A0A096NRD9_PAPAN Loading...

Histone PARylation factor 1

AlphaFold DB (A0A2K6BFW2), UniProt , Accession A0A096NRD9, Species PAPAN (Papio anubis, Olive baboon), Gene HPF1, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.7	Very low	34	Very low	236 Å²	236	146.5 Å²	146.5	100%	1.163	89%	0.892	S	S	*	*				0	91.8	0	-68.1	176.6	175.4	0	0	105.9
2	V	34.9	Very low	33.5	Very low	154 Å²	154	140.9 Å²	140.9	93%	0.933	89%	0.885	S	S	*	*				46.5	117.7	93.6	-167.8	0	0	0	0	110.4
3	G	30.3	Very low	33.2	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	89%	0.891	S	S	*	*			cis	160.3	162.2	6.5	0	0	0	0	0	109.7
4	G	29.9	Very low	33	Very low	88 Å²	88	140.2 Å²	140.2	91%	0.907	88%	0.876	S	S	*	*			trans	61.5	148	161.8	0	0	0	0	0	118.3
5	G	30.3	Very low	33	Very low	82 Å²	82	139.6 Å²	139.6	85%	0.845	87%	0.874	S	S	*	*			cis	131	107.6	12	0	0	0	0	0	110.2
6	G	31.2	Very low	32.9	Very low	77 Å²	77	143.4 Å²	143.4	79%	0.794	88%	0.878	S	S	*	*			trans	98.3	134.8	143.5	0	0	0	0	0	121.6
7	K	34.3	Very low	32.7	Very low	200 Å²	200	141.6 Å²	141.6	87%	0.87	87%	0.871	S	S	*	*			trans	89.7	111.1	138.9	-73.9	180	175.8	175.7	0	122.4
8	R	33.3	Very low	32.7	Very low	244 Å²	244	144 Å²	144	92%	0.921	87%	0.871	S	S	*	*				46.8	129.1	122.9	-67	-176.3	177.9	176.2	-1.2	122.1
9	R	39.7	Very low	32.5	Very low	244 Å²	244	146.4 Å²	146.4	92%	0.921	87%	0.869	S	S	*	*			trans	-34.4	157.4	159.8	-69.7	-176.5	-179.2	-175.6	-0.1	116.5
10	P	42.3	Very low	32.4	Very low	132 Å²	132	145.3 Å²	145.3	86%	0.857	86%	0.863	S	S	*	*				-155.3	168.5	66.6	40.1	-18.3	0	0	0	119.7
11	G	27.3	Very low	32.4	Very low	86 Å²	86	144.6 Å²	144.6	89%	0.887	86%	0.86	S	S	*	*			trans	95.7	130.4	141.8	0	0	0	0	0	119.5
12	G	27.7	Very low	32	Very low	79 Å²	79	140.3 Å²	140.3	81%	0.814	84%	0.842	S	S	*	*			trans	155.5	99.1	161.8	0	0	0	0	0	115.1
13	E	29.5	Very low	32	Very low	206 Å²	206	141.3 Å²	141.3	96%	0.963	84%	0.836	S	S	*	*			trans	-49.8	158	174.9	-62.3	152.1	166.3	0	0	114.3
14	G	30.2	Very low	32.2	Very low	66 Å²	66	147.8 Å²	147.8	68%	0.68	85%	0.845	S	S	*	*			cis	-172.2	-178.1	14.7	0	0	0	0	0	112.4
15	P	34.2	Very low	32.6	Very low	131 Å²	131	153 Å²	153	85%	0.851	84%	0.842	S	S	*	*			trans	-87.2	129.4	-176.5	31.9	-27.9	0	0	0	111.4	C17	P15-C17 PolarHBondContact O-N 3.28Å
16	Q	31.4	Very low	33.1	Very low	200 Å²	200	152 Å²	152	94%	0.935	82%	0.822	S	S	*	*			trans	-77.6	104.8	172.5	-147	167.2	1.1	0	0	108.2	E18	Q16-E18 PolarHBondContact O-N 3.1Å
17	C	28.3	Very low	33.8	Very low	113 Å²	113	157.3 Å²	157.3	76%	0.764	82%	0.824	S	S	*	*			trans	-71.1	103.5	177.9	-159.9	0	0	0	0	109.2	P15 K19	P15-C17 PolarHBondContact O-N 3.28Å; C17-K19 PolarHBondContact O-N 3.29Å
18	E	32.9	Very low	34.7	Very low	185 Å²	185	154.2 Å²	154.2	86%	0.864	81%	0.811	S	S	*	*			trans	-68.4	110.1	160.7	-82.8	-177.1	160	0	0	107.8	Q16 T20	Q16-E18 PolarHBondContact O-N 3.1Å; E18-T20 PolarHBondContact O-N 2.89Å; E18-T20 VanDerWaalsContact O-N 3.09Å
19	K	30	Very low	36.9	Very low	190 Å²	190	146 Å²	146	83%	0.826	79%	0.79	S	S	*	*			trans	-67.6	103.6	172.3	-70.2	179.3	177.2	179.3	0	108	C17 V21	C17-K19 PolarHBondContact O-N 3.29Å; K19-V21 PolarHBondContact O-N 3.38Å; K19-V21 VanDerWaalsContact O-N 3.13Å
20	T	30.8	Very low	39.1	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	78%	0.776	S	S	*	*			trans	-59.1	111.9	156.1	42.6	0	0	0	0	107.4	E18 D22	E18-T20 PolarHBondContact O-N 2.89Å; E18-T20 VanDerWaalsContact O-N 3.09Å; T20-D22 PolarHBondContact O-N 3.38Å; T20-D22 VanDerWaalsContact O-N 3.11Å
21	V	32.1	Very low	41.3	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	74%	0.738	S	S	*	*			trans	-66.8	107.3	168.2	179.4	0	0	0	0	105.8	K19 E23	K19-V21 PolarHBondContact O-N 3.38Å; K19-V21 VanDerWaalsContact O-N 3.13Å; V21-E23 VanDerWaalsContact C-N 3.33Å; V21-E23 PolarHBondContact O-N 3.08Å
22	D	30.8	Very low	44.3	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	73%	0.732	S	S	*	*			trans	-58.8	98.5	167	-85.6	-48.4	0	0	0	108.2	T20 K24	T20-D22 PolarHBondContact O-N 3.38Å; T20-D22 VanDerWaalsContact O-N 3.11Å; D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 3.46Å
23	E	35.4	Very low	47.3	Very low	175 Å²	175	134.4 Å²	134.4	82%	0.818	70%	0.697	S	S	*	*			trans	-59.1	101.5	158.1	-76	-176.2	158.6	0	0	106.8	V21 K25	V21-E23 VanDerWaalsContact C-N 3.33Å; V21-E23 PolarHBondContact O-N 3.08Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 2.83Å
24	K	35.8	Very low	50.2	Low	205 Å²	205	127.5 Å²	127.5	89%	0.891	67%	0.671	S	S	*	*			trans	-55.1	98.7	164.6	-80.7	-178	175.8	179.4	0	107.1	D22 S26	D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 3.46Å; K24-S26 VanDerWaalsContact C-N 3.31Å; K24-S26 PolarHBondContact O-N 3.45Å
25	K	36.4	Very low	53	Low	198 Å²	198	127.5 Å²	127.5	86%	0.861	66%	0.661	S	S	*	*			trans	-54.1	102.6	160.5	-76.4	-177.1	176.6	179.3	0	106.3	E23 K27	E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 2.83Å; K25-K27 PolarHBondContact O-N 3.11Å; K25-K27 VanDerWaalsContact O-N 3.1Å
26	S	42.3	Very low	55.7	Low	61 Å²	61	126.6 Å²	126.6	43%	0.427	65%	0.649	S	S	.	*			trans	-50.2	120.1	166.7	168.2	0	0	0	0	106.5	K24 F28	K24-S26 VanDerWaalsContact C-N 3.31Å; K24-S26 PolarHBondContact O-N 3.45Å; S26-F28 PolarHBondContact O-N 3.18Å
27	K	45.9	Very low	58.6	Low	188 Å²	188	119.4 Å²	119.4	82%	0.817	62%	0.616	S	S	*	*			trans	-64.2	107.9	171	-96.1	179.3	170.5	-179	0	105.3	K25 C29	K25-K27 PolarHBondContact O-N 3.11Å; K25-K27 VanDerWaalsContact O-N 3.1Å; K27-C29 PolarHBondContact O-N 2.69Å
28	F	53.3	Low	61.8	Low	136 Å²	136	115 Å²	115	60%	0.596	58%	0.584	S	S	*	*			trans	-59.8	94.7	158.5	-113.8	-96.2	0	0	0	106.2	S26 Y201	S26-F28 PolarHBondContact O-N 3.18Å; F28-Y201 AromaticContact CE1-CE1 3.93Å; F28-Y201 HydrophobicContact CE1-CE1 3.93Å; F28-Y201 HydrophobicContact CZ-CD1 4.31Å; F28-Y201 AromaticContact CZ-CE1 3.73Å; F28-Y201 HydrophobicContact CZ-CE1 3.73Å
29	C	78.7	Confident	64.7	Low	71 Å²	71	111.5 Å²	111.5	48%	0.48	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-86.2	143.2	171.1	52	0	0	0	0	108.5	K27 H55	K27-C29 PolarHBondContact O-N 2.69Å; C29-H55 PolarHBondContact O-CE1 3.16Å; C29-H55 PolarHBondContact O-NE2 2.71Å; C29-H55 VanDerWaalsContact O-NE2 3.16Å
30	E	86.6	Confident	67.8	Low	135 Å²	135	104.7 Å²	104.7	63%	0.631	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-69	139.3	171.3	-174	171.9	-174.6	0	0	108.9	R38 E51	E30-R38 VanDerWaalsContact CG-CZ 3.44Å; E30-R38 VanDerWaalsContact CG-NH1 3.29Å; E30-R38 IonicContact OE1-CZ 3.63Å; E30-R38 IonicContact OE1-NE 3.55Å; E30-R38 IonicContact OE1-NH1 3.59Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 3.63Å; E30-E51 WeakPolarHBondContact CA-OE2 3.45Å
31	A	87.4	Confident	70.8	Confident	7 Å²	7	98.8 Å²	98.8	6%	0.058	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-64.5	144.5	179.1	0	0	0	0	0	111	V33 R38 E51 Y54 H55	A31-V33 PolarHBondContact O-N 3.43Å; A31-R38 PolarHBondContact O-NH2 3.41Å; A31-E51 PolarHBondContact N-OE2 3.2Å; A31-Y54 VanDerWaalsContact CB-CB 3.45Å; A31-H55 WeakPolarHBondContact CA-NE2 3.48Å; A31-H55 WeakPolarHBondContact CB-CD2 3.33Å; A31-H55 PolarHBondContact N-NE2 3.19Å
32	D	90.6	Very high	73.6	Confident	143 Å²	143	95.6 Å²	95.6	77%	0.765	48%	0.477	S	S	*	.	S	Bend	trans	-74.4	57.9	-179.4	-171.8	23.2	0	0	0	113.2	K58	D32-K58 WeakPolarHBondContact O-CE 3.5Å; D32-K58 PolarHBondContact O-NZ 2.92Å; D32-K58 VanDerWaalsContact O-NZ 3.16Å
33	V	90.2	Very high	76.6	Confident	13 Å²	13	94.6 Å²	94.6	8%	0.079	47%	0.472	C	S	.	.			trans	-114.2	127.5	174.3	177.6	0	0	0	0	107.5	A31 S35 L37 R38 Y54 L87	A31-V33 PolarHBondContact O-N 3.43Å; V33-S35 PolarHBondContact O-N 3.14Å; V33-L37 HydrophobicContact CG1-CB 4.2Å; V33-R38 HydrophobicContact CG1-CG 4.17Å; V33-R38 PolarHBondContact O-NE 3.25Å; V33-R38 VanDerWaalsContact O-NE 3.15Å; V33-Y54 HydrophobicContact CB-CD1 4.22Å; V33-Y54 HydrophobicContact CG1-CD1 4.13Å; V33-Y54 HydrophobicContact CG2-CD1 4.21Å; V33-L87 HydrophobicContact CG1-CD2 3.88Å
34	S	91.1	Very high	79.4	Confident	60 Å²	60	89.7 Å²	89.7	42%	0.42	45%	0.449	S	S	.	.			trans	-52.6	138.4	-176	69.5	0	0	0	0	111.9	D36 L37 R38	S34-D36 PolarHBondContact O-N 3.46Å; S34-D36 VanDerWaalsContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 3.27Å; S34-L37 VanDerWaalsContact O-N 3.08Å; S34-L37 WeakPolarHBondContact OG-CB 3.33Å; S34-L37 WeakPolarHBondContact OG-CD1 3.39Å; S34-L37 WeakPolarHBondContact OG-CG 3.45Å; S34-L37 PolarHBondContact OG-N 3.44Å; S34-R38 PolarHBondContact O-N 3.32Å
35	S	89.5	Confident	82.3	Confident	66 Å²	66	80.4 Å²	80.4	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-27.6	179.8	73.2	0	0	0	0	113.6	V33 R38 K39	V33-S35 PolarHBondContact O-N 3.14Å; S35-R38 PolarHBondContact O-N 2.9Å; S35-K39 WeakPolarHBondContact O-CB 2.76Å; S35-K39 VanDerWaalsContact O-CG 3.28Å; S35-K39 WeakPolarHBondContact O-CG 3.48Å; S35-K39 PolarHBondContact O-N 2.66Å
36	D	91.2	Very high	85.2	Confident	113 Å²	113	76.5 Å²	76.5	60%	0.604	39%	0.391	S	S	*	.	H	α-helix	trans	-69.7	-41.3	177.7	-65.4	-26.9	0	0	0	111.9	S34 K39 E40	S34-D36 PolarHBondContact O-N 3.46Å; S34-D36 VanDerWaalsContact O-N 3.11Å; D36-K39 PolarHBondContact O-N 2.97Å; D36-E40 WeakPolarHBondContact O-CB 3.46Å; D36-E40 PolarHBondContact O-N 3.25Å
37	L	92.1	Very high	87.8	Confident	48 Å²	48	74 Å²	74	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174	-75.2	173.7	0	0	0	112	V33 S34 E40 I41 L87	V33-L37 HydrophobicContact CG1-CB 4.2Å; S34-L37 PolarHBondContact O-N 3.27Å; S34-L37 VanDerWaalsContact O-N 3.08Å; S34-L37 WeakPolarHBondContact OG-CB 3.33Å; S34-L37 WeakPolarHBondContact OG-CD1 3.39Å; S34-L37 WeakPolarHBondContact OG-CG 3.45Å; S34-L37 PolarHBondContact OG-N 3.44Å; L37-E40 WeakPolarHBondContact CD2-OE2 3.26Å; L37-E40 WeakPolarHBondContact O-CB 2.96Å; L37-E40 PolarHBondContact O-N 2.97Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.85Å; L37-L87 HydrophobicContact CB-CD2 4.38Å
38	R	95	Very high	90.2	Very high	20 Å²	20	67.9 Å²	67.9	8%	0.075	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-51.8	174.7	-64.8	176.6	171.6	-120.8	-13.1	110.3	E30 A31 V33 S34 S35 E40 I41 E42 E51 Y54	E30-R38 VanDerWaalsContact CG-CZ 3.44Å; E30-R38 VanDerWaalsContact CG-NH1 3.29Å; E30-R38 IonicContact OE1-CZ 3.63Å; E30-R38 IonicContact OE1-NE 3.55Å; E30-R38 IonicContact OE1-NH1 3.59Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 3.63Å; A31-R38 PolarHBondContact O-NH2 3.41Å; V33-R38 HydrophobicContact CG1-CG 4.17Å; V33-R38 PolarHBondContact O-NE 3.25Å; V33-R38 VanDerWaalsContact O-NE 3.15Å; S34-R38 PolarHBondContact O-N 3.32Å; S35-R38 PolarHBondContact O-N 2.9Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.03Å; R38-I41 PolarHBondContact O-N 2.74Å; R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.29Å; R38-E51 IonicContact CZ-OE1 2.74Å; R38-E51 IonicContact CZ-OE2 3.08Å; R38-E51 IonicContact NH1-OE1 2.91Å; R38-E51 PolarHBondContact NH1-OE1 3.49Å; R38-E51 IonicContact NH1-OE2 3.21Å; R38-E51 PolarHBondContact NH1-OE2 3.32Å; R38-E51 IonicContact NH2-OE1 2.77Å; R38-E51 IonicContact NH2-OE2 2.84Å; R38-E51 PolarHBondContact NH2-OE2 3.31Å; R38-Y54 HydrophobicContact CB-CE1 4.41Å; R38-Y54 HydrophobicContact CG-CD1 4.32Å; R38-Y54 HydrophobicContact CG-CE1 3.77Å; R38-Y54 HydrophobicContact CG-CE2 4.36Å
39	K	94	Very high	92.4	Very high	113 Å²	113	61.8 Å²	61.8	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-38.5	175.4	-70.9	169.7	-173.2	167.1	0	112.5	S35 D36 I41 E42 N43	S35-K39 WeakPolarHBondContact O-CB 2.76Å; S35-K39 VanDerWaalsContact O-CG 3.28Å; S35-K39 WeakPolarHBondContact O-CG 3.48Å; S35-K39 PolarHBondContact O-N 2.66Å; D36-K39 PolarHBondContact O-N 2.97Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 3.19Å; K39-E42 PolarHBondContact O-N 2.95Å; K39-N43 VanDerWaalsContact O-CB 3.25Å; K39-N43 WeakPolarHBondContact O-CB 3.28Å; K39-N43 PolarHBondContact O-N 3.24Å; K39-N43 PolarHBondContact O-ND2 3.45Å; K39-N43 VanDerWaalsContact O-ND2 3.12Å
40	E	93.9	Very high	93.3	Very high	47 Å²	47	59 Å²	59	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-45.9	176.7	-174.3	172	-168.7	0	0	110.4	D36 L37 R38 N43 H44 I86 H91 K92	D36-E40 WeakPolarHBondContact O-CB 3.46Å; D36-E40 PolarHBondContact O-N 3.25Å; L37-E40 WeakPolarHBondContact CD2-OE2 3.26Å; L37-E40 WeakPolarHBondContact O-CB 2.96Å; L37-E40 PolarHBondContact O-N 2.97Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.03Å; E40-N43 PolarHBondContact O-N 3.41Å; E40-H44 PolarHBondContact O-N 3.02Å; E40-H44 VanDerWaalsContact O-N 3.16Å; E40-H44 PolarHBondContact O-ND1 3.22Å; E40-H44 IonicContact OE1-CE1 3.76Å; E40-I86 HydrophobicContact CG-CG2 4.12Å; E40-H91 IonicContact OE1-CD2 3.13Å; E40-H91 IonicContact OE1-CE1 3.6Å; E40-H91 IonicContact OE1-NE2 3Å; E40-H91 PolarHBondContact OE1-NE2 3.12Å; E40-K92 WeakPolarHBondContact OE1-CE 3.49Å; E40-K92 IonicContact OE1-NZ 3.83Å; E40-K92 IonicContact OE2-NZ 3.28Å; E40-K92 PolarHBondContact OE2-NZ 3.12Å
