y398 HydrophobicContact CE2-CD2 4.33Å; Y398-L400 PolarHBondContact O-N 3.2Å
399	A	28.3	Very low	33.9	Very low	105 Å²	105	112.7 Å²	112.7	87%	0.868	62%	0.622	S	S	*	*			trans	-60.1	97.9	153.9	0	0	0	0	0	106.7	P397 A401	P397-A399 PolarHBondContact O-N 3.14Å; A399-A401 PolarHBondContact O-N 3.17Å; A399-A401 VanDerWaalsContact O-N 3.11Å
400	L	26.9	Very low	33.6	Very low	165 Å²	165	113.4 Å²	113.4	86%	0.864	62%	0.617	S	S	*	*			trans	-58.3	110.6	165	-76.6	159.9	0	0	0	105.9	Y398	Y398-L400 PolarHBondContact O-N 3.2Å
401	A	28.8	Very low	32.6	Very low	169 Å²	169	119.5 Å²	119.5	100%	1.397	65%	0.651	S	S	*	*			trans	-80.7	0	158.9	0	0	0	0	0	108.4	A399	A399-A401 PolarHBondContact O-N 3.17Å; A399-A401 VanDerWaalsContact O-N 3.11Å

Retrieved 401 of 401 residues in 509.6 ms (Link to these results)

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