41	I	93.8	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-48.5	178.2	-60.7	158.7	0	0	0	111.3	L37 R38 K39 N43 H44 Y45 L49 F53 Y54 P83 I86 L87	L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.85Å; R38-I41 PolarHBondContact O-N 2.74Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 3.19Å; I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.4Å; I41-H44 PolarHBondContact O-N 3.06Å; I41-Y45 HydrophobicContact CG2-CD2 4.19Å; I41-Y45 PolarHBondContact O-N 3.49Å; I41-L49 HydrophobicContact CB-CD1 4.37Å; I41-L49 HydrophobicContact CG2-CD1 3.28Å; I41-F53 HydrophobicContact CD1-CE1 4.06Å; I41-Y54 HydrophobicContact CD1-CE1 3.96Å; I41-P83 HydrophobicContact CG2-CB 3.74Å; I41-I86 HydrophobicContact CB-CD1 4.45Å; I41-I86 HydrophobicContact CG1-CB 3.86Å; I41-I86 HydrophobicContact CG1-CD1 4.27Å; I41-I86 HydrophobicContact CG1-CG2 3.51Å; I41-I86 HydrophobicContact CG2-CD1 4.37Å; I41-L87 HydrophobicContact CD1-CD1 4.35Å; I41-L87 HydrophobicContact CD1-CD2 3.61Å; I41-L87 HydrophobicContact CD1-CG 3.69Å
42	E	92.2	Very high	94.3	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-35.9	179.8	-67.6	-172.4	154.4	0	0	112	R38 K39 K46 S48	R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.29Å; K39-E42 PolarHBondContact O-N 2.95Å; E42-K46 WeakPolarHBondContact O-CA 3.44Å; E42-K46 PolarHBondContact O-N 3.35Å; E42-S48 WeakPolarHBondContact OE1-CA 3.41Å; E42-S48 WeakPolarHBondContact OE1-CB 3.42Å; E42-S48 PolarHBondContact OE1-OG 3.47Å
43	N	93.5	Very high	94.7	Very high	125 Å²	125	48.4 Å²	48.4	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-69.4	-36.8	176.6	-72.5	-25	0	0	0	112.6	K39 E40 I41	K39-N43 VanDerWaalsContact O-CB 3.25Å; K39-N43 WeakPolarHBondContact O-CB 3.28Å; K39-N43 PolarHBondContact O-N 3.24Å; K39-N43 PolarHBondContact O-ND2 3.45Å; K39-N43 VanDerWaalsContact O-ND2 3.12Å; E40-N43 PolarHBondContact O-N 3.41Å; I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.4Å
44	H	93.9	Very high	95.1	Very high	71 Å²	71	47.9 Å²	47.9	33%	0.329	25%	0.25	S	S	.	.	H	α-helix	trans	-74.7	-40.7	179.2	-75.6	100.2	0	0	0	112.5	E40 I41 I86 F102	E40-H44 PolarHBondContact O-N 3.02Å; E40-H44 VanDerWaalsContact O-N 3.16Å; E40-H44 PolarHBondContact O-ND1 3.22Å; E40-H44 IonicContact OE1-CE1 3.76Å; I41-H44 PolarHBondContact O-N 3.06Å; H44-I86 HydrophobicContact CB-CD1 3.81Å; H44-F102 HydrophobicContact CB-CD2 3.79Å; H44-F102 HydrophobicContact CB-CE2 3.95Å; H44-F102 HydrophobicContact CB-CG 4.15Å; H44-F102 HydrophobicContact CB-CZ 4.42Å; H44-F102 AromaticContact CD2-CD2 3.65Å; H44-F102 AromaticContact CD2-CE2 3.15Å; H44-F102 WeakPolarHBondContact CD2-CE2 3.32Å; H44-F102 AromaticContact CD2-CZ 3.92Å; H44-F102 AromaticContact CG-CE2 3.73Å; H44-F102 AromaticContact NE2-CE2 3.99Å
45	Y	95.9	Very high	95.5	Very high	11 Å²	11	45.9 Å²	45.9	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-93.9	-13.3	-178.6	-83.5	-81.6	0	0	0	114.3	I41 L47 G82 P83 I86 F102 H105	I41-Y45 HydrophobicContact CG2-CD2 4.19Å; I41-Y45 PolarHBondContact O-N 3.49Å; Y45-L47 PolarHBondContact O-N 3.15Å; Y45-G82 VanDerWaalsContact OH-CA 3.28Å; Y45-G82 WeakPolarHBondContact OH-CA 3.37Å; Y45-P83 HydrophobicContact CD2-CB 4.23Å; Y45-P83 HydrophobicContact CE2-CB 3.94Å; Y45-I86 HydrophobicContact CD2-CD1 3.98Å; Y45-I86 HydrophobicContact CE2-CD1 3.81Å; Y45-F102 HydrophobicContact CD1-CB 4.33Å; Y45-F102 HydrophobicContact CD2-CD1 4.46Å; Y45-F102 HydrophobicContact CE1-CB 4.16Å; Y45-F102 WeakPolarHBondContact CE1-O 3.26Å; Y45-F102 HydrophobicContact CE2-CB 4.42Å; Y45-F102 AromaticContact CE2-CD1 3.73Å; Y45-F102 HydrophobicContact CE2-CD1 3.73Å; Y45-F102 HydrophobicContact CE2-CE1 4.39Å; Y45-F102 HydrophobicContact CE2-CG 4.37Å; Y45-F102 AromaticContact CZ-CD1 3.81Å; Y45-H105 PolarHBondContact OH-CD2 2.83Å
46	K	97.6	Very high	95.9	Very high	115 Å²	115	42.7 Å²	42.7	50%	0.5	21%	0.212	S	C	.	.	S	Bend	trans	55.1	26.9	-173.3	-52.9	172	-176.4	-179.7	0	113.2	E42 L324 E327	E42-K46 WeakPolarHBondContact O-CA 3.44Å; E42-K46 PolarHBondContact O-N 3.35Å; K46-L324 HydrophobicContact CB-CD1 4.02Å; K46-L324 HydrophobicContact CB-CD2 3.76Å; K46-L324 HydrophobicContact CD-CD1 3.73Å; K46-L324 HydrophobicContact CG-CD1 4.49Å; K46-L324 VanDerWaalsContact O-CD2 3.26Å; K46-L324 WeakPolarHBondContact O-CD2 3.31Å; K46-E327 IonicContact NZ-OE1 3.53Å; K46-E327 IonicContact NZ-OE2 2.74Å; K46-E327 PolarHBondContact NZ-OE2 2.76Å
47	L	97.6	Very high	96.3	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	-135.8	134.4	-176.5	-71.4	171.5	0	0	0	110	Y45 P136 L324	Y45-L47 PolarHBondContact O-N 3.15Å; L47-P136 HydrophobicContact CD2-CB 3.74Å; L47-P136 WeakPolarHBondContact CD2-O 3.02Å; L47-L324 HydrophobicContact CD2-CD2 3.63Å; L47-L324 HydrophobicContact CG-CD2 3.73Å
48	S	97.1	Very high	96.6	Very high	59 Å²	59	38.4 Å²	38.4	41%	0.413	19%	0.185	S	C	.	.			trans	-72.5	140.7	169.6	-66.8	0	0	0	0	111.7	E42 R133	E42-S48 WeakPolarHBondContact OE1-CA 3.41Å; E42-S48 WeakPolarHBondContact OE1-CB 3.42Å; E42-S48 PolarHBondContact OE1-OG 3.47Å; S48-R133 PolarHBondContact O-NE 2.72Å; S48-R133 PolarHBondContact O-NH2 3.03Å
49	L	97.8	Very high	96.7	Very high	8 Å²	8	38 Å²	38	4%	0.042	18%	0.184	C	C	.	.			trans	-107.3	143	178.1	-74.7	163	0	0	0	110.7	I41 F53 Y54 P83 Y131	I41-L49 HydrophobicContact CB-CD1 4.37Å; I41-L49 HydrophobicContact CG2-CD1 3.28Å; L49-F53 HydrophobicContact CB-CB 4.44Å; L49-F53 HydrophobicContact CB-CD1 4.06Å; L49-F53 HydrophobicContact CB-CG 4.31Å; L49-F53 HydrophobicContact CD1-CD1 3.83Å; L49-F53 HydrophobicContact CD1-CE1 3.65Å; L49-F53 HydrophobicContact CD1-CE2 4.37Å; L49-F53 HydrophobicContact CD1-CG 4.28Å; L49-F53 HydrophobicContact CD1-CZ 3.95Å; L49-F53 HydrophobicContact CD2-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CG 4.31Å; L49-F53 HydrophobicContact CG-CD1 4.4Å; L49-Y54 HydrophobicContact CB-CE2 4.13Å; L49-P83 HydrophobicContact CD1-CB 3.72Å; L49-P83 HydrophobicContact CD1-CG 4.29Å; L49-P83 HydrophobicContact CD2-CG 4.36Å; L49-Y131 HydrophobicContact CD2-CD2 4.07Å; L49-Y131 HydrophobicContact CD2-CE2 4.18Å
50	P	97.9	Very high	96.9	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.084	16%	0.161	C	C	.	.			trans	-76.8	159.5	-178.3	35.3	-37.9	0	0	0	111.6	D52 F53 Y131 L139 P140	P50-D52 WeakPolarHBondContact CB-OD1 3.25Å; P50-D52 WeakPolarHBondContact CG-OD1 3.5Å; P50-D52 PolarHBondContact O-N 3.16Å; P50-F53 HydrophobicContact CG-CB 4.49Å; P50-F53 VanDerWaalsContact O-CB 3.25Å; P50-F53 WeakPolarHBondContact O-CB 3.28Å; P50-F53 PolarHBondContact O-N 3.18Å; P50-F53 VanDerWaalsContact O-N 3.09Å; P50-Y131 HydrophobicContact CG-CD1 4.47Å; P50-Y131 HydrophobicContact CG-CE1 3.84Å; P50-Y131 HydrophobicContact CG-CE2 4.1Å; P50-L139 HydrophobicContact CB-CD2 4.35Å; P50-P140 HydrophobicContact CG-CG 4.08Å
51	E	98	Very high	97.1	Very high	50 Å²	50	33.1 Å²	33.1	23%	0.234	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-27.9	-178.4	-73.3	-56.7	128	0	0	114	E30 A31 R38 F53 Y54 H55	E30-E51 WeakPolarHBondContact CA-OE2 3.45Å; A31-E51 PolarHBondContact N-OE2 3.2Å; R38-E51 IonicContact CZ-OE1 2.74Å; R38-E51 IonicContact CZ-OE2 3.08Å; R38-E51 IonicContact NH1-OE1 2.91Å; R38-E51 PolarHBondContact NH1-OE1 3.49Å; R38-E51 IonicContact NH1-OE2 3.21Å; R38-E51 PolarHBondContact NH1-OE2 3.32Å; R38-E51 IonicContact NH2-OE1 2.77Å; R38-E51 IonicContact NH2-OE2 2.84Å; R38-E51 PolarHBondContact NH2-OE2 3.31Å; E51-F53 PolarHBondContact O-N 3.03Å; E51-Y54 PolarHBondContact O-N 3.15Å; E51-H55 PolarHBondContact O-N 2.85Å; E51-H55 PolarHBondContact O-ND1 3.12Å; E51-H55 VanDerWaalsContact O-ND1 3.09Å
52	D	98.6	Very high	97.2	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-28.3	178.3	62.7	-67.6	0	0	0	112	P50 F56 Y131 N160 V161 F162 Y201	P50-D52 WeakPolarHBondContact CB-OD1 3.25Å; P50-D52 WeakPolarHBondContact CG-OD1 3.5Å; P50-D52 PolarHBondContact O-N 3.16Å; D52-F56 WeakPolarHBondContact O-CB 3.38Å; D52-F56 PolarHBondContact O-N 2.92Å; D52-Y131 PolarHBondContact OD2-OH 2.87Å; D52-N160 HydrophobicContact CB-CB 3.86Å; D52-N160 WeakPolarHBondContact OD2-CA 3.15Å; D52-N160 WeakPolarHBondContact OD2-CB 3.32Å; D52-V161 HydrophobicContact CB-CG1 4.37Å; D52-V161 WeakPolarHBondContact O-CG1 3.28Å; D52-V161 PolarHBondContact OD2-N 3.35Å; D52-F162 HydrophobicContact CB-CD2 4.45Å; D52-Y201 WeakPolarHBondContact CA-OH 3.38Å; D52-Y201 HydrophobicContact CB-CD1 4.43Å; D52-Y201 HydrophobicContact CB-CD2 4.43Å; D52-Y201 HydrophobicContact CB-CE1 3.87Å; D52-Y201 HydrophobicContact CB-CE2 3.85Å; D52-Y201 PolarHBondContact N-OH 2.7Å; D52-Y201 VanDerWaalsContact N-OH 3.1Å
53	F	98.7	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-51.1	172.7	170.4	-97.9	0	0	0	111.2	I41 L49 P50 E51 F56 W57 P83 Y84 L87 Y131	I41-F53 HydrophobicContact CD1-CE1 4.06Å; L49-F53 HydrophobicContact CB-CB 4.44Å; L49-F53 HydrophobicContact CB-CD1 4.06Å; L49-F53 HydrophobicContact CB-CG 4.31Å; L49-F53 HydrophobicContact CD1-CD1 3.83Å; L49-F53 HydrophobicContact CD1-CE1 3.65Å; L49-F53 HydrophobicContact CD1-CE2 4.37Å; L49-F53 HydrophobicContact CD1-CG 4.28Å; L49-F53 HydrophobicContact CD1-CZ 3.95Å; L49-F53 HydrophobicContact CD2-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CG 4.31Å; L49-F53 HydrophobicContact CG-CD1 4.4Å; P50-F53 HydrophobicContact CG-CB 4.49Å; P50-F53 VanDerWaalsContact O-CB 3.25Å; P50-F53 WeakPolarHBondContact O-CB 3.28Å; P50-F53 PolarHBondContact O-N 3.18Å; P50-F53 VanDerWaalsContact O-N 3.09Å; E51-F53 PolarHBondContact O-N 3.03Å; F53-F56 PolarHBondContact O-N 3.43Å; F53-W57 PolarHBondContact O-N 3.21Å; F53-W57 VanDerWaalsContact O-N 3.07Å; F53-P83 HydrophobicContact CE2-CB 3.9Å; F53-P83 HydrophobicContact CE2-CG 3.69Å; F53-P83 HydrophobicContact CZ-CB 3.73Å; F53-P83 HydrophobicContact CZ-CG 4.07Å; F53-Y84 HydrophobicContact CD2-CD1 4.15Å; F53-Y84 HydrophobicContact CD2-CD2 4.34Å; F53-Y84 AromaticContact CD2-CE1 3.5Å; F53-Y84 HydrophobicContact CD2-CE1 3.5Å; F53-Y84 AromaticContact CD2-CE2 3.78Å; F53-Y84 HydrophobicContact CD2-CE2 3.78Å; F53-Y84 AromaticContact CD2-CZ 3.29Å; F53-Y84 WeakPolarHBondContact CD2-OH 3.42Å; F53-Y84 HydrophobicContact CE1-CE1 4.39Å; F53-Y84 AromaticContact CE2-CD1 3.38Å; F53-Y84 HydrophobicContact CE2-CD1 3.38Å; F53-Y84 AromaticContact CE2-CD2 3.67Å; F53-Y84 HydrophobicContact CE2-CD2 3.67Å; F53-Y84 AromaticContact CE2-CE1 3.23Å; F53-Y84 HydrophobicContact CE2-CE1 3.23Å; F53-Y84 AromaticContact CE2-CE2 3.58Å; F53-Y84 HydrophobicContact CE2-CE2 3.58Å; F53-Y84 AromaticContact CE2-CG 3.59Å; F53-Y84 HydrophobicContact CE2-CG 3.59Å; F53-Y84 AromaticContact CE2-CZ 3.34Å; F53-Y84 HydrophobicContact CG-CE1 4.19Å; F53-Y84 AromaticContact CZ-CD1 3.59Å; F53-Y84 HydrophobicContact CZ-CD1 3.59Å; F53-Y84 AromaticContact CZ-CE1 3.72Å; F53-Y84 HydrophobicContact CZ-CE1 3.72Å; F53-Y84 HydrophobicContact CZ-CG 4.02Å; F53-Y84 WeakPolarHBondContact O-CE1 3.47Å; F53-Y84 PolarHBondContact O-OH 2.89Å; F53-L87 HydrophobicContact CD1-CD1 4.5Å; F53-L87 HydrophobicContact CE1-CD1 3.53Å; F53-L87 HydrophobicContact CE1-CG 4.35Å; F53-L87 HydrophobicContact CZ-CD1 3.67Å; F53-L87 HydrophobicContact CZ-CG 4.4Å; F53-Y131 WeakPolarHBondContact CA-OH 3.38Å; F53-Y131 HydrophobicContact CB-CE2 4.02Å; F53-Y131 HydrophobicContact CD2-CE2 4.11Å; F53-Y131 HydrophobicContact CG-CE2 4.46Å; F53-Y131 PolarHBondContact N-OH 3.39Å
54	Y	98.4	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-72.6	-38.6	-177.5	-58.7	-69.3	0	0	0	112.3	A31 V33 R38 I41 L49 E51 F56 W57 K58 L87	A31-Y54 VanDerWaalsContact CB-CB 3.45Å; V33-Y54 HydrophobicContact CB-CD1 4.22Å; V33-Y54 HydrophobicContact CG1-CD1 4.13Å; V33-Y54 HydrophobicContact CG2-CD1 4.21Å; R38-Y54 HydrophobicContact CB-CE1 4.41Å; R38-Y54 HydrophobicContact CG-CD1 4.32Å; R38-Y54 HydrophobicContact CG-CE1 3.77Å; R38-Y54 HydrophobicContact CG-CE2 4.36Å; I41-Y54 HydrophobicContact CD1-CE1 3.96Å; L49-Y54 HydrophobicContact CB-CE2 4.13Å; E51-Y54 PolarHBondContact O-N 3.15Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 3.39Å; Y54-W57 WeakPolarHBondContact O-CB 3.41Å; Y54-W57 PolarHBondContact O-N 3.02Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 VanDerWaalsContact O-N 3.15Å; Y54-L87 HydrophobicContact CD1-CD1 4.45Å
55	H	98.6	Very high	97.6	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-38.4	172.9	-71.7	129.6	0	0	0	112.2	C29 A31 E51 W57 K58 F59 F162 L199 Y201	C29-H55 PolarHBondContact O-CE1 3.16Å; C29-H55 PolarHBondContact O-NE2 2.71Å; C29-H55 VanDerWaalsContact O-NE2 3.16Å; A31-H55 WeakPolarHBondContact CA-NE2 3.48Å; A31-H55 WeakPolarHBondContact CB-CD2 3.33Å; A31-H55 PolarHBondContact N-NE2 3.19Å; E51-H55 PolarHBondContact O-N 2.85Å; E51-H55 PolarHBondContact O-ND1 3.12Å; E51-H55 VanDerWaalsContact O-ND1 3.09Å; H55-W57 VanDerWaalsContact C-N 3.33Å; H55-K58 PolarHBondContact O-N 3.21Å; H55-F59 PolarHBondContact O-N 2.99Å; H55-F162 HydrophobicContact CB-CE2 4Å; H55-F162 HydrophobicContact CB-CZ 4.14Å; H55-L199 HydrophobicContact CB-CD1 3.75Å; H55-Y201 HydrophobicContact CB-CE2 4.33Å; H55-Y201 AromaticContact ND1-CE2 3.89Å; H55-Y201 AromaticContact ND1-CZ 3.81Å; H55-Y201 PolarHBondContact ND1-OH 3.47Å
56	F	98.7	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-33.3	178.1	-166.8	-102.1	0	0	0	112.2	D52 F53 Y54 F59 C60 L72 L80 I119 V161 F162 V165	D52-F56 WeakPolarHBondContact O-CB 3.38Å; D52-F56 PolarHBondContact O-N 2.92Å; F53-F56 PolarHBondContact O-N 3.43Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 3.39Å; F56-F59 HydrophobicContact CD2-CD1 4.19Å; F56-F59 AromaticContact CE2-CD1 3.94Å; F56-F59 HydrophobicContact CE2-CD1 3.94Å; F56-F59 HydrophobicContact CE2-CE1 4.27Å; F56-F59 HydrophobicContact CZ-CD1 4.48Å; F56-F59 WeakPolarHBondContact O-CB 3.47Å; F56-F59 PolarHBondContact O-N 3.21Å; F56-C60 WeakPolarHBondContact O-CB 3.39Å; F56-C60 PolarHBondContact O-N 3.48Å; F56-L72 HydrophobicContact CE1-CD1 4.38Å; F56-L72 HydrophobicContact CZ-CD1 3.88Å; F56-L80 HydrophobicContact CD1-CD2 4.13Å; F56-L80 HydrophobicContact CE1-CD1 4.25Å; F56-L80 HydrophobicContact CE1-CD2 4.15Å; F56-L80 HydrophobicContact CE1-CG 4.33Å; F56-I119 HydrophobicContact CE1-CD1 4.28Å; F56-V161 HydrophobicContact CB-CG1 3.34Å; F56-V161 HydrophobicContact CD1-CG1 4.07Å; F56-V161 HydrophobicContact CD1-CG2 3.87Å; F56-V161 HydrophobicContact CD2-CG1 3.91Å; F56-V161 HydrophobicContact CD2-CG2 4.46Å; F56-V161 HydrophobicContact CE1-CG2 4.06Å; F56-V161 HydrophobicContact CG-CB 4.44Å; F56-V161 HydrophobicContact CG-CG1 3.5Å; F56-V161 HydrophobicContact CG-CG2 4.08Å; F56-V161 HydrophobicContact CZ-CG2 4.46Å; F56-F162 HydrophobicContact CB-CD2 4.36Å; F56-F162 HydrophobicContact CB-CE2 3.79Å; F56-F162 HydrophobicContact CB-CZ 4.06Å; F56-F162 AromaticContact CD2-CD1 3.91Å; F56-F162 HydrophobicContact CD2-CD1 3.91Å; F56-F162 HydrophobicContact CD2-CD2 4.01Å; F56-F162 AromaticContact CD2-CE1 3.86Å; F56-F162 HydrophobicContact CD2-CE1 3.86Å; F56-F162 AromaticContact CD2-CE2 3.96Å; F56-F162 HydrophobicContact CD2-CE2 3.96Å; F56-F162 AromaticContact CD2-CG 3.97Å; F56-F162 HydrophobicContact CD2-CG 3.97Å; F56-F162 AromaticContact CD2-CZ 3.89Å; F56-F162 HydrophobicContact CD2-CZ 3.89Å; F56-F162 HydrophobicContact CE2-CD1 4.36Å; F56-F162 HydrophobicContact CG-CE2 4.4Å; F56-F162 HydrophobicContact CG-CZ 4.49Å; F56-V165 HydrophobicContact CE1-CG2 4.31Å; F56-V165 HydrophobicContact CE2-CB 4.38Å; F56-V165 HydrophobicContact CE2-CG2 4.25Å; F56-V165 HydrophobicContact CZ-CB 4.16Å; F56-V165 HydrophobicContact CZ-CG1 4.26Å; F56-V165 HydrophobicContact CZ-CG2 3.67Å
57	W	98.4	Very high	97.4	Very high	11 Å²	11	46.4 Å²	46.4	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-47.6	167.9	179.2	-103.4	0	0	0	111.7	F53 Y54 H55 F59 C60 E61 P68 L80 Y84 L87 A88	F53-W57 PolarHBondContact O-N 3.21Å; F53-W57 VanDerWaalsContact O-N 3.07Å; Y54-W57 WeakPolarHBondContact O-CB 3.41Å; Y54-W57 PolarHBondContact O-N 3.02Å; H55-W57 VanDerWaalsContact C-N 3.33Å; W57-F59 PolarHBondContact O-N 3.19Å; W57-C60 CarbonylContact O-C 3.58Å; W57-C60 WeakPolarHBondContact O-CB 3.36Å; W57-C60 PolarHBondContact O-N 3.37Å; W57-C60 VanDerWaalsContact O-N 3.12Å; W57-E61 HydrophobicContact CZ2-CG 4.43Å; W57-E61 PolarHBondContact NE1-OE1 3.15Å; W57-E61 PolarHBondContact O-N 3.17Å; W57-P68 HydrophobicContact CE3-CB 4.32Å; W57-P68 HydrophobicContact CH2-CB 3.65Å; W57-P68 HydrophobicContact CH2-CG 4.06Å; W57-P68 HydrophobicContact CZ2-CB 3.86Å; W57-P68 HydrophobicContact CZ2-CG 3.95Å; W57-P68 HydrophobicContact CZ3-CB 3.9Å; W57-L80 HydrophobicContact CE3-CD2 4.19Å; W57-Y84 HydrophobicContact CB-CD1 4.34Å; W57-Y84 HydrophobicContact CB-CE1 4.01Å; W57-Y84 HydrophobicContact CD2-CD1 4.42Å; W57-Y84 AromaticContact CE3-CD1 3.63Å; W57-Y84 HydrophobicContact CE3-CD1 3.63Å; W57-Y84 HydrophobicContact CE3-CE1 4.3Å; W57-Y84 HydrophobicContact CE3-CG 4.45Å; W57-Y84 HydrophobicContact CZ3-CD1 4.36Å; W57-L87 HydrophobicContact CB-CD1 3.82Å; W57-L87 HydrophobicContact CD2-CB 3.9Å; W57-L87 HydrophobicContact CD2-CD1 3.83Å; W57-L87 HydrophobicContact CD2-CG 4.49Å; W57-L87 HydrophobicContact CE3-CB 4.16Å; W57-L87 HydrophobicContact CE3-CD1 4.26Å; W57-L87 HydrophobicContact CG-CB 4.45Å; W57-L87 HydrophobicContact CG-CD1 3.62Å; W57-L87 HydrophobicContact CH2-CB 4.19Å; W57-L87 HydrophobicContact CZ2-CB 3.96Å; W57-L87 HydrophobicContact CZ3-CB 4.29Å; W57-A88 HydrophobicContact CH2-CB 3.8Å; W57-A88 HydrophobicContact CZ3-CB 4.47Å
58	K	98.1	Very high	97.4	Very high	59 Å²	59	46.6 Å²	46.6	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-42.9	176.7	-68.9	-49.2	-168.6	175.6	0	113.1	D32 Y54 H55 C60 E61 E62	D32-K58 WeakPolarHBondContact O-CE 3.5Å; D32-K58 PolarHBondContact O-NZ 2.92Å; D32-K58 VanDerWaalsContact O-NZ 3.16Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 VanDerWaalsContact O-N 3.15Å; H55-K58 PolarHBondContact O-N 3.21Å; K58-C60 VanDerWaalsContact C-N 3.28Å; K58-C60 PolarHBondContact O-N 2.99Å; K58-E61 WeakPolarHBondContact CD-OE2 3.49Å; K58-E61 WeakPolarHBondContact CE-OE2 3.48Å; K58-E61 IonicContact NZ-OE1 2.69Å; K58-E61 IonicContact NZ-OE2 3.97Å; K58-E61 PolarHBondContact NZ-OE2 3.13Å; K58-E61 WeakPolarHBondContact O-CB 3.33Å; K58-E61 PolarHBondContact O-N 2.87Å; K58-E62 PolarHBondContact O-N 2.74Å
59	F	98.1	Very high	97.4	Very high	12 Å²	12	44 Å²	44	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-44	172.5	172.9	-97.6	0	0	0	111.8	H55 F56 W57 E62 L63 F162 K191 L192 A195	H55-F59 PolarHBondContact O-N 2.99Å; F56-F59 HydrophobicContact CD2-CD1 4.19Å; F56-F59 AromaticContact CE2-CD1 3.94Å; F56-F59 HydrophobicContact CE2-CD1 3.94Å; F56-F59 HydrophobicContact CE2-CE1 4.27Å; F56-F59 HydrophobicContact CZ-CD1 4.48Å; F56-F59 WeakPolarHBondContact O-CB 3.47Å; F56-F59 PolarHBondContact O-N 3.21Å; W57-F59 PolarHBondContact O-N 3.19Å; F59-E62 PolarHBondContact O-N 3.19Å; F59-L63 HydrophobicContact CD1-CD1 4.11Å; F59-L63 HydrophobicContact CE1-CD1 3.48Å; F59-L63 VanDerWaalsContact CE1-CD1 3.48Å; F59-L63 HydrophobicContact CE1-CG 4.27Å; F59-L63 HydrophobicContact CZ-CD1 3.81Å; F59-L63 HydrophobicContact CZ-CG 4.34Å; F59-L63 WeakPolarHBondContact O-CG 3.31Å; F59-L63 PolarHBondContact O-N 3.17Å; F59-F162 HydrophobicContact CB-CE1 4.11Å; F59-F162 HydrophobicContact CB-CZ 4.22Å; F59-F162 HydrophobicContact CD2-CE1 4.36Å; F59-F162 HydrophobicContact CG-CE1 4.11Å; F59-K191 HydrophobicContact CE2-CB 3.98Å; F59-K191 HydrophobicContact CZ-CB 4.32Å; F59-L192 HydrophobicContact CE2-CB 4.4Å; F59-L192 HydrophobicContact CZ-CB 3.91Å; F59-L192 HydrophobicContact CZ-CG 4.49Å; F59-A195 HydrophobicContact CD2-CB 3.9Å; F59-A195 HydrophobicContact CE2-CB 4.27Å
60	C	98.3	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-35.2	176.8	-79.1	0	0	0	0	113.5	F56 W57 K58 E62 L63 D64 P68 S71 L80	F56-C60 WeakPolarHBondContact O-CB 3.39Å; F56-C60 PolarHBondContact O-N 3.48Å; W57-C60 CarbonylContact O-C 3.58Å; W57-C60 WeakPolarHBondContact O-CB 3.36Å; W57-C60 PolarHBondContact O-N 3.37Å; W57-C60 VanDerWaalsContact O-N 3.12Å; K58-C60 VanDerWaalsContact C-N 3.28Å; K58-C60 PolarHBondContact O-N 2.99Å; C60-E62 VanDerWaalsContact C-N 3.3Å; C60-E62 PolarHBondContact O-N 2.96Å; C60-L63 PolarHBondContact O-N 3.22Å; C60-D64 PolarHBondContact O-N 3.37Å; C60-P68 HydrophobicContact CB-CB 4.35Å; C60-P68 WeakPolarHBondContact CB-O 3.43Å; C60-S71 WeakPolarHBondContact CB-OG 3.27Å; C60-S71 PolarHBondContact SG-OG 3.34Å; C60-L80 HydrophobicContact CB-CD2 4.15Å
61	E	97.2	Very high	97.4	Very high	57 Å²	57	46.3 Å²	46.3	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-38	171.9	-76.7	-177.1	155.9	0	0	111.7	W57 K58 L63 D64 P65 P68	W57-E61 HydrophobicContact CZ2-CG 4.43Å; W57-E61 PolarHBondContact NE1-OE1 3.15Å; W57-E61 PolarHBondContact O-N 3.17Å; K58-E61 WeakPolarHBondContact CD-OE2 3.49Å; K58-E61 WeakPolarHBondContact CE-OE2 3.48Å; K58-E61 IonicContact NZ-OE1 2.69Å; K58-E61 IonicContact NZ-OE2 3.97Å; K58-E61 PolarHBondContact NZ-OE2 3.13Å; K58-E61 WeakPolarHBondContact O-CB 3.33Å; K58-E61 PolarHBondContact O-N 2.87Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-D64 CarbonylContact O-C 3.33Å; E61-P65 VanDerWaalsContact O-CA 3.28Å; E61-P65 WeakPolarHBondContact O-CA 3.45Å; E61-P65 WeakPolarHBondContact O-CD 3.42Å; E61-P65 VanDerWaalsContact O-CG 3.31Å; E61-P65 WeakPolarHBondContact O-CG 3.44Å; E61-P65 VanDerWaalsContact O-N 3.09Å; E61-P68 HydrophobicContact CB-CB 4.47Å; E61-P68 HydrophobicContact CB-CG 4.32Å; E61-P68 HydrophobicContact CG-CB 3.82Å; E61-P68 HydrophobicContact CG-CG 3.59Å
62	E	96.3	Very high	97.3	Very high	158 Å²	158	44 Å²	44	74%	0.738	22%	0.22	S	C	*	.	H	α-helix	trans	-70.3	-28.5	175.6	-70.3	-179.3	-177	0	0	113.2	K58 F59 C60	K58-E62 PolarHBondContact O-N 2.74Å; F59-E62 PolarHBondContact O-N 3.19Å; C60-E62 VanDerWaalsContact C-N 3.3Å; C60-E62 PolarHBondContact O-N 2.96Å
63	L	96.1	Very high	97.2	Very high	48 Å²	48	45.3 Å²	45.3	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-76.1	-42.6	176.4	-69.7	-177.8	0	0	0	112.2	F59 C60 E61 L72 K191	F59-L63 HydrophobicContact CD1-CD1 4.11Å; F59-L63 HydrophobicContact CE1-CD1 3.48Å; F59-L63 VanDerWaalsContact CE1-CD1 3.48Å; F59-L63 HydrophobicContact CE1-CG 4.27Å; F59-L63 HydrophobicContact CZ-CD1 3.81Å; F59-L63 HydrophobicContact CZ-CG 4.34Å; F59-L63 WeakPolarHBondContact O-CG 3.31Å; F59-L63 PolarHBondContact O-N 3.17Å; C60-L63 PolarHBondContact O-N 3.22Å; E61-L63 VanDerWaalsContact C-N 3.33Å; L63-L72 HydrophobicContact CD1-CD2 3.86Å; L63-K191 HydrophobicContact CD2-CD 3.8Å
64	D	96.2	Very high	96.9	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	27%	0.27	S	S	.	.			trans	-147.4	96.9	177.3	-171.5	-23.8	0	0	0	109.8	C60 E61 E66 K67 P68	C60-D64 PolarHBondContact O-N 3.37Å; E61-D64 CarbonylContact O-C 3.33Å; D64-E66 PolarHBondContact O-N 2.88Å; D64-E66 PolarHBondContact OD1-N 3.12Å; D64-K67 CarbonylContact O-C 3.46Å; D64-K67 PolarHBondContact OD1-N 3.31Å; D64-P68 VanDerWaalsContact O-CA 3.32Å; D64-P68 WeakPolarHBondContact O-CA 3.44Å; D64-P68 WeakPolarHBondContact O-CD 3.4Å; D64-P68 WeakPolarHBondContact O-CG 3.41Å; D64-P68 VanDerWaalsContact O-N 3.13Å
65	P	95.4	Very high	96.7	Very high	107 Å²	107	50.2 Å²	50.2	70%	0.695	27%	0.271	S	S	*	.	S	Bend	trans	-66.7	-22.9	-179.8	-21.2	31.3	0	0	0	114	E61	E61-P65 VanDerWaalsContact O-CA 3.28Å; E61-P65 WeakPolarHBondContact O-CA 3.45Å; E61-P65 WeakPolarHBondContact O-CD 3.42Å; E61-P65 VanDerWaalsContact O-CG 3.31Å; E61-P65 WeakPolarHBondContact O-CG 3.44Å; E61-P65 VanDerWaalsContact O-N 3.09Å
66	E	94.9	Very high	96.5	Very high	174 Å²	174	49.7 Å²	49.7	81%	0.813	27%	0.269	S	S	*	.	S	Bend	trans	-81.9	-39.3	-178.9	-66.1	-169	168.3	0	0	111.3	D64	D64-E66 PolarHBondContact O-N 2.88Å; D64-E66 PolarHBondContact OD1-N 3.12Å
67	K	95.4	Very high	96.4	Very high	124 Å²	124	51.6 Å²	51.6	54%	0.539	29%	0.288	S	S	.	.			trans	-137	70.8	-179.6	-62.9	-177.1	-176.9	176.5	0	112	D64 S69 D70 S71	D64-K67 CarbonylContact O-C 3.46Å; D64-K67 PolarHBondContact OD1-N 3.31Å; K67-S69 PolarHBondContact O-N 3.01Å; K67-S69 VanDerWaalsContact O-N 3.13Å; K67-D70 HydrophobicContact CB-CB 4.22Å; K67-D70 PolarHBondContact O-N 3.25Å; K67-S71 PolarHBondContact O-N 2.93Å
68	P	97.2	Very high	96.4	Very high	15 Å²	15	51 Å²	51	10%	0.097	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.7	-37.5	-176.1	-23.9	32.3	0	0	0	112.8	W57 C60 E61 D64 D70 S71	W57-P68 HydrophobicContact CE3-CB 4.32Å; W57-P68 HydrophobicContact CH2-CB 3.65Å; W57-P68 HydrophobicContact CH2-CG 4.06Å; W57-P68 HydrophobicContact CZ2-CB 3.86Å; W57-P68 HydrophobicContact CZ2-CG 3.95Å; W57-P68 HydrophobicContact CZ3-CB 3.9Å; C60-P68 HydrophobicContact CB-CB 4.35Å; C60-P68 WeakPolarHBondContact CB-O 3.43Å; E61-P68 HydrophobicContact CB-CB 4.47Å; E61-P68 HydrophobicContact CB-CG 4.32Å; E61-P68 HydrophobicContact CG-CB 3.82Å; E61-P68 HydrophobicContact CG-CG 3.59Å; D64-P68 VanDerWaalsContact O-CA 3.32Å; D64-P68 WeakPolarHBondContact O-CA 3.44Å; D64-P68 WeakPolarHBondContact O-CD 3.4Å; D64-P68 WeakPolarHBondContact O-CG 3.41Å; D64-P68 VanDerWaalsContact O-N 3.13Å; P68-D70 PolarHBondContact O-N 3.27Å; P68-S71 WeakPolarHBondContact O-CB 3.33Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.73Å
69	S	97.1	Very high	96.4	Very high	5 Å²	5	51.3 Å²	51.3	4%	0.035	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-65	-24.4	179.6	61.3	0	0	0	0	114.5	K67 L80 K90	K67-S69 PolarHBondContact O-N 3.01Å; K67-S69 VanDerWaalsContact O-N 3.13Å; S69-L80 PolarHBondContact O-N 2.77Å; S69-K90 PolarHBondContact OG-NZ 3.46Å
70	D	97.7	Very high	96.5	Very high	49 Å²	49	50.8 Å²	50.8	26%	0.262	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-106.1	3.3	-178.6	-66.1	-50.7	0	0	0	112.9	K67 P68 L72 S73 Q79	K67-D70 HydrophobicContact CB-CB 4.22Å; K67-D70 PolarHBondContact O-N 3.25Å; P68-D70 PolarHBondContact O-N 3.27Å; D70-L72 PolarHBondContact O-N 3.15Å; D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 2.77Å; D70-Q79 PolarHBondContact OD1-NE2 2.69Å
71	S	97.3	Very high	96.5	Very high	20 Å²	20	51 Å²	51	14%	0.14	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.5	-177.3	58.6	0	0	0	0	114.1	C60 K67 P68	C60-S71 WeakPolarHBondContact CB-OG 3.27Å; C60-S71 PolarHBondContact SG-OG 3.34Å; K67-S71 PolarHBondContact O-N 2.93Å; P68-S71 WeakPolarHBondContact O-CB 3.33Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.73Å
72	L	97.1	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.5	178.6	-57.5	-179.7	0	0	0	113.8	F56 L63 D70 S75 L76 G77 L78 V165 I188	F56-L72 HydrophobicContact CE1-CD1 4.38Å; F56-L72 HydrophobicContact CZ-CD1 3.88Å; L63-L72 HydrophobicContact CD1-CD2 3.86Å; D70-L72 PolarHBondContact O-N 3.15Å; L72-S75 PolarHBondContact O-OG 2.73Å; L72-L76 HydrophobicContact CB-CD1 4.38Å; L72-L76 HydrophobicContact CD1-CD1 4.42Å; L72-L76 HydrophobicContact CD2-CD1 4.29Å; L72-L76 WeakPolarHBondContact O-CA 3.17Å; L72-L76 WeakPolarHBondContact O-CB 3.05Å; L72-L76 PolarHBondContact O-N 3.47Å; L72-G77 PolarHBondContact O-N 2.93Å; L72-L78 CarbonylContact C-O 3.23Å; L72-L78 VanDerWaalsContact C-O 3.23Å; L72-L78 HydrophobicContact CB-CB 4.26Å; L72-L78 PolarHBondContact O-N 3.31Å; L72-V165 HydrophobicContact CD1-CG1 3.96Å; L72-I188 HydrophobicContact CD2-CG2 4.23Å
73	S	95.9	Very high	96.6	Very high	40 Å²	40	40.7 Å²	40.7	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-49.9	-172.3	-173.5	0	0	0	0	111.6	D70 S75 G77 L78	D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 2.77Å; S73-S75 VanDerWaalsContact C-N 3.33Å; S73-S75 PolarHBondContact O-N 2.74Å; S73-G77 WeakPolarHBondContact O-CA 3.48Å; S73-G77 PolarHBondContact O-N 2.97Å; S73-L78 WeakPolarHBondContact CA-O 3.15Å; S73-L78 PolarHBondContact N-O 3.16Å; S73-L78 VanDerWaalsContact N-O 3.07Å
74	A	93.1	Very high	96.7	Very high	100 Å²	100	38.4 Å²	38.4	83%	0.826	23%	0.227	S	C	*	.	H	α-helix	trans	-66.6	-33.3	-179.5	0	0	0	0	0	113.3
75	S	92.9	Very high	96.7	Very high	5 Å²	5	36 Å²	36	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-87.1	-54.6	-174.7	56.4	0	0	0	0	112.2	L72 S73 K181 I188	L72-S75 PolarHBondContact O-OG 2.73Å; S73-S75 VanDerWaalsContact C-N 3.33Å; S73-S75 PolarHBondContact O-N 2.74Å; S75-K181 WeakPolarHBondContact O-CE 3.37Å; S75-K181 PolarHBondContact O-NZ 2.97Å; S75-I188 WeakPolarHBondContact OG-CD1 3.4Å
76	L	95.5	Very high	96.7	Very high	7 Å²	7	31 Å²	31	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-103	-15.2	-173.7	-69.7	171.5	0	0	0	113.5	L72 L78 V165 F168 L169 K172 L185	L72-L76 HydrophobicContact CB-CD1 4.38Å; L72-L76 HydrophobicContact CD1-CD1 4.42Å; L72-L76 HydrophobicContact CD2-CD1 4.29Å; L72-L76 WeakPolarHBondContact O-CA 3.17Å; L72-L76 WeakPolarHBondContact O-CB 3.05Å; L72-L76 PolarHBondContact O-N 3.47Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CB 4.3Å; L76-L78 HydrophobicContact CB-CD1 4.1Å; L76-L78 HydrophobicContact CB-CG 3.89Å; L76-L78 HydrophobicContact CD1-CD1 4.18Å; L76-V165 HydrophobicContact CD1-CG1 4.1Å; L76-F168 HydrophobicContact CB-CE1 4.22Å; L76-F168 HydrophobicContact CD2-CD1 4.18Å; L76-F168 HydrophobicContact CD2-CE1 4.23Å; L76-L169 HydrophobicContact CD1-CB 4.5Å; L76-L169 HydrophobicContact CD1-CD1 4.37Å; L76-L169 HydrophobicContact CD2-CB 4.06Å; L76-L169 HydrophobicContact CD2-CD1 4.48Å; L76-L169 HydrophobicContact CD2-CG 4.03Å; L76-K172 HydrophobicContact CD2-CB 4.42Å; L76-K172 HydrophobicContact CD2-CG 4.46Å; L76-L185 HydrophobicContact CD2-CD2 3.42Å; L76-L185 VanDerWaalsContact CD2-CD2 3.42Å; L76-L185 HydrophobicContact CG-CD2 3.89Å
77	G	96.8	Very high	96.7	Very high	39 Å²	39	23.5 Å²	23.5	40%	0.402	15%	0.147	S	C	.	.	S	Bend	trans	69.9	28.6	-169.8	0	0	0	0	0	112	L72 S73 G121	L72-G77 PolarHBondContact O-N 2.93Å; S73-G77 WeakPolarHBondContact O-CA 3.48Å; S73-G77 PolarHBondContact O-N 2.97Å; G77-G121 WeakPolarHBondContact O-CA 3.32Å
78	L	98.4	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	14%	0.137	C	C	.	.			trans	-111.4	141.5	179	-63.2	-178.6	0	0	0	110.7	L72 S73 L76 I119 I120 Y127 M129 F168	L72-L78 CarbonylContact C-O 3.23Å; L72-L78 VanDerWaalsContact C-O 3.23Å; L72-L78 HydrophobicContact CB-CB 4.26Å; L72-L78 PolarHBondContact O-N 3.31Å; S73-L78 WeakPolarHBondContact CA-O 3.15Å; S73-L78 PolarHBondContact N-O 3.16Å; S73-L78 VanDerWaalsContact N-O 3.07Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CB 4.3Å; L76-L78 HydrophobicContact CB-CD1 4.1Å; L76-L78 HydrophobicContact CB-CG 3.89Å; L76-L78 HydrophobicContact CD1-CD1 4.18Å; L78-I119 HydrophobicContact CB-CG2 4Å; L78-I119 HydrophobicContact CD1-CG2 4.35Å; L78-I119 HydrophobicContact CD2-CG2 4.06Å; L78-I119 HydrophobicContact CG-CG2 4.36Å; L78-I120 CarbonylContact C-O 3.59Å; L78-I120 VanDerWaalsContact CA-O 3.28Å; L78-I120 WeakPolarHBondContact CA-O 3.43Å; L78-Y127 HydrophobicContact CD2-CE1 4.36Å; L78-M129 HydrophobicContact CD1-CE 3.81Å; L78-M129 HydrophobicContact CD2-CE 4.21Å; L78-F168 HydrophobicContact CD1-CD1 3.66Å; L78-F168 HydrophobicContact CD1-CE1 3.9Å; L78-F168 HydrophobicContact CD1-CG 4.17Å; L78-F168 HydrophobicContact CD2-CD1 4.39Å; L78-F168 HydrophobicContact CD2-CE1 3.96Å; L78-F168 HydrophobicContact CD2-CE2 4.24Å; L78-F168 HydrophobicContact CD2-CZ 3.87Å; L78-F168 HydrophobicContact CG-CD1 4.19Å; L78-F168 HydrophobicContact CG-CE1 3.89Å; L78-F168 HydrophobicContact CG-CZ 4.31Å
79	Q	98.5	Very high	96.5	Very high	64 Å²	64	19.9 Å²	19.9	30%	0.299	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	175.4	-62.7	179.6	-65.2	0	0	110	D70 V81 I119 I120	D70-Q79 PolarHBondContact OD1-NE2 2.69Å; Q79-V81 HydrophobicContact CB-CG1 4.49Å; Q79-I119 CarbonylContact O-C 3.58Å; Q79-I119 VanDerWaalsContact O-CA 3.29Å; Q79-I119 WeakPolarHBondContact O-CA 3.35Å; Q79-I120 HydrophobicContact CB-CD1 4.33Å; Q79-I120 HydrophobicContact CB-CG1 3.87Å; Q79-I120 PolarHBondContact N-O 3.08Å; Q79-I120 PolarHBondContact O-N 2.83Å
80	L	98.7	Very high	96.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.9	174	-72.9	64.8	0	0	0	108.4	F56 W57 C60 S69 Y84	F56-L80 HydrophobicContact CD1-CD2 4.13Å; F56-L80 HydrophobicContact CE1-CD1 4.25Å; F56-L80 HydrophobicContact CE1-CD2 4.15Å; F56-L80 HydrophobicContact CE1-CG 4.33Å; W57-L80 HydrophobicContact CE3-CD2 4.19Å; C60-L80 HydrophobicContact CB-CD2 4.15Å; S69-L80 PolarHBondContact O-N 2.77Å; L80-Y84 HydrophobicContact CB-CD1 4.48Å; L80-Y84 HydrophobicContact CB-CD2 3.63Å; L80-Y84 HydrophobicContact CB-CE2 4.26Å; L80-Y84 HydrophobicContact CB-CG 3.75Å; L80-Y84 HydrophobicContact CD2-CD1 3.91Å; L80-Y84 HydrophobicContact CD2-CD2 4.1Å; L80-Y84 HydrophobicContact CD2-CE1 3.95Å; L80-Y84 HydrophobicContact CD2-CE2 4.09Å; L80-Y84 HydrophobicContact CD2-CG 4Å; L80-Y84 HydrophobicContact CG-CD2 3.93Å; L80-Y84 HydrophobicContact CG-CE2 4.05Å; L80-Y84 HydrophobicContact CG-CG 4.22Å
81	V	98.4	Very high	95.8	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	15%	0.15	C	C	.	.			trans	-141.3	-178.5	-173.4	-64.8	0	0	0	0	112	Q79 P83 Y84 D85 W106 T117 I118 I120	Q79-V81 HydrophobicContact CB-CG1 4.49Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; V81-Y84 PolarHBondContact O-N 3.17Å; V81-D85 WeakPolarHBondContact CA-OD2 3.43Å; V81-W106 HydrophobicContact CB-CD2 4.1Å; V81-W106 HydrophobicContact CB-CG 3.98Å; V81-W106 HydrophobicContact CG1-CD2 4.3Å; V81-W106 HydrophobicContact CG1-CZ2 3.96Å; V81-W106 HydrophobicContact CG2-CB 4.31Å; V81-W106 HydrophobicContact CG2-CD2 4.16Å; V81-W106 HydrophobicContact CG2-CG 3.93Å; V81-T117 HydrophobicContact CG2-CG2 3.97Å; V81-I118 PolarHBondContact N-O 3.4Å; V81-I120 HydrophobicContact CG1-CD1 3.81Å; V81-I120 HydrophobicContact CG1-CG1 3.8Å; V81-I120 HydrophobicContact CG2-CG1 4.43Å; V81-I120 HydrophobicContact CG2-CG2 3.78Å
82	G	97.6	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-119.2	173.7	0	0	0	0	0	110	Y45 Y84 D85	Y45-G82 VanDerWaalsContact OH-CA 3.28Å; Y45-G82 WeakPolarHBondContact OH-CA 3.37Å; G82-Y84 PolarHBondContact O-N 3.09Å; G82-Y84 VanDerWaalsContact O-N 3.17Å; G82-D85 PolarHBondContact N-OD2 2.96Å; G82-D85 WeakPolarHBondContact O-CB 3.46Å; G82-D85 PolarHBondContact O-N 2.94Å
83	P	97.9	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-24.6	175.3	24.5	-32	0	0	0	113.3	I41 Y45 L49 F53 V81 D85 I86 I118	I41-P83 HydrophobicContact CG2-CB 3.74Å; Y45-P83 HydrophobicContact CD2-CB 4.23Å; Y45-P83 HydrophobicContact CE2-CB 3.94Å; L49-P83 HydrophobicContact CD1-CB 3.72Å; L49-P83 HydrophobicContact CD1-CG 4.29Å; L49-P83 HydrophobicContact CD2-CG 4.36Å; F53-P83 HydrophobicContact CE2-CB 3.9Å; F53-P83 HydrophobicContact CE2-CG 3.69Å; F53-P83 HydrophobicContact CZ-CB 3.73Å; F53-P83 HydrophobicContact CZ-CG 4.07Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; P83-D85 VanDerWaalsContact C-N 3.27Å; P83-D85 PolarHBondContact O-N 2.96Å; P83-I86 PolarHBondContact O-N 3.34Å; P83-I118 HydrophobicContact CG-CG2 3.87Å
84	Y	98.3	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-24.7	172	-70.3	-64.5	0	0	0	113.2	F53 W57 L80 V81 G82 I86 L87 A88 I118	F53-Y84 HydrophobicContact CD2-CD1 4.15Å; F53-Y84 HydrophobicContact CD2-CD2 4.34Å; F53-Y84 AromaticContact CD2-CE1 3.5Å; F53-Y84 HydrophobicContact CD2-CE1 3.5Å; F53-Y84 AromaticContact CD2-CE2 3.78Å; F53-Y84 HydrophobicContact CD2-CE2 3.78Å; F53-Y84 AromaticContact CD2-CZ 3.29Å; F53-Y84 WeakPolarHBondContact CD2-OH 3.42Å; F53-Y84 HydrophobicContact CE1-CE1 4.39Å; F53-Y84 AromaticContact CE2-CD1 3.38Å; F53-Y84 HydrophobicContact CE2-CD1 3.38Å; F53-Y84 AromaticContact CE2-CD2 3.67Å; F53-Y84 HydrophobicContact CE2-CD2 3.67Å; F53-Y84 AromaticContact CE2-CE1 3.23Å; F53-Y84 HydrophobicContact CE2-CE1 3.23Å; F53-Y84 AromaticContact CE2-CE2 3.58Å; F53-Y84 HydrophobicContact CE2-CE2 3.58Å; F53-Y84 AromaticContact CE2-CG 3.59Å; F53-Y84 HydrophobicContact CE2-CG 3.59Å; F53-Y84 AromaticContact CE2-CZ 3.34Å; F53-Y84 HydrophobicContact CG-CE1 4.19Å; F53-Y84 AromaticContact CZ-CD1 3.59Å; F53-Y84 HydrophobicContact CZ-CD1 3.59Å; F53-Y84 AromaticContact CZ-CE1 3.72Å; F53-Y84 HydrophobicContact CZ-CE1 3.72Å; F53-Y84 HydrophobicContact CZ-CG 4.02Å; F53-Y84 WeakPolarHBondContact O-CE1 3.47Å; F53-Y84 PolarHBondContact O-OH 2.89Å; W57-Y84 HydrophobicContact CB-CD1 4.34Å; W57-Y84 HydrophobicContact CB-CE1 4.01Å; W57-Y84 HydrophobicContact CD2-CD1 4.42Å; W57-Y84 AromaticContact CE3-CD1 3.63Å; W57-Y84 HydrophobicContact CE3-CD1 3.63Å; W57-Y84 HydrophobicContact CE3-CE1 4.3Å; W57-Y84 HydrophobicContact CE3-CG 4.45Å; W57-Y84 HydrophobicContact CZ3-CD1 4.36Å; L80-Y84 HydrophobicContact CB-CD1 4.48Å; L80-Y84 HydrophobicContact CB-CD2 3.63Å; L80-Y84 HydrophobicContact CB-CE2 4.26Å; L80-Y84 HydrophobicContact CB-CG 3.75Å; L80-Y84 HydrophobicContact CD2-CD1 3.91Å; L80-Y84 HydrophobicContact CD2-CD2 4.1Å; L80-Y84 HydrophobicContact CD2-CE1 3.95Å; L80-Y84 HydrophobicContact CD2-CE2 4.09Å; L80-Y84 HydrophobicContact CD2-CG 4Å; L80-Y84 HydrophobicContact CG-CD2 3.93Å; L80-Y84 HydrophobicContact CG-CE2 4.05Å; L80-Y84 HydrophobicContact CG-CG 4.22Å; V81-Y84 PolarHBondContact O-N 3.17Å; G82-Y84 PolarHBondContact O-N 3.09Å; G82-Y84 VanDerWaalsContact O-N 3.17Å; Y84-I86 PolarHBondContact O-N 3.24Å; Y84-L87 HydrophobicContact CD1-CD1 3.98Å; Y84-L87 HydrophobicContact CE1-CD1 4.44Å; Y84-L87 PolarHBondContact O-N 3.18Å; Y84-A88 WeakPolarHBondContact O-CB 3.46Å; Y84-A88 PolarHBondContact O-N 3.33Å; Y84-I118 HydrophobicContact CD2-CB 4.27Å; Y84-I118 VanDerWaalsContact CD2-O 3.29Å; Y84-I118 WeakPolarHBondContact CD2-O 3.25Å; Y84-I118 HydrophobicContact CE2-CB 3.96Å
85	D	96.8	Very high	90.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-26	176.7	-68	-41.2	0	0	0	111.6	V81 G82 P83 G89 K90 H105 W106 L344	V81-D85 WeakPolarHBondContact CA-OD2 3.43Å; G82-D85 PolarHBondContact N-OD2 2.96Å; G82-D85 WeakPolarHBondContact O-CB 3.46Å; G82-D85 PolarHBondContact O-N 2.94Å; P83-D85 VanDerWaalsContact C-N 3.27Å; P83-D85 PolarHBondContact O-N 2.96Å; D85-G89 PolarHBondContact O-N 3.17Å; D85-K90 HydrophobicContact CB-CB 4.34Å; D85-K90 HydrophobicContact CB-CD 4.16Å; D85-K90 WeakPolarHBondContact O-CB 3.48Å; D85-K90 PolarHBondContact O-N 3.39Å; D85-K90 VanDerWaalsContact OD1-CD 3.27Å; D85-K90 WeakPolarHBondContact OD1-CD 3.5Å; D85-K90 WeakPolarHBondContact OD1-CE 3.11Å; D85-K90 IonicContact OD1-NZ 2.7Å; D85-K90 PolarHBondContact OD1-NZ 3.26Å; D85-H105 IonicContact OD2-CE1 2.71Å; D85-H105 IonicContact OD2-NE2 3.75Å; D85-H105 PolarHBondContact OD2-NE2 2.9Å; D85-H105 VanDerWaalsContact OD2-NE2 3.08Å; D85-W106 PolarHBondContact OD2-NE1 2.79Å; D85-L344 HydrophobicContact CB-CD1 3.73Å
86	I	95.4	Very high	88.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-43.7	171.7	-60.4	176.8	0	0	0	110.7	E40 I41 H44 Y45 P83 Y84 A88 G89 H91 F102	E40-I86 HydrophobicContact CG-CG2 4.12Å; I41-I86 HydrophobicContact CB-CD1 4.45Å; I41-I86 HydrophobicContact CG1-CB 3.86Å; I41-I86 HydrophobicContact CG1-CD1 4.27Å; I41-I86 HydrophobicContact CG1-CG2 3.51Å; I41-I86 HydrophobicContact CG2-CD1 4.37Å; H44-I86 HydrophobicContact CB-CD1 3.81Å; Y45-I86 HydrophobicContact CD2-CD1 3.98Å; Y45-I86 HydrophobicContact CE2-CD1 3.81Å; P83-I86 PolarHBondContact O-N 3.34Å; Y84-I86 PolarHBondContact O-N 3.24Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.27Å; I86-G89 WeakPolarHBondContact O-CA 3.29Å; I86-G89 PolarHBondContact O-N 3.27Å; I86-H91 PolarHBondContact O-CE1 2.83Å; I86-F102 HydrophobicContact CD1-CD1 4.4Å; I86-F102 HydrophobicContact CD1-CE1 3.9Å; I86-F102 HydrophobicContact CD1-CZ 4.18Å; I86-F102 HydrophobicContact CG1-CE1 3.99Å; I86-F102 HydrophobicContact CG1-CZ 4.28Å
87	L	95.7	Very high	86.2	Confident	18 Å²	18	52.6 Å²	52.6	9%	0.094	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-38.1	174.3	-71.4	178.3	0	0	0	112	V33 L37 I41 F53 Y54 W57 Y84 G89	V33-L87 HydrophobicContact CG1-CD2 3.88Å; L37-L87 HydrophobicContact CB-CD2 4.38Å; I41-L87 HydrophobicContact CD1-CD1 4.35Å; I41-L87 HydrophobicContact CD1-CD2 3.61Å; I41-L87 HydrophobicContact CD1-CG 3.69Å; F53-L87 HydrophobicContact CD1-CD1 4.5Å; F53-L87 HydrophobicContact CE1-CD1 3.53Å; F53-L87 HydrophobicContact CE1-CG 4.35Å; F53-L87 HydrophobicContact CZ-CD1 3.67Å; F53-L87 HydrophobicContact CZ-CG 4.4Å; Y54-L87 HydrophobicContact CD1-CD1 4.45Å; W57-L87 HydrophobicContact CB-CD1 3.82Å; W57-L87 HydrophobicContact CD2-CB 3.9Å; W57-L87 HydrophobicContact CD2-CD1 3.83Å; W57-L87 HydrophobicContact CD2-CG 4.49Å; W57-L87 HydrophobicContact CE3-CB 4.16Å; W57-L87 HydrophobicContact CE3-CD1 4.26Å; W57-L87 HydrophobicContact CG-CB 4.45Å; W57-L87 HydrophobicContact CG-CD1 3.62Å; W57-L87 HydrophobicContact CH2-CB 4.19Å; W57-L87 HydrophobicContact CZ2-CB 3.96Å; W57-L87 HydrophobicContact CZ3-CB 4.29Å; Y84-L87 HydrophobicContact CD1-CD1 3.98Å; Y84-L87 HydrophobicContact CE1-CD1 4.44Å; Y84-L87 PolarHBondContact O-N 3.18Å; L87-G89 PolarHBondContact O-N 3.07Å
88	A	94.9	Very high	84.1	Confident	38 Å²	38	57.4 Å²	57.4	31%	0.314	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4	173.5	0	0	0	0	0	113.6	W57 Y84 I86 K90	W57-A88 HydrophobicContact CH2-CB 3.8Å; W57-A88 HydrophobicContact CZ3-CB 4.47Å; Y84-A88 WeakPolarHBondContact O-CB 3.46Å; Y84-A88 PolarHBondContact O-N 3.33Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.27Å; A88-K90 HydrophobicContact CB-CD 4.28Å; A88-K90 HydrophobicContact CB-CG 3.94Å; A88-K90 PolarHBondContact O-N 3.31Å
89	G	92.4	Very high	82.6	Confident	25 Å²	25	60.7 Å²	60.7	26%	0.258	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.3	-179.5	0	0	0	0	0	115	D85 I86 L87 H91 K92	D85-G89 PolarHBondContact O-N 3.17Å; I86-G89 WeakPolarHBondContact O-CA 3.29Å; I86-G89 PolarHBondContact O-N 3.27Å; L87-G89 PolarHBondContact O-N 3.07Å; G89-H91 VanDerWaalsContact C-N 3.26Å; G89-H91 PolarHBondContact O-N 2.92Å; G89-K92 WeakPolarHBondContact O-CB 3.29Å; G89-K92 PolarHBondContact O-N 3.43Å; G89-K92 VanDerWaalsContact O-N 3.14Å
90	K	91.6	Very high	81.9	Confident	74 Å²	74	59.8 Å²	59.8	32%	0.322	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64.6	-31.4	-173.5	-65.9	179.9	-167.1	164.5	0	112.3	S69 D85 A88 K92 T93 L344	S69-K90 PolarHBondContact OG-NZ 3.46Å; D85-K90 HydrophobicContact CB-CB 4.34Å; D85-K90 HydrophobicContact CB-CD 4.16Å; D85-K90 WeakPolarHBondContact O-CB 3.48Å; D85-K90 PolarHBondContact O-N 3.39Å; D85-K90 VanDerWaalsContact OD1-CD 3.27Å; D85-K90 WeakPolarHBondContact OD1-CD 3.5Å; D85-K90 WeakPolarHBondContact OD1-CE 3.11Å; D85-K90 IonicContact OD1-NZ 2.7Å; D85-K90 PolarHBondContact OD1-NZ 3.26Å; A88-K90 HydrophobicContact CB-CD 4.28Å; A88-K90 HydrophobicContact CB-CG 3.94Å; A88-K90 PolarHBondContact O-N 3.31Å; K90-K92 VanDerWaalsContact C-N 3.25Å; K90-K92 PolarHBondContact O-N 3.27Å; K90-T93 PolarHBondContact O-N 3.42Å; K90-T93 PolarHBondContact O-OG1 3.27Å; K90-L344 HydrophobicContact CB-CD1 4.06Å
91	H	88.4	Confident	81.5	Confident	20 Å²	20	61.8 Å²	61.8	9%	0.093	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-66.8	-21.4	177.6	68.3	-58.6	0	0	0	113.9	E40 I86 G89 T93 F102 L344	E40-H91 IonicContact OE1-CD2 3.13Å; E40-H91 IonicContact OE1-CE1 3.6Å; E40-H91 IonicContact OE1-NE2 3Å; E40-H91 PolarHBondContact OE1-NE2 3.12Å; I86-H91 PolarHBondContact O-CE1 2.83Å; G89-H91 VanDerWaalsContact C-N 3.26Å; G89-H91 PolarHBondContact O-N 2.92Å; H91-T93 VanDerWaalsContact C-N 3.27Å; H91-T93 PolarHBondContact O-N 3.21Å; H91-F102 HydrophobicContact CB-CZ 4.09Å; H91-L344 HydrophobicContact CB-CD1 4.4Å; H91-L344 HydrophobicContact CB-CD2 3.97Å
92	K	85.3	Confident	81.3	Confident	129 Å²	129	62.2 Å²	62.2	56%	0.561	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.9	-14.4	-179.8	-60.6	-176.8	179.4	174.1	0	113.2	E40 G89 K90 K94	E40-K92 WeakPolarHBondContact OE1-CE 3.49Å; E40-K92 IonicContact OE1-NZ 3.83Å; E40-K92 IonicContact OE2-NZ 3.28Å; E40-K92 PolarHBondContact OE2-NZ 3.12Å; G89-K92 WeakPolarHBondContact O-CB 3.29Å; G89-K92 PolarHBondContact O-N 3.43Å; G89-K92 VanDerWaalsContact O-N 3.14Å; K90-K92 VanDerWaalsContact C-N 3.25Å; K90-K92 PolarHBondContact O-N 3.27Å; K92-K94 PolarHBondContact O-N 2.95Å
93	T	72.4	Confident	81.2	Confident	124 Å²	124	62.9 Å²	62.9	76%	0.761	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-73.4	-12.5	-175.9	-32.4	0	0	0	0	113.2	K90 H91	K90-T93 PolarHBondContact O-N 3.42Å; K90-T93 PolarHBondContact O-OG1 3.27Å; H91-T93 VanDerWaalsContact C-N 3.27Å; H91-T93 PolarHBondContact O-N 3.21Å
94	K	59.4	Low	81.1	Confident	78 Å²	78	63.5 Å²	63.5	34%	0.339	35%	0.352	S	S	.	.			trans	-94.2	119.7	-172.3	-139.6	173.9	-169.1	168.2	0	112.2	K92 K96 Q343 A346	K92-K94 PolarHBondContact O-N 2.95Å; K94-K96 PolarHBondContact O-N 3.28Å; K94-K96 VanDerWaalsContact O-N 3.1Å; K94-Q343 PolarHBondContact NZ-O 2.71Å; K94-Q343 VanDerWaalsContact NZ-O 3.17Å; K94-A346 VanDerWaalsContact CE-O 3.26Å; K94-A346 WeakPolarHBondContact CE-O 3.41Å; K94-A346 PolarHBondContact NZ-O 2.69Å
95	K	51.2	Low	81.1	Confident	220 Å²	220	63.8 Å²	63.8	96%	0.957	35%	0.354	S	S	*	.	S	Bend	trans	-68.5	6.6	167.5	-84.5	-177.2	176.4	177.7	0	114.5
96	K	49.3	Very low	81.1	Confident	161 Å²	161	65.2 Å²	65.2	70%	0.7	36%	0.359	S	S	*	.			trans	-130.7	77.5	-179.4	-73.3	-177.4	177.2	179	0	109.3	K94 T98	K94-K96 PolarHBondContact O-N 3.28Å; K94-K96 VanDerWaalsContact O-N 3.1Å; K96-T98 PolarHBondContact O-N 3.4Å
97	S	52.6	Low	81.3	Confident	107 Å²	107	66.3 Å²	66.3	75%	0.748	36%	0.363	S	S	*	.			trans	-73.6	-10.5	175.5	54	0	0	0	0	113.4	G99	S97-G99 VanDerWaalsContact C-N 3.31Å; S97-G99 PolarHBondContact O-N 3.38Å
98	T	52.6	Low	81.4	Confident	139 Å²	139	65.6 Å²	65.6	85%	0.853	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	25.2	-169.5	48.9	0	0	0	0	115.3	K96	K96-T98 PolarHBondContact O-N 3.4Å
99	G	66.3	Low	81.6	Confident	70 Å²	70	64.7 Å²	64.7	72%	0.722	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.9	17	179.5	0	0	0	0	0	116.5	S97 N101	S97-G99 VanDerWaalsContact C-N 3.31Å; S97-G99 PolarHBondContact O-N 3.38Å; G99-N101 PolarHBondContact O-N 3.14Å
100	L	84.8	Confident	81.9	Confident	45 Å²	45	65.5 Å²	65.5	24%	0.236	34%	0.343	C	S	.	.			trans	-85.8	113.3	179.4	-175.8	63.6	0	0	0	109.9	F102 Q343 L344	L100-F102 HydrophobicContact CD2-CD2 4.14Å; L100-F102 HydrophobicContact CD2-CE1 4.06Å; L100-F102 HydrophobicContact CD2-CE2 3.31Å; L100-F102 HydrophobicContact CD2-CZ 3.29Å; L100-F102 HydrophobicContact CG-CD2 4.16Å; L100-F102 HydrophobicContact CG-CE2 3.81Å; L100-F102 HydrophobicContact CG-CZ 4.12Å; L100-Q343 HydrophobicContact CD1-CB 3.56Å; L100-Q343 WeakPolarHBondContact CD1-O 3.48Å; L100-L344 HydrophobicContact CD1-CD2 3.84Å; L100-L344 HydrophobicContact CD2-CD2 3.42Å; L100-L344 VanDerWaalsContact CD2-CD2 3.42Å; L100-L344 HydrophobicContact CG-CD2 4.3Å
101	N	90.2	Very high	82.2	Confident	43 Å²	43	62 Å²	62	23%	0.23	33%	0.328	C	S	.	.			trans	-98.5	101.6	175.2	-169.7	-10.3	0	0	0	110.8	G99 N103 L104 H105 D331	G99-N101 PolarHBondContact O-N 3.14Å; N101-N103 PolarHBondContact O-N 3.46Å; N101-N103 WeakPolarHBondContact OD1-CB 3.45Å; N101-N103 PolarHBondContact OD1-N 3.22Å; N101-L104 HydrophobicContact CB-CG 4.47Å; N101-L104 PolarHBondContact O-N 3.38Å; N101-L104 VanDerWaalsContact O-N 3.12Å; N101-H105 PolarHBondContact O-N 2.56Å; N101-D331 PolarHBondContact ND2-OD2 3.38Å
102	F	94.5	Very high	82.7	Confident	12 Å²	12	61 Å²	61	5%	0.053	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-68.3	-19.1	177.9	-77.9	-81.1	0	0	0	113.6	H44 Y45 I86 H91 L100 L104 H105	H44-F102 HydrophobicContact CB-CD2 3.79Å; H44-F102 HydrophobicContact CB-CE2 3.95Å; H44-F102 HydrophobicContact CB-CG 4.15Å; H44-F102 HydrophobicContact CB-CZ 4.42Å; H44-F102 AromaticContact CD2-CD2 3.65Å; H44-F102 AromaticContact CD2-CE2 3.15Å; H44-F102 WeakPolarHBondContact CD2-CE2 3.32Å; H44-F102 AromaticContact CD2-CZ 3.92Å; H44-F102 AromaticContact CG-CE2 3.73Å; H44-F102 AromaticContact NE2-CE2 3.99Å; Y45-F102 HydrophobicContact CD1-CB 4.33Å; Y45-F102 HydrophobicContact CD2-CD1 4.46Å; Y45-F102 HydrophobicContact CE1-CB 4.16Å; Y45-F102 WeakPolarHBondContact CE1-O 3.26Å; Y45-F102 HydrophobicContact CE2-CB 4.42Å; Y45-F102 AromaticContact CE2-CD1 3.73Å; Y45-F102 HydrophobicContact CE2-CD1 3.73Å; Y45-F102 HydrophobicContact CE2-CE1 4.39Å; Y45-F102 HydrophobicContact CE2-CG 4.37Å; Y45-F102 AromaticContact CZ-CD1 3.81Å; I86-F102 HydrophobicContact CD1-CD1 4.4Å; I86-F102 HydrophobicContact CD1-CE1 3.9Å; I86-F102 HydrophobicContact CD1-CZ 4.18Å; I86-F102 HydrophobicContact CG1-CE1 3.99Å; I86-F102 HydrophobicContact CG1-CZ 4.28Å; H91-F102 HydrophobicContact CB-CZ 4.09Å; L100-F102 HydrophobicContact CD2-CD2 4.14Å; L100-F102 HydrophobicContact CD2-CE1 4.06Å; L100-F102 HydrophobicContact CD2-CE2 3.31Å; L100-F102 HydrophobicContact CD2-CZ 3.29Å; L100-F102 HydrophobicContact CG-CD2 4.16Å; L100-F102 HydrophobicContact CG-CE2 3.81Å; L100-F102 HydrophobicContact CG-CZ 4.12Å; F102-L104 PolarHBondContact O-N 2.93Å; F102-H105 HydrophobicContact CD1-CB 4.17Å; F102-H105 AromaticContact CD1-CD2 4Å; F102-H105 PolarHBondContact O-N 2.96Å
103	N	95.9	Very high	83.3	Confident	14 Å²	14	55 Å²	55	8%	0.075	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.3	170.9	-64.2	-19.1	0	0	0	111.1	N101 R107 I328 D331	N101-N103 PolarHBondContact O-N 3.46Å; N101-N103 WeakPolarHBondContact OD1-CB 3.45Å; N101-N103 PolarHBondContact OD1-N 3.22Å; N103-R107 WeakPolarHBondContact O-CD 3.2Å; N103-R107 PolarHBondContact O-NE 3.37Å; N103-I328 HydrophobicContact CB-CG1 3.95Å; N103-D331 PolarHBondContact ND2-OD2 3.37Å
104	L	96.1	Very high	84.6	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-103.6	-5.6	-177.1	-55.3	-176.5	0	0	0	113.6	N101 F102 W106 R107 D331 H332 N335 Q343	N101-L104 HydrophobicContact CB-CG 4.47Å; N101-L104 PolarHBondContact O-N 3.38Å; N101-L104 VanDerWaalsContact O-N 3.12Å; F102-L104 PolarHBondContact O-N 2.93Å; L104-W106 PolarHBondContact O-N 3.26Å; L104-R107 PolarHBondContact O-N 3.07Å; L104-D331 HydrophobicContact CD1-CB 4.44Å; L104-D331 HydrophobicContact CD2-CB 4Å; L104-D331 HydrophobicContact CG-CB 4.3Å; L104-H332 HydrophobicContact CD2-CB 3.96Å; L104-N335 HydrophobicContact CD1-CB 3.87Å; L104-Q343 HydrophobicContact CB-CG 4.19Å
105	H	96.7	Very high	86.5	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.032	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	114.2	-178.5	-175.2	45.7	0	0	0	111	Y45 D85 N101 F102 R107 D342 Q343 L344	Y45-H105 PolarHBondContact OH-CD2 2.83Å; D85-H105 IonicContact OD2-CE1 2.71Å; D85-H105 IonicContact OD2-NE2 3.75Å; D85-H105 PolarHBondContact OD2-NE2 2.9Å; D85-H105 VanDerWaalsContact OD2-NE2 3.08Å; N101-H105 PolarHBondContact O-N 2.56Å; F102-H105 HydrophobicContact CD1-CB 4.17Å; F102-H105 AromaticContact CD1-CD2 4Å; F102-H105 PolarHBondContact O-N 2.96Å; H105-R107 PolarHBondContact O-N 3.41Å; H105-D342 IonicContact CE1-OD1 3.96Å; H105-D342 PolarHBondContact CE1-OD1 3.44Å; H105-D342 IonicContact ND1-OD1 3.64Å; H105-Q343 HydrophobicContact CB-CB 4.15Å; H105-Q343 HydrophobicContact CB-CG 4.01Å; H105-Q343 PolarHBondContact ND1-N 3.07Å; H105-L344 WeakPolarHBondContact NE2-CD1 3.38Å
106	W	97.8	Very high	88.8	Confident	33 Å²	33	35.4 Å²	35.4	13%	0.125	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	23.9	-172.4	-63.9	106.9	0	0	0	114.7	V81 D85 L104 F108 T117 I120 I341 D342	V81-W106 HydrophobicContact CB-CD2 4.1Å; V81-W106 HydrophobicContact CB-CG 3.98Å; V81-W106 HydrophobicContact CG1-CD2 4.3Å; V81-W106 HydrophobicContact CG1-CZ2 3.96Å; V81-W106 HydrophobicContact CG2-CB 4.31Å; V81-W106 HydrophobicContact CG2-CD2 4.16Å; V81-W106 HydrophobicContact CG2-CG 3.93Å; D85-W106 PolarHBondContact OD2-NE1 2.79Å; L104-W106 PolarHBondContact O-N 3.26Å; W106-F108 WeakPolarHBondContact O-CD2 3.34Å; W106-F108 PolarHBondContact O-N 3.06Å; W106-T117 HydrophobicContact CB-CG2 4.05Å; W106-T117 WeakPolarHBondContact O-CB 3.33Å; W106-T117 PolarHBondContact O-OG1 3.3Å; W106-I120 HydrophobicContact CE3-CD1 4.41Å; W106-I120 HydrophobicContact CE3-CG2 3.91Å; W106-I120 HydrophobicContact CH2-CD1 3.63Å; W106-I120 HydrophobicContact CZ2-CD1 4.23Å; W106-I120 HydrophobicContact CZ3-CD1 3.73Å; W106-I120 HydrophobicContact CZ3-CG2 4.15Å; W106-I341 HydrophobicContact CE3-CD1 3.61Å; W106-I341 HydrophobicContact CE3-CG1 3.64Å; W106-I341 HydrophobicContact CZ3-CD1 3.95Å; W106-I341 HydrophobicContact CZ3-CG1 3.87Å; W106-I341 PolarHBondContact N-O 2.89Å; W106-D342 HydrophobicContact CD2-CB 4.44Å; W106-D342 HydrophobicContact CH2-CB 3.82Å; W106-D342 HydrophobicContact CZ2-CB 3.52Å; W106-D342 WeakPolarHBondContact CZ2-OD2 3.27Å; W106-D342 HydrophobicContact CZ3-CB 4.39Å
107	R	98.4	Very high	91.1	Very high	22 Å²	22	28 Å²	28	8%	0.083	17%	0.171	C	C	.	.			trans	-80.1	111	170.8	-173.8	166.9	-67.2	-74.4	-4.5	109.2	N103 L104 H105 D111 P112 F115 I328 H332 I341	N103-R107 WeakPolarHBondContact O-CD 3.2Å; N103-R107 PolarHBondContact O-NE 3.37Å; L104-R107 PolarHBondContact O-N 3.07Å; H105-R107 PolarHBondContact O-N 3.41Å; R107-D111 HydrophobicContact CG-CB 3.9Å; R107-D111 PolarHBondContact NH1-O 3.38Å; R107-P112 PolarHBondContact NH1-O 3.3Å; R107-F115 PolarHBondContact NH1-O 3.31Å; R107-F115 PolarHBondContact NH2-O 3.34Å; R107-I328 VanDerWaalsContact CZ-CG2 3.42Å; R107-H332 VanDerWaalsContact CD-CG 3.5Å; R107-H332 WeakPolarHBondContact CD-ND1 3.28Å; R107-I341 WeakPolarHBondContact O-CG2 3.49Å
108	F	98.4	Very high	93.3	Very high	4 Å²	4	23 Å²	23	2%	0.018	14%	0.135	C	C	.	.			trans	-77.9	163.9	176.5	-71	-101.2	0	0	0	111.2	W106 Y110 D111 T117 I120 Q126 H128 A148 H332 I341	W106-F108 WeakPolarHBondContact O-CD2 3.34Å; W106-F108 PolarHBondContact O-N 3.06Å; F108-Y110 PolarHBondContact O-N 2.91Å; F108-D111 WeakPolarHBondContact CB-OD2 3.47Å; F108-D111 PolarHBondContact N-OD2 3.36Å; F108-D111 WeakPolarHBondContact O-CB 3.11Å; F108-D111 PolarHBondContact O-N 3.49Å; F108-T117 HydrophobicContact CE2-CG2 4.07Å; F108-I120 HydrophobicContact CE2-CG2 3.91Å; F108-I120 HydrophobicContact CZ-CG2 3.8Å; F108-Q126 HydrophobicContact CD1-CB 3.84Å; F108-Q126 HydrophobicContact CD1-CG 4.15Å; F108-Q126 HydrophobicContact CE1-CB 3.61Å; F108-Q126 HydrophobicContact CE1-CG 3.8Å; F108-H128 AromaticContact CD1-ND1 3.86Å; F108-H128 HydrophobicContact CD2-CB 4.2Å; F108-H128 AromaticContact CD2-CD2 3.64Å; F108-H128 AromaticContact CD2-CE1 3.71Å; F108-H128 AromaticContact CD2-CG 3.52Å; F108-H128 AromaticContact CD2-ND1 3.56Å; F108-H128 AromaticContact CD2-NE2 3.81Å; F108-H128 HydrophobicContact CE2-CB 3.61Å; F108-H128 AromaticContact CE2-CD2 3.94Å; F108-H128 AromaticContact CE2-CG 3.45Å; F108-H128 VanDerWaalsContact CE2-CG 3.45Å; F108-H128 AromaticContact CE2-ND1 3.74Å; F108-H128 AromaticContact CG-CE1 3.6Å; F108-H128 AromaticContact CG-ND1 3.63Å; F108-H128 HydrophobicContact CZ-CB 3.91Å; F108-H128 AromaticContact CZ-CG 3.94Å; F108-H128 AromaticContact CZ-ND1 3.94Å; F108-A148 HydrophobicContact CB-CB 3.93Å; F108-A148 HydrophobicContact CD1-CB 3.94Å; F108-A148 HydrophobicContact CG-CB 4.31Å; F108-H332 PolarHBondContact O-CE1 3.05Å; F108-H332 VanDerWaalsContact O-CE1 3.26Å; F108-H332 PolarHBondContact O-NE2 3.47Å; F108-I341 HydrophobicContact CD1-CD1 3.58Å; F108-I341 HydrophobicContact CD2-CD1 3.86Å; F108-I341 HydrophobicContact CE1-CD1 3.25Å; F108-I341 HydrophobicContact CE2-CD1 3.55Å; F108-I341 HydrophobicContact CG-CD1 3.88Å; F108-I341 HydrophobicContact CZ-CD1 3.24Å
109	Y	98.4	Very high	95.5	Very high	19 Å²	19	16.3 Å²	16.3	8%	0.075	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.6	-173.3	-168.6	-96.8	0	0	0	113.8	G301 R336 K338	Y109-G301 WeakPolarHBondContact CE1-O 3.28Å; Y109-G301 PolarHBondContact OH-O 2.75Å; Y109-R336 HydrophobicContact CD2-CG 3.84Å; Y109-R336 HydrophobicContact CE2-CG 3.81Å; Y109-R336 PolarHBondContact O-NE 3.34Å; Y109-R336 PolarHBondContact O-NH2 3.3Å; Y109-K338 HydrophobicContact CD2-CD 4.39Å; Y109-K338 HydrophobicContact CD2-CG 3.53Å; Y109-K338 HydrophobicContact CE2-CG 4.01Å; Y109-K338 HydrophobicContact CG-CG 4.06Å
110	Y	98.6	Very high	97.1	Very high	41 Å²	41	13.2 Å²	13.2	16%	0.161	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	10.9	-177.7	-66.6	-67	0	0	0	113.9	F108 P112 A148 C152 C299	F108-Y110 PolarHBondContact O-N 2.91Å; Y110-P112 WeakPolarHBondContact O-CD 3.05Å; Y110-A148 HydrophobicContact CD2-CB 4.44Å; Y110-A148 WeakPolarHBondContact CD2-O 3.48Å; Y110-A148 VanDerWaalsContact CE2-O 3.3Å; Y110-A148 WeakPolarHBondContact CE2-O 3.3Å; Y110-C152 HydrophobicContact CD1-CB 3.54Å; Y110-C152 HydrophobicContact CD2-CB 4.49Å; Y110-C152 HydrophobicContact CE1-CB 4.07Å; Y110-C152 HydrophobicContact CG-CB 3.78Å; Y110-C299 VanDerWaalsContact CE1-O 3.27Å; Y110-C299 WeakPolarHBondContact CE1-O 3.12Å
111	D	98.8	Very high	97.7	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.055	C	C	.	.			trans	-78.5	108.7	180	-67.9	0.4	0	0	0	109.5	R107 F108 F115 T117 H128 F298	R107-D111 HydrophobicContact CG-CB 3.9Å; R107-D111 PolarHBondContact NH1-O 3.38Å; F108-D111 WeakPolarHBondContact CB-OD2 3.47Å; F108-D111 PolarHBondContact N-OD2 3.36Å; F108-D111 WeakPolarHBondContact O-CB 3.11Å; F108-D111 PolarHBondContact O-N 3.49Å; D111-F115 HydrophobicContact CB-CB 4.45Å; D111-F115 HydrophobicContact CB-CD1 4.01Å; D111-T117 PolarHBondContact OD2-OG1 3.17Å; D111-T117 VanDerWaalsContact OD2-OG1 3.09Å; D111-H128 IonicContact OD1-CE1 2.69Å; D111-H128 IonicContact OD1-NE2 2.93Å; D111-H128 PolarHBondContact OD1-NE2 3.45Å; D111-H128 IonicContact OD2-NE2 2.69Å; D111-F298 WeakPolarHBondContact O-CZ 3.44Å
112	P	98.9	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.			trans	-69.1	164.3	174.2	37.4	-40.8	0	0	0	109.7	R107 Y110 E114 F115 F132 I154 M295 F298	R107-P112 PolarHBondContact NH1-O 3.3Å; Y110-P112 WeakPolarHBondContact O-CD 3.05Å; P112-E114 WeakPolarHBondContact CB-OE2 3.46Å; P112-E114 PolarHBondContact O-N 3.49Å; P112-E114 VanDerWaalsContact O-N 3.1Å; P112-F115 HydrophobicContact CG-CB 3.99Å; P112-F115 WeakPolarHBondContact O-CB 3.45Å; P112-F115 PolarHBondContact O-N 3.36Å; P112-F132 HydrophobicContact CG-CE2 4.37Å; P112-I154 HydrophobicContact CG-CD1 3.82Å; P112-M295 HydrophobicContact CB-CE 3.64Å; P112-M295 HydrophobicContact CB-SD 3.6Å; P112-F298 HydrophobicContact CB-CE1 4.27Å
113	P	98.9	Very high	98	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.019	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.3	-179.3	-29.7	38.4	0	0	0	114.8	F115 Y317 F325 I328 I329	P113-F115 PolarHBondContact O-N 3.04Å; P113-Y317 HydrophobicContact CB-CE2 4.4Å; P113-Y317 HydrophobicContact CG-CE2 3.81Å; P113-F325 HydrophobicContact CB-CB 3.62Å; P113-F325 HydrophobicContact CB-CD1 3.89Å; P113-F325 HydrophobicContact CB-CD2 4.43Å; P113-F325 HydrophobicContact CB-CG 3.74Å; P113-F325 HydrophobicContact CG-CB 4.42Å; P113-I328 HydrophobicContact CB-CB 4.17Å; P113-I328 HydrophobicContact CB-CG2 3.93Å; P113-I328 HydrophobicContact CG-CG2 4.18Å; P113-I329 HydrophobicContact CG-CB 3.76Å; P113-I329 HydrophobicContact CG-CD1 4.24Å; P113-I329 HydrophobicContact CG-CG1 4.4Å
114	E	98.9	Very high	97.9	Very high	3 Å²	3	25 Å²	25	1%	0.014	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.8	176.1	-66.5	80	-177.1	0	0	113	P112 F132 R133 Y317 F325	P112-E114 WeakPolarHBondContact CB-OE2 3.46Å; P112-E114 PolarHBondContact O-N 3.49Å; P112-E114 VanDerWaalsContact O-N 3.1Å; E114-F132 HydrophobicContact CB-CD1 4.34Å; E114-F132 HydrophobicContact CB-CD2 4.2Å; E114-F132 HydrophobicContact CB-CE1 3.91Å; E114-F132 HydrophobicContact CB-CE2 3.77Å; E114-F132 HydrophobicContact CB-CG 4.47Å; E114-F132 HydrophobicContact CB-CZ 3.61Å; E114-F132 HydrophobicContact CG-CE1 4.22Å; E114-F132 HydrophobicContact CG-CZ 3.99Å; E114-F132 CarbonylContact O-C 3.51Å; E114-F132 WeakPolarHBondContact O-CA 3.34Å; E114-R133 WeakPolarHBondContact CA-O 3.47Å; E114-R133 WeakPolarHBondContact CB-O 3.36Å; E114-R133 WeakPolarHBondContact CG-O 3.22Å; E114-R133 PolarHBondContact O-N 3.43Å; E114-Y317 VanDerWaalsContact OE1-CE1 3.25Å; E114-Y317 WeakPolarHBondContact OE1-CE1 3.35Å; E114-Y317 PolarHBondContact OE1-OH 3.22Å; E114-Y317 PolarHBondContact OE2-OH 3.03Å; E114-Y317 VanDerWaalsContact OE2-OH 3.06Å; E114-F325 HydrophobicContact CG-CD2 4.38Å; E114-F325 HydrophobicContact CG-CE2 3.86Å; E114-F325 HydrophobicContact CG-CZ 4.4Å
115	F	98.9	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.2	-174	-168.1	-84.4	0	0	0	110.9	R107 D111 P112 P113 H128 Y131 F132 I154	R107-F115 PolarHBondContact NH1-O 3.31Å; R107-F115 PolarHBondContact NH2-O 3.34Å; D111-F115 HydrophobicContact CB-CB 4.45Å; D111-F115 HydrophobicContact CB-CD1 4.01Å; P112-F115 HydrophobicContact CG-CB 3.99Å; P112-F115 WeakPolarHBondContact O-CB 3.45Å; P112-F115 PolarHBondContact O-N 3.36Å; P113-F115 PolarHBondContact O-N 3.04Å; F115-H128 AromaticContact CE1-CD2 3.46Å; F115-H128 VanDerWaalsContact CE1-CD2 3.46Å; F115-H128 WeakPolarHBondContact CE1-CD2 3.08Å; F115-H128 AromaticContact CE1-NE2 3.5Å; F115-H128 WeakPolarHBondContact CE1-NE2 3.25Å; F115-H128 AromaticContact CZ-CD2 3.78Å; F115-H128 AromaticContact CZ-NE2 3.83Å; F115-Y131 WeakPolarHBondContact CA-O 3.26Å; F115-F132 HydrophobicContact CB-CD2 4.47Å; F115-F132 HydrophobicContact CD2-CD2 4.23Å; F115-I154 HydrophobicContact CD2-CD1 4.12Å; F115-I154 HydrophobicContact CD2-CG2 4.14Å; F115-I154 HydrophobicContact CE2-CG2 4.05Å
116	Q	98.8	Very high	98	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.8	177	-176.9	-172.8	35.2	0	0	109.7	G130 Y131 R133	Q116-G130 CarbonylContact O-C 3.6Å; Q116-G130 WeakPolarHBondContact O-CA 3.13Å; Q116-Y131 PolarHBondContact N-O 2.78Å; Q116-Y131 PolarHBondContact O-N 2.66Å; Q116-R133 VanDerWaalsContact OE1-NH2 3.08Å
117	T	98.9	Very high	98.1	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	134.9	178	-61.9	0	0	0	0	112.1	V81 W106 F108 D111 I120 H128	V81-T117 HydrophobicContact CG2-CG2 3.97Å; W106-T117 HydrophobicContact CB-CG2 4.05Å; W106-T117 WeakPolarHBondContact O-CB 3.33Å; W106-T117 PolarHBondContact O-OG1 3.3Å; F108-T117 HydrophobicContact CE2-CG2 4.07Å; D111-T117 PolarHBondContact OD2-OG1 3.17Å; D111-T117 VanDerWaalsContact OD2-OG1 3.09Å; T117-I120 HydrophobicContact CG2-CG2 4.27Å; T117-H128 HydrophobicContact CG2-CB 4.28Å
118	I	98.9	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-22.6	177.2	58.1	168.5	0	0	0	113.1	V81 P83 Y84 M129 Y131 V161	V81-I118 PolarHBondContact N-O 3.4Å; P83-I118 HydrophobicContact CG-CG2 3.87Å; Y84-I118 HydrophobicContact CD2-CB 4.27Å; Y84-I118 VanDerWaalsContact CD2-O 3.29Å; Y84-I118 WeakPolarHBondContact CD2-O 3.25Å; Y84-I118 HydrophobicContact CE2-CB 3.96Å; I118-M129 PolarHBondContact N-O 3.39Å; I118-Y131 HydrophobicContact CD1-CD2 3.93Å; I118-Y131 HydrophobicContact CD1-CE1 4.33Å; I118-Y131 HydrophobicContact CD1-CE2 3.66Å; I118-Y131 HydrophobicContact CD1-CG 4.34Å; I118-Y131 HydrophobicContact CG2-CD2 3.63Å; I118-Y131 HydrophobicContact CG2-CE2 3.92Å; I118-V161 HydrophobicContact CD1-CB 4.19Å; I118-V161 HydrophobicContact CD1-CG2 3.91Å
119	I	98.9	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.4	180	-65.1	175.7	0	0	0	109	F56 L78 Q79 H128 M129 V161 V165	F56-I119 HydrophobicContact CE1-CD1 4.28Å; L78-I119 HydrophobicContact CB-CG2 4Å; L78-I119 HydrophobicContact CD1-CG2 4.35Å; L78-I119 HydrophobicContact CD2-CG2 4.06Å; L78-I119 HydrophobicContact CG-CG2 4.36Å; Q79-I119 CarbonylContact O-C 3.58Å; Q79-I119 VanDerWaalsContact O-CA 3.29Å; Q79-I119 WeakPolarHBondContact O-CA 3.35Å; I119-H128 CarbonylContact O-C 3.4Å; I119-H128 VanDerWaalsContact O-CA 3.26Å; I119-H128 WeakPolarHBondContact O-CA 3.35Å; I119-H128 WeakPolarHBondContact O-CB 3.34Å; I119-M129 HydrophobicContact CB-CB 4.19Å; I119-M129 HydrophobicContact CB-CG 4.19Å; I119-M129 HydrophobicContact CD1-SD 4.38Å; I119-M129 HydrophobicContact CG2-CG 4.34Å; I119-M129 PolarHBondContact N-O 3.43Å; I119-M129 VanDerWaalsContact N-O 3.14Å; I119-M129 PolarHBondContact O-N 3.1Å; I119-V161 HydrophobicContact CD1-CG2 3.71Å; I119-V165 HydrophobicContact CD1-CG2 3.6Å
120	I	98.6	Very high	98.1	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	154.7	168.9	59.4	174.2	0	0	0	111.1	L78 Q79 V81 W106 F108 T117 H128	L78-I120 CarbonylContact C-O 3.59Å; L78-I120 VanDerWaalsContact CA-O 3.28Å; L78-I120 WeakPolarHBondContact CA-O 3.43Å; Q79-I120 HydrophobicContact CB-CD1 4.33Å; Q79-I120 HydrophobicContact CB-CG1 3.87Å; Q79-I120 PolarHBondContact N-O 3.08Å; Q79-I120 PolarHBondContact O-N 2.83Å; V81-I120 HydrophobicContact CG1-CD1 3.81Å; V81-I120 HydrophobicContact CG1-CG1 3.8Å; V81-I120 HydrophobicContact CG2-CG1 4.43Å; V81-I120 HydrophobicContact CG2-CG2 3.78Å; W106-I120 HydrophobicContact CE3-CD1 4.41Å; W106-I120 HydrophobicContact CE3-CG2 3.91Å; W106-I120 HydrophobicContact CH2-CD1 3.63Å; W106-I120 HydrophobicContact CZ2-CD1 4.23Å; W106-I120 HydrophobicContact CZ3-CD1 3.73Å; W106-I120 HydrophobicContact CZ3-CG2 4.15Å; F108-I120 HydrophobicContact CE2-CG2 3.91Å; F108-I120 HydrophobicContact CZ-CG2 3.8Å; T117-I120 HydrophobicContact CG2-CG2 4.27Å; I120-H128 HydrophobicContact CG2-CB 4.17Å
121	G	97.9	Very high	98.1	Very high	10 Å²	10	21.7 Å²	21.7	10%	0.103	11%	0.108	C	C	.	.			trans	-132.7	-123.4	176.5	0	0	0	0	0	112.9	G77 N123 Y127	G77-G121 WeakPolarHBondContact O-CA 3.32Å; G121-N123 PolarHBondContact O-N 3.02Å; G121-N123 PolarHBondContact O-OD1 3.09Å; G121-Y127 PolarHBondContact N-O 2.97Å
122	D	96.1	Very high	98.2	Very high	81 Å²	81	21.7 Å²	21.7	43%	0.433	11%	0.108	S	C	.	.			trans	-65.2	108	-176.8	-177.1	12.2	0	0	0	112.6	K124 T125 Q126 Y127	D122-K124 PolarHBondContact O-N 3.17Å; D122-K124 VanDerWaalsContact OD1-CB 3.3Å; D122-K124 WeakPolarHBondContact OD1-CB 3.49Å; D122-K124 WeakPolarHBondContact OD1-CG 3.41Å; D122-K124 PolarHBondContact OD1-N 3.1Å; D122-T125 PolarHBondContact O-N 3.18Å; D122-T125 PolarHBondContact O-OG1 2.82Å; D122-Q126 WeakPolarHBondContact O-CA 3.21Å; D122-Q126 PolarHBondContact O-N 3.49Å; D122-Y127 PolarHBondContact O-N 3.48Å
123	N	94.1	Very high	98.1	Very high	97 Å²	97	21.7 Å²	21.7	52%	0.519	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.1	177.1	-68.4	-17.7	0	0	0	114	G121 K149	G121-N123 PolarHBondContact O-N 3.02Å; G121-N123 PolarHBondContact O-OD1 3.09Å; N123-K149 PolarHBondContact O-NZ 2.89Å
124	K	95.7	Very high	98.1	Very high	172 Å²	172	22 Å²	22	75%	0.748	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-37.7	176.4	-64.7	179.8	-179.1	178.8	0	111.6	D122 K149	D122-K124 PolarHBondContact O-N 3.17Å; D122-K124 VanDerWaalsContact OD1-CB 3.3Å; D122-K124 WeakPolarHBondContact OD1-CB 3.49Å; D122-K124 WeakPolarHBondContact OD1-CG 3.41Å; D122-K124 PolarHBondContact OD1-N 3.1Å; K124-K149 WeakPolarHBondContact O-CD 3.38Å
125	T	96.9	Very high	98.1	Very high	22 Å²	22	22.4 Å²	22.4	14%	0.135	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-8.4	175	67.3	0	0	0	0	112.6	D122 Y127 E147 A148 K149 K150	D122-T125 PolarHBondContact O-N 3.18Å; D122-T125 PolarHBondContact O-OG1 2.82Å; T125-Y127 PolarHBondContact OG1-N 3.24Å; T125-E147 WeakPolarHBondContact CB-OE1 3.45Å; T125-E147 WeakPolarHBondContact CG2-OE1 3.28Å; T125-E147 CarbonylContact O-C 3.44Å; T125-E147 VanDerWaalsContact O-C 3.26Å; T125-E147 WeakPolarHBondContact O-CA 3.37Å; T125-E147 PolarHBondContact OG1-OE1 3.01Å; T125-A148 PolarHBondContact O-N 3.03Å; T125-K149 PolarHBondContact O-N 2.92Å; T125-K149 VanDerWaalsContact O-N 3.12Å; T125-K150 VanDerWaalsContact CG2-CE 3.49Å
126	Q	97.6	Very high	98.1	Very high	22 Å²	22	22.9 Å²	22.9	10%	0.103	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.3	-167.8	-74.7	-178	-23.9	0	0	110.5	F108 D122 H128 A148 K149 K338	F108-Q126 HydrophobicContact CD1-CB 3.84Å; F108-Q126 HydrophobicContact CD1-CG 4.15Å; F108-Q126 HydrophobicContact CE1-CB 3.61Å; F108-Q126 HydrophobicContact CE1-CG 3.8Å; D122-Q126 WeakPolarHBondContact O-CA 3.21Å; D122-Q126 PolarHBondContact O-N 3.49Å; Q126-H128 PolarHBondContact O-N 3.49Å; Q126-H128 PolarHBondContact O-ND1 2.89Å; Q126-A148 HydrophobicContact CB-CB 3.94Å; Q126-A148 PolarHBondContact O-N 3.29Å; Q126-K149 HydrophobicContact CB-CD 4.48Å; Q126-K149 HydrophobicContact CB-CG 4.22Å; Q126-K149 HydrophobicContact CG-CD 3.88Å; Q126-K149 HydrophobicContact CG-CG 3.94Å; Q126-K338 PolarHBondContact NE2-O 2.96Å
127	Y	98.6	Very high	98.1	Very high	23 Å²	23	29.3 Å²	29.3	9%	0.09	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130.2	171.7	179.8	-86.5	0	0	0	109.6	L78 G121 D122 T125 M129 I145 N146 E147 F168	L78-Y127 HydrophobicContact CD2-CE1 4.36Å; G121-Y127 PolarHBondContact N-O 2.97Å; D122-Y127 PolarHBondContact O-N 3.48Å; T125-Y127 PolarHBondContact OG1-N 3.24Å; Y127-M129 HydrophobicContact CE1-CE 3.74Å; Y127-M129 HydrophobicContact CE1-CG 3.99Å; Y127-M129 WeakPolarHBondContact OH-CE 3.31Å; Y127-I145 HydrophobicContact CE2-CB 4.17Å; Y127-I145 HydrophobicContact CE2-CD1 4.03Å; Y127-I145 WeakPolarHBondContact OH-CG2 3.35Å; Y127-N146 WeakPolarHBondContact CA-O 3.26Å; Y127-E147 HydrophobicContact CD2-CG 3.75Å; Y127-E147 HydrophobicContact CG-CG 4.44Å; Y127-F168 HydrophobicContact CD1-CE2 4.14Å; Y127-F168 AromaticContact CE1-CD2 3.73Å; Y127-F168 HydrophobicContact CE1-CD2 3.73Å; Y127-F168 AromaticContact CE1-CE2 3.63Å; Y127-F168 HydrophobicContact CE1-CE2 3.63Å; Y127-F168 HydrophobicContact CE2-CD2 4.45Å; Y127-F168 HydrophobicContact CE2-CE2 4.43Å; Y127-F168 AromaticContact CZ-CD2 3.62Å; Y127-F168 AromaticContact CZ-CE2 3.81Å; Y127-F168 WeakPolarHBondContact OH-CD2 3.33Å
128	H	98.9	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.2	176.4	61.9	-80.3	0	0	0	110.7	F108 D111 F115 T117 I119 I120 Q126 I145 N146	F108-H128 AromaticContact CD1-ND1 3.86Å; F108-H128 HydrophobicContact CD2-CB 4.2Å; F108-H128 AromaticContact CD2-CD2 3.64Å; F108-H128 AromaticContact CD2-CE1 3.71Å; F108-H128 AromaticContact CD2-CG 3.52Å; F108-H128 AromaticContact CD2-ND1 3.56Å; F108-H128 AromaticContact CD2-NE2 3.81Å; F108-H128 HydrophobicContact CE2-CB 3.61Å; F108-H128 AromaticContact CE2-CD2 3.94Å; F108-H128 AromaticContact CE2-CG 3.45Å; F108-H128 VanDerWaalsContact CE2-CG 3.45Å; F108-H128 AromaticContact CE2-ND1 3.74Å; F108-H128 AromaticContact CG-CE1 3.6Å; F108-H128 AromaticContact CG-ND1 3.63Å; F108-H128 HydrophobicContact CZ-CB 3.91Å; F108-H128 AromaticContact CZ-CG 3.94Å; F108-H128 AromaticContact CZ-ND1 3.94Å; D111-H128 IonicContact OD1-CE1 2.69Å; D111-H128 IonicContact OD1-NE2 2.93Å; D111-H128 PolarHBondContact OD1-NE2 3.45Å; D111-H128 IonicContact OD2-NE2 2.69Å; F115-H128 AromaticContact CE1-CD2 3.46Å; F115-H128 VanDerWaalsContact CE1-CD2 3.46Å; F115-H128 WeakPolarHBondContact CE1-CD2 3.08Å; F115-H128 AromaticContact CE1-NE2 3.5Å; F115-H128 WeakPolarHBondContact CE1-NE2 3.25Å; F115-H128 AromaticContact CZ-CD2 3.78Å; F115-H128 AromaticContact CZ-NE2 3.83Å; T117-H128 HydrophobicContact CG2-CB 4.28Å; I119-H128 CarbonylContact O-C 3.4Å; I119-H128 VanDerWaalsContact O-CA 3.26Å; I119-H128 WeakPolarHBondContact O-CA 3.35Å; I119-H128 WeakPolarHBondContact O-CB 3.34Å; I120-H128 HydrophobicContact CG2-CB 4.17Å; Q126-H128 PolarHBondContact O-N 3.49Å; Q126-H128 PolarHBondContact O-ND1 2.89Å; H128-I145 WeakPolarHBondContact O-CA 3.4Å; H128-N146 PolarHBondContact CE1-OD1 2.86Å; H128-N146 PolarHBondContact N-O 3Å; H128-N146 PolarHBondContact ND1-O 3.03Å; H128-N146 PolarHBondContact O-N 3.37Å; H128-N146 VanDerWaalsContact O-N 3.11Å
129	M	98.9	Very high	98	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144	177.7	-37.3	-171.8	-171.9	0	0	109.8	L78 I118 I119 Y127 V143 G144 I145 A164 F168	L78-M129 HydrophobicContact CD1-CE 3.81Å; L78-M129 HydrophobicContact CD2-CE 4.21Å; I118-M129 PolarHBondContact N-O 3.39Å; I119-M129 HydrophobicContact CB-CB 4.19Å; I119-M129 HydrophobicContact CB-CG 4.19Å; I119-M129 HydrophobicContact CD1-SD 4.38Å; I119-M129 HydrophobicContact CG2-CG 4.34Å; I119-M129 PolarHBondContact N-O 3.43Å; I119-M129 VanDerWaalsContact N-O 3.14Å; I119-M129 PolarHBondContact O-N 3.1Å; Y127-M129 HydrophobicContact CE1-CE 3.74Å; Y127-M129 HydrophobicContact CE1-CG 3.99Å; Y127-M129 WeakPolarHBondContact OH-CE 3.31Å; M129-V143 HydrophobicContact CB-CG1 4.07Å; M129-G144 CarbonylContact C-O 3.55Å; M129-G144 VanDerWaalsContact CA-O 3.29Å; M129-G144 WeakPolarHBondContact CA-O 3.35Å; M129-I145 HydrophobicContact CB-CG2 4.05Å; M129-I145 HydrophobicContact CG-CG2 3.76Å; M129-I145 HydrophobicContact SD-CG2 4.33Å; M129-A164 HydrophobicContact SD-CB 3.92Å; M129-F168 HydrophobicContact CE-CB 3.69Å; M129-F168 HydrophobicContact CE-CD2 3.95Å; M129-F168 HydrophobicContact CE-CG 3.86Å
130	G	98.9	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.9	-177.9	0	0	0	0	0	112.6	Q116 V143 G144	Q116-G130 CarbonylContact O-C 3.6Å; Q116-G130 WeakPolarHBondContact O-CA 3.13Å; G130-V143 CarbonylContact O-C 3.3Å; G130-V143 WeakPolarHBondContact O-CA 3.5Å; G130-G144 PolarHBondContact N-O 3.09Å; G130-G144 PolarHBondContact O-N 3.37Å
131	Y	98.9	Very high	98	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.5	168	-78.1	-54.4	0	0	0	109.9	L49 P50 D52 F53 F115 Q116 I118 P140 V143	L49-Y131 HydrophobicContact CD2-CD2 4.07Å; L49-Y131 HydrophobicContact CD2-CE2 4.18Å; P50-Y131 HydrophobicContact CG-CD1 4.47Å; P50-Y131 HydrophobicContact CG-CE1 3.84Å; P50-Y131 HydrophobicContact CG-CE2 4.1Å; D52-Y131 PolarHBondContact OD2-OH 2.87Å; F53-Y131 WeakPolarHBondContact CA-OH 3.38Å; F53-Y131 HydrophobicContact CB-CE2 4.02Å; F53-Y131 HydrophobicContact CD2-CE2 4.11Å; F53-Y131 HydrophobicContact CG-CE2 4.46Å; F53-Y131 PolarHBondContact N-OH 3.39Å; F115-Y131 WeakPolarHBondContact CA-O 3.26Å; Q116-Y131 PolarHBondContact N-O 2.78Å; Q116-Y131 PolarHBondContact O-N 2.66Å; I118-Y131 HydrophobicContact CD1-CD2 3.93Å; I118-Y131 HydrophobicContact CD1-CE1 4.33Å; I118-Y131 HydrophobicContact CD1-CE2 3.66Å; I118-Y131 HydrophobicContact CD1-CG 4.34Å; I118-Y131 HydrophobicContact CG2-CD2 3.63Å; I118-Y131 HydrophobicContact CG2-CE2 3.92Å; Y131-P140 HydrophobicContact CD1-CB 3.48Å; Y131-P140 VanDerWaalsContact CD1-CB 3.48Å; Y131-P140 HydrophobicContact CD1-CG 3.63Å; Y131-P140 HydrophobicContact CD2-CG 4.22Å; Y131-P140 HydrophobicContact CE1-CB 4.35Å; Y131-P140 HydrophobicContact CE1-CG 4.39Å; Y131-P140 HydrophobicContact CG-CB 3.82Å; Y131-P140 HydrophobicContact CG-CG 3.54Å; Y131-V143 HydrophobicContact CD1-CG2 3.72Å; Y131-V143 HydrophobicContact CE1-CG2 3.6Å
132	F	98.9	Very high	98	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.7	174.9	-164.4	-81.7	0	0	0	109.9	P112 E114 F115 P140 V141 Y142 I154 A225	P112-F132 HydrophobicContact CG-CE2 4.37Å; E114-F132 HydrophobicContact CB-CD1 4.34Å; E114-F132 HydrophobicContact CB-CD2 4.2Å; E114-F132 HydrophobicContact CB-CE1 3.91Å; E114-F132 HydrophobicContact CB-CE2 3.77Å; E114-F132 HydrophobicContact CB-CG 4.47Å; E114-F132 HydrophobicContact CB-CZ 3.61Å; E114-F132 HydrophobicContact CG-CE1 4.22Å; E114-F132 HydrophobicContact CG-CZ 3.99Å; E114-F132 CarbonylContact O-C 3.51Å; E114-F132 WeakPolarHBondContact O-CA 3.34Å; F115-F132 HydrophobicContact CB-CD2 4.47Å; F115-F132 HydrophobicContact CD2-CD2 4.23Å; F132-P140 CarbonylContact O-C 3.59Å; F132-P140 VanDerWaalsContact O-CA 3.29Å; F132-P140 WeakPolarHBondContact O-CA 3.28Å; F132-V141 HydrophobicContact CB-CG2 4.5Å; F132-V141 HydrophobicContact CD1-CG2 3.92Å; F132-V141 WeakPolarHBondContact O-CG2 3.29Å; F132-V141 PolarHBondContact O-N 3.47Å; F132-Y142 HydrophobicContact CB-CD2 4.19Å; F132-Y142 HydrophobicContact CB-CE1 4.19Å; F132-Y142 HydrophobicContact CB-CE2 3.75Å; F132-Y142 HydrophobicContact CD1-CE1 4.03Å; F132-Y142 AromaticContact CD1-CZ 3.92Å; F132-Y142 HydrophobicContact CG-CE1 4.22Å; F132-Y142 HydrophobicContact CG-CE2 4.14Å; F132-Y142 AromaticContact CG-CZ 3.7Å; F132-Y142 WeakPolarHBondContact CG-OH 3.31Å; F132-Y142 PolarHBondContact N-O 3.03Å; F132-I154 HydrophobicContact CD2-CD1 4.44Å; F132-I154 HydrophobicContact CE2-CD1 4.14Å; F132-A225 HydrophobicContact CD2-CB 4.16Å; F132-A225 HydrophobicContact CE1-CB 4.49Å; F132-A225 HydrophobicContact CE2-CB 3.54Å; F132-A225 HydrophobicContact CZ-CB 3.74Å
133	R	98.8	Very high	98.2	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.184	C	C	.	.			trans	-121.5	126.4	178.9	-71.7	179	-173.9	80.8	-7.6	110.4	S48 E114 Q116 S135 E138 P140 F325	S48-R133 PolarHBondContact O-NE 2.72Å; S48-R133 PolarHBondContact O-NH2 3.03Å; E114-R133 WeakPolarHBondContact CA-O 3.47Å; E114-R133 WeakPolarHBondContact CB-O 3.36Å; E114-R133 WeakPolarHBondContact CG-O 3.22Å; E114-R133 PolarHBondContact O-N 3.43Å; Q116-R133 VanDerWaalsContact OE1-NH2 3.08Å; R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.49Å; R133-E138 WeakPolarHBondContact CD-O 3.47Å; R133-P140 HydrophobicContact CG-CB 4.29Å; R133-P140 HydrophobicContact CG-CG 3.99Å; R133-F325 HydrophobicContact CB-CZ 4.17Å
134	D	98.8	Very high	98.4	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.043	16%	0.159	C	C	.	.	S	Bend	trans	-71.3	-26.1	174.6	-71.6	-44.5	0	0	0	112.1	R213 V228 R322	D134-R213 IonicContact OD1-CZ 3.9Å; D134-R213 IonicContact OD1-NE 2.96Å; D134-R213 IonicContact OD1-NH2 2.84Å; D134-R213 PolarHBondContact OD1-NH2 2.95Å; D134-R213 IonicContact OD2-CZ 2.63Å; D134-R213 IonicContact OD2-NE 3.01Å; D134-R213 PolarHBondContact OD2-NE 3.2Å; D134-R213 IonicContact OD2-NH2 3.16Å; D134-V228 HydrophobicContact CB-CB 4.17Å; D134-V228 WeakPolarHBondContact OD2-CG2 3.49Å; D134-R322 PolarHBondContact O-NE 2.77Å; D134-R322 PolarHBondContact O-NH1 3.36Å; D134-R322 PolarHBondContact O-NH2 3.26Å
135	S	98.7	Very high	98.5	Very high	12 Å²	12	25 Å²	25	8%	0.084	13%	0.13	C	C	.	.	S	Bend	trans	-141.8	145.3	178.1	-178.9	0	0	0	0	110.2	R133 D137 E138	R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.49Å; S135-D137 PolarHBondContact O-N 2.97Å; S135-E138 PolarHBondContact O-N 2.6Å
136	P	98.4	Very high	98.6	Very high	11 Å²	11	24.1 Å²	24.1	7%	0.071	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.9	176.3	27.3	-35.8	0	0	0	113.3	L47 E138 R322 L324 F325	L47-P136 HydrophobicContact CD2-CB 3.74Å; L47-P136 WeakPolarHBondContact CD2-O 3.02Å; P136-E138 VanDerWaalsContact C-N 3.27Å; P136-E138 PolarHBondContact O-N 2.57Å; P136-R322 HydrophobicContact CG-CB 4.29Å; P136-L324 HydrophobicContact CB-CB 3.95Å; P136-L324 HydrophobicContact CB-CD2 3.93Å; P136-L324 HydrophobicContact CB-CG 4.44Å; P136-L324 HydrophobicContact CG-CB 4.25Å; P136-F325 HydrophobicContact CB-CD1 4.26Å; P136-F325 HydrophobicContact CB-CE1 3.93Å; P136-F325 HydrophobicContact CB-CZ 4.28Å; P136-F325 HydrophobicContact CG-CE1 4.49Å
137	D	97.9	Very high	98.7	Very high	142 Å²	142	25.5 Å²	25.5	76%	0.759	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.4	179.4	-58.7	-36.2	0	0	0	113.1	S135	S135-D137 PolarHBondContact O-N 2.97Å
138	E	98.1	Very high	98.6	Very high	104 Å²	104	24.7 Å²	24.7	49%	0.486	13%	0.13	S	C	.	.	S	Bend	trans	-109	152.6	-177.7	-67.7	-179.4	-161.6	0	0	111.7	R133 S135 P136	R133-E138 WeakPolarHBondContact CD-O 3.47Å; S135-E138 PolarHBondContact O-N 2.6Å; P136-E138 VanDerWaalsContact C-N 3.27Å; P136-E138 PolarHBondContact O-N 2.57Å
139	L	98.4	Very high	98.6	Very high	99 Å²	99	30.7 Å²	30.7	52%	0.518	16%	0.156	S	C	.	.			trans	-68.3	156.6	169.1	-70.2	178.8	0	0	0	110.9	P50 V141	P50-L139 HydrophobicContact CB-CD2 4.35Å; L139-V141 PolarHBondContact O-N 3.13Å
140	P	98.8	Very high	98.5	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.104	18%	0.181	C	C	.	.			trans	-52.9	134.3	175.5	-27.7	36.3	0	0	0	113.3	P50 Y131 F132 R133	P50-P140 HydrophobicContact CG-CG 4.08Å; Y131-P140 HydrophobicContact CD1-CB 3.48Å; Y131-P140 VanDerWaalsContact CD1-CB 3.48Å; Y131-P140 HydrophobicContact CD1-CG 3.63Å; Y131-P140 HydrophobicContact CD2-CG 4.22Å; Y131-P140 HydrophobicContact CE1-CB 4.35Å; Y131-P140 HydrophobicContact CE1-CG 4.39Å; Y131-P140 HydrophobicContact CG-CB 3.82Å; Y131-P140 HydrophobicContact CG-CG 3.54Å; F132-P140 CarbonylContact O-C 3.59Å; F132-P140 VanDerWaalsContact O-CA 3.29Å; F132-P140 WeakPolarHBondContact O-CA 3.28Å; R133-P140 HydrophobicContact CG-CB 4.29Å; R133-P140 HydrophobicContact CG-CG 3.99Å
141	V	98.6	Very high	98.5	Very high	25 Å²	25	39.6 Å²	39.6	15%	0.152	20%	0.198	C	C	.	.	S	Bend	trans	-79.5	-29.6	177.3	-71	0	0	0	0	112	F132 L139 R213	F132-V141 HydrophobicContact CB-CG2 4.5Å; F132-V141 HydrophobicContact CD1-CG2 3.92Å; F132-V141 WeakPolarHBondContact O-CG2 3.29Å; F132-V141 PolarHBondContact O-N 3.47Å; L139-V141 PolarHBondContact O-N 3.13Å; V141-R213 HydrophobicContact CB-CG 4.44Å; V141-R213 HydrophobicContact CG1-CG 4.3Å
142	Y	98.8	Very high	98.5	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	177.7	173.9	59.6	-92.7	0	0	0	111.9	F132 P156 G158 M210 A225	F132-Y142 HydrophobicContact CB-CD2 4.19Å; F132-Y142 HydrophobicContact CB-CE1 4.19Å; F132-Y142 HydrophobicContact CB-CE2 3.75Å; F132-Y142 HydrophobicContact CD1-CE1 4.03Å; F132-Y142 AromaticContact CD1-CZ 3.92Å; F132-Y142 HydrophobicContact CG-CE1 4.22Å; F132-Y142 HydrophobicContact CG-CE2 4.14Å; F132-Y142 AromaticContact CG-CZ 3.7Å; F132-Y142 WeakPolarHBondContact CG-OH 3.31Å; F132-Y142 PolarHBondContact N-O 3.03Å; Y142-P156 HydrophobicContact CD2-CB 4.08Å; Y142-P156 HydrophobicContact CE2-CB 4.17Å; Y142-P156 HydrophobicContact CE2-CG 4.23Å; Y142-G158 WeakPolarHBondContact CB-O 3.29Å; Y142-M210 HydrophobicContact CD1-CE 4.46Å; Y142-M210 HydrophobicContact CG-CE 4.02Å; Y142-A225 WeakPolarHBondContact OH-CB 3.48Å
143	V	98.9	Very high	98.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.8	168.1	-178.8	0	0	0	0	109.3	M129 G130 Y131 N157 G158 A164	M129-V143 HydrophobicContact CB-CG1 4.07Å; G130-V143 CarbonylContact O-C 3.3Å; G130-V143 WeakPolarHBondContact O-CA 3.5Å; Y131-V143 HydrophobicContact CD1-CG2 3.72Å; Y131-V143 HydrophobicContact CE1-CG2 3.6Å; V143-N157 CarbonylContact O-C 3.53Å; V143-N157 WeakPolarHBondContact O-CA 3.37Å; V143-N157 PolarHBondContact O-N 3.47Å; V143-G158 PolarHBondContact N-O 3.41Å; V143-A164 HydrophobicContact CB-CB 3.94Å; V143-A164 HydrophobicContact CG1-CB 3.61Å; V143-A164 HydrophobicContact CG2-CB 4.44Å
144	G	98.8	Very high	98.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	159.3	176.1	0	0	0	0	0	111.9	M129 G130 V155	M129-G144 CarbonylContact C-O 3.55Å; M129-G144 VanDerWaalsContact CA-O 3.29Å; M129-G144 WeakPolarHBondContact CA-O 3.35Å; G130-G144 PolarHBondContact N-O 3.09Å; G130-G144 PolarHBondContact O-N 3.37Å; G144-V155 CarbonylContact C-O 3.58Å; G144-V155 WeakPolarHBondContact CA-O 3.43Å
145	I	98.9	Very high	98.5	Very high	29 Å²	29	47 Å²	47	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.4	173.1	65.4	176.4	0	0	0	110.6	Y127 H128 M129 I154 V155 N157	Y127-I145 HydrophobicContact CE2-CB 4.17Å; Y127-I145 HydrophobicContact CE2-CD1 4.03Å; Y127-I145 WeakPolarHBondContact OH-CG2 3.35Å; H128-I145 WeakPolarHBondContact O-CA 3.4Å; M129-I145 HydrophobicContact CB-CG2 4.05Å; M129-I145 HydrophobicContact CG-CG2 3.76Å; M129-I145 HydrophobicContact SD-CG2 4.33Å; I145-I154 WeakPolarHBondContact O-CA 3.4Å; I145-V155 HydrophobicContact CD1-CB 4.31Å; I145-V155 HydrophobicContact CG1-CB 3.79Å; I145-V155 WeakPolarHBondContact CG1-O 3.37Å; I145-V155 PolarHBondContact N-O 3.39Å; I145-V155 PolarHBondContact O-N 2.85Å; I145-N157 HydrophobicContact CD1-CB 4.38Å; I145-N157 HydrophobicContact CG1-CB 4.35Å; I145-N157 HydrophobicContact CG2-CB 3.67Å
146	N	98.8	Very high	98.5	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.1	173.5	175.8	-104.2	0	0	0	110.9	Y127 H128 A148 N151 I153	Y127-N146 WeakPolarHBondContact CA-O 3.26Å; H128-N146 PolarHBondContact CE1-OD1 2.86Å; H128-N146 PolarHBondContact N-O 3Å; H128-N146 PolarHBondContact ND1-O 3.03Å; H128-N146 PolarHBondContact O-N 3.37Å; H128-N146 VanDerWaalsContact O-N 3.11Å; N146-A148 WeakPolarHBondContact OD1-CA 3.29Å; N146-A148 PolarHBondContact OD1-N 2.72Å; N146-A148 VanDerWaalsContact OD1-N 3.1Å; N146-N151 PolarHBondContact ND2-O 3.27Å; N146-I153 PolarHBondContact ND2-O 3.37Å
147	E	98.6	Very high	98.5	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.238	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	90.1	169.8	-67.3	-173	95.3	0	0	108.2	T125 Y127 K149 K150 N151	T125-E147 WeakPolarHBondContact CB-OE1 3.45Å; T125-E147 WeakPolarHBondContact CG2-OE1 3.28Å; T125-E147 CarbonylContact O-C 3.44Å; T125-E147 VanDerWaalsContact O-C 3.26Å; T125-E147 WeakPolarHBondContact O-CA 3.37Å; T125-E147 PolarHBondContact OG1-OE1 3.01Å; Y127-E147 HydrophobicContact CD2-CG 3.75Å; Y127-E147 HydrophobicContact CG-CG 4.44Å; E147-K149 PolarHBondContact O-N 3.25Å; E147-K149 VanDerWaalsContact O-N 3.07Å; E147-K150 HydrophobicContact CB-CB 4.14Å; E147-K150 HydrophobicContact CB-CD 3.98Å; E147-K150 HydrophobicContact CB-CG 4.17Å; E147-K150 HydrophobicContact CG-CD 4.46Å; E147-K150 WeakPolarHBondContact O-CA 3.45Å; E147-K150 WeakPolarHBondContact O-CB 3.44Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CE 3.49Å; E147-K150 IonicContact OE1-NZ 3.71Å; E147-K150 PolarHBondContact OE1-NZ 3.14Å; E147-K150 WeakPolarHBondContact OE2-CD 3.41Å; E147-K150 IonicContact OE2-NZ 2.68Å; E147-K150 PolarHBondContact OE2-NZ 2.89Å; E147-N151 PolarHBondContact O-N 3.43Å
148	A	97.8	Very high	98.5	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.9	-164.7	0	0	0	0	0	114.4	F108 Y110 T125 Q126 N146 K150	F108-A148 HydrophobicContact CB-CB 3.93Å; F108-A148 HydrophobicContact CD1-CB 3.94Å; F108-A148 HydrophobicContact CG-CB 4.31Å; Y110-A148 HydrophobicContact CD2-CB 4.44Å; Y110-A148 WeakPolarHBondContact CD2-O 3.48Å; Y110-A148 VanDerWaalsContact CE2-O 3.3Å; Y110-A148 WeakPolarHBondContact CE2-O 3.3Å; T125-A148 PolarHBondContact O-N 3.03Å; Q126-A148 HydrophobicContact CB-CB 3.94Å; Q126-A148 PolarHBondContact O-N 3.29Å; N146-A148 WeakPolarHBondContact OD1-CA 3.29Å; N146-A148 PolarHBondContact OD1-N 2.72Å; N146-A148 VanDerWaalsContact OD1-N 3.1Å; A148-K150 VanDerWaalsContact C-N 3.31Å
149	K	97.3	Very high	98.5	Very high	126 Å²	126	36.1 Å²	36.1	55%	0.548	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.2	172.8	-74.7	175.6	173.6	169.7	0	113.8	N123 K124 T125 Q126 E147	N123-K149 PolarHBondContact O-NZ 2.89Å; K124-K149 WeakPolarHBondContact O-CD 3.38Å; T125-K149 PolarHBondContact O-N 2.92Å; T125-K149 VanDerWaalsContact O-N 3.12Å; Q126-K149 HydrophobicContact CB-CD 4.48Å; Q126-K149 HydrophobicContact CB-CG 4.22Å; Q126-K149 HydrophobicContact CG-CD 3.88Å; Q126-K149 HydrophobicContact CG-CG 3.94Å; E147-K149 PolarHBondContact O-N 3.25Å; E147-K149 VanDerWaalsContact O-N 3.07Å
150	K	97.9	Very high	98.5	Very high	124 Å²	124	31.5 Å²	31.5	54%	0.539	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-52.5	-179.6	-67.4	-176	-179.2	165.2	0	112.8	T125 E147 A148	T125-K150 VanDerWaalsContact CG2-CE 3.49Å; E147-K150 HydrophobicContact CB-CB 4.14Å; E147-K150 HydrophobicContact CB-CD 3.98Å; E147-K150 HydrophobicContact CB-CG 4.17Å; E147-K150 HydrophobicContact CG-CD 4.46Å; E147-K150 WeakPolarHBondContact O-CA 3.45Å; E147-K150 WeakPolarHBondContact O-CB 3.44Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CE 3.49Å; E147-K150 IonicContact OE1-NZ 3.71Å; E147-K150 PolarHBondContact OE1-NZ 3.14Å; E147-K150 WeakPolarHBondContact OE2-CD 3.41Å; E147-K150 IonicContact OE2-NZ 2.68Å; E147-K150 PolarHBondContact OE2-NZ 2.89Å; A148-K150 VanDerWaalsContact C-N 3.31Å
151	N	98.3	Very high	98.5	Very high	65 Å²	65	30.8 Å²	30.8	35%	0.348	16%	0.155	S	C	.	.			trans	-165.2	176.7	-175.9	57.8	55.6	0	0	0	111.7	N146 E147 I153	N146-N151 PolarHBondContact ND2-O 3.27Å; E147-N151 PolarHBondContact O-N 3.43Å; N151-I153 HydrophobicContact CB-CG1 4.44Å; N151-I153 WeakPolarHBondContact OD1-CB 3.26Å; N151-I153 PolarHBondContact OD1-N 3.48Å
152	C	98.6	Very high	98.5	Very high	19 Å²	19	29.6 Å²	29.6	13%	0.128	15%	0.148	C	C	.	.	S	Bend	trans	-90.8	7.8	176.3	57.5	0	0	0	0	114.3	Y110 I154 H223 C299	Y110-C152 HydrophobicContact CD1-CB 3.54Å; Y110-C152 HydrophobicContact CD2-CB 4.49Å; Y110-C152 HydrophobicContact CE1-CB 4.07Å; Y110-C152 HydrophobicContact CG-CB 3.78Å; C152-I154 PolarHBondContact O-N 2.89Å; C152-H223 WeakPolarHBondContact O-CA 3.32Å; C152-H223 WeakPolarHBondContact O-CB 3.38Å; C152-C299 HydrophobicContact CB-CB 4.01Å; C152-C299 WeakPolarHBondContact CB-O 3.42Å; C152-C299 PolarHBondContact SG-O 3.45Å; C152-C299 VanDerWaalsContact SG-O 3.4Å
153	I	98.9	Very high	98.5	Very high	80 Å²	80	29.3 Å²	29.3	41%	0.41	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-76.6	129	-173.8	-58.9	173.5	0	0	0	109.6	N146 N151 V155 H223	N146-I153 PolarHBondContact ND2-O 3.37Å; N151-I153 HydrophobicContact CB-CG1 4.44Å; N151-I153 WeakPolarHBondContact OD1-CB 3.26Å; N151-I153 PolarHBondContact OD1-N 3.48Å; I153-V155 HydrophobicContact CG2-CG2 4.07Å; I153-H223 WeakPolarHBondContact CA-O 3.26Å
154	I	98.9	Very high	98.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-103.1	116.9	173.7	-60.4	169.8	0	0	0	108	P112 F115 F132 I145 C152 H223 A225	P112-I154 HydrophobicContact CG-CD1 3.82Å; F115-I154 HydrophobicContact CD2-CD1 4.12Å; F115-I154 HydrophobicContact CD2-CG2 4.14Å; F115-I154 HydrophobicContact CE2-CG2 4.05Å; F132-I154 HydrophobicContact CD2-CD1 4.44Å; F132-I154 HydrophobicContact CE2-CD1 4.14Å; I145-I154 WeakPolarHBondContact O-CA 3.4Å; C152-I154 PolarHBondContact O-N 2.89Å; I154-H223 HydrophobicContact CD1-CB 4.24Å; I154-H223 HydrophobicContact CG1-CB 4.33Å; I154-H223 PolarHBondContact N-O 3.38Å; I154-A225 HydrophobicContact CB-CB 4.06Å; I154-A225 HydrophobicContact CD1-CB 4.41Å; I154-A225 HydrophobicContact CG2-CB 4.24Å
155	V	98.7	Very high	98.5	Very high	63 Å²	63	29.3 Å²	29.3	38%	0.382	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.7	-179	-178	0	0	0	0	109.5	G144 I145 I153 N157	G144-V155 CarbonylContact C-O 3.58Å; G144-V155 WeakPolarHBondContact CA-O 3.43Å; I145-V155 HydrophobicContact CD1-CB 4.31Å; I145-V155 HydrophobicContact CG1-CB 3.79Å; I145-V155 WeakPolarHBondContact CG1-O 3.37Å; I145-V155 PolarHBondContact N-O 3.39Å; I145-V155 PolarHBondContact O-N 2.85Å; I153-V155 HydrophobicContact CG2-CG2 4.07Å; V155-N157 PolarHBondContact O-N 2.92Å
156	P	98.4	Very high	98.5	Very high	16 Å²	16	29.6 Å²	29.6	10%	0.104	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	133	173.3	-21.4	32.2	0	0	0	111.7	Y142 Q205 M210	Y142-P156 HydrophobicContact CD2-CB 4.08Å; Y142-P156 HydrophobicContact CE2-CB 4.17Å; Y142-P156 HydrophobicContact CE2-CG 4.23Å; P156-Q205 PolarHBondContact O-NE2 2.79Å; P156-M210 HydrophobicContact CB-CE 3.49Å; P156-M210 VanDerWaalsContact CB-CE 3.49Å
157	N	98.4	Very high	98.5	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.053	16%	0.156	C	C	.	.			trans	-136.4	55.9	-173.2	-165.9	43.7	0	0	0	111.4	V143 I145 V155 A164 L167	V143-N157 CarbonylContact O-C 3.53Å; V143-N157 WeakPolarHBondContact O-CA 3.37Å; V143-N157 PolarHBondContact O-N 3.47Å; I145-N157 HydrophobicContact CD1-CB 4.38Å; I145-N157 HydrophobicContact CG1-CB 4.35Å; I145-N157 HydrophobicContact CG2-CB 3.67Å; V155-N157 PolarHBondContact O-N 2.92Å; N157-A164 WeakPolarHBondContact ND2-CA 3.14Å; N157-A164 PolarHBondContact ND2-O 3.19Å; N157-A164 WeakPolarHBondContact O-CA 3.38Å; N157-A164 VanDerWaalsContact O-CB 3.23Å; N157-A164 WeakPolarHBondContact O-CB 3.45Å; N157-A164 PolarHBondContact O-N 2.93Å; N157-L167 VanDerWaalsContact OD1-CB 3.29Å; N157-L167 WeakPolarHBondContact OD1-CB 3.06Å; N157-L167 WeakPolarHBondContact OD1-CD1 3.5Å
158	G	98.4	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	84	168.1	-176.3	0	0	0	0	0	113	Y142 V143 E204 Q205	Y142-G158 WeakPolarHBondContact CB-O 3.29Å; V143-G158 PolarHBondContact N-O 3.41Å; G158-E204 WeakPolarHBondContact CA-O 3.42Å; G158-Q205 WeakPolarHBondContact CA-O 3.35Å; G158-Q205 PolarHBondContact N-O 2.89Å
159	D	98.4	Very high	98.5	Very high	16 Å²	16	30.2 Å²	30.2	9%	0.086	15%	0.15	C	C	.	.	S	Bend	trans	-108.6	10.4	-166.5	84.4	-16.2	0	0	0	114.9	T207 K209 M210	D159-T207 HydrophobicContact CB-CG2 3.9Å; D159-T207 WeakPolarHBondContact CB-OG1 3.5Å; D159-T207 WeakPolarHBondContact OD2-CB 3.31Å; D159-T207 WeakPolarHBondContact OD2-CG2 3.28Å; D159-T207 PolarHBondContact OD2-OG1 3.16Å; D159-K209 VanDerWaalsContact CB-CE 3.46Å; D159-K209 VanDerWaalsContact CG-CE 3.42Å; D159-K209 PolarHBondContact O-NZ 3.05Å; D159-K209 IonicContact OD1-NZ 3.85Å; D159-K209 VanDerWaalsContact OD2-CD 3.26Å; D159-K209 WeakPolarHBondContact OD2-CD 3.5Å; D159-K209 WeakPolarHBondContact OD2-CE 3.25Å; D159-K209 IonicContact OD2-NZ 3.63Å; D159-K209 PolarHBondContact OD2-NZ 2.84Å; D159-M210 HydrophobicContact CB-CG 3.98Å; D159-M210 HydrophobicContact CB-SD 3.66Å
160	N	98.8	Very high	98.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	14%	0.14	C	C	.	.	S	Bend	trans	-158.3	162.7	176.9	62.7	79.6	0	0	0	108.5	D52 F162 A163 A164 Y201 S202	D52-N160 HydrophobicContact CB-CB 3.86Å; D52-N160 WeakPolarHBondContact OD2-CA 3.15Å; D52-N160 WeakPolarHBondContact OD2-CB 3.32Å; N160-F162 PolarHBondContact O-N 2.96Å; N160-F162 WeakPolarHBondContact OD1-CB 3.42Å; N160-F162 PolarHBondContact OD1-N 3.05Å; N160-F162 VanDerWaalsContact OD1-N 3.17Å; N160-A163 PolarHBondContact O-N 2.81Å; N160-A163 PolarHBondContact OD1-N 2.94Å; N160-A164 PolarHBondContact O-N 3.05Å; N160-Y201 HydrophobicContact CB-CD1 4.48Å; N160-S202 PolarHBondContact ND2-O 2.92Å
161	V	98.9	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-30.3	-175.3	64.3	0	0	0	0	113.7	D52 F56 I118 I119 A164 V165	D52-V161 HydrophobicContact CB-CG1 4.37Å; D52-V161 WeakPolarHBondContact O-CG1 3.28Å; D52-V161 PolarHBondContact OD2-N 3.35Å; F56-V161 HydrophobicContact CB-CG1 3.34Å; F56-V161 HydrophobicContact CD1-CG1 4.07Å; F56-V161 HydrophobicContact CD1-CG2 3.87Å; F56-V161 HydrophobicContact CD2-CG1 3.91Å; F56-V161 HydrophobicContact CD2-CG2 4.46Å; F56-V161 HydrophobicContact CE1-CG2 4.06Å; F56-V161 HydrophobicContact CG-CB 4.44Å; F56-V161 HydrophobicContact CG-CG1 3.5Å; F56-V161 HydrophobicContact CG-CG2 4.08Å; F56-V161 HydrophobicContact CZ-CG2 4.46Å; I118-V161 HydrophobicContact CD1-CB 4.19Å; I118-V161 HydrophobicContact CD1-CG2 3.91Å; I119-V161 HydrophobicContact CD1-CG2 3.71Å; V161-A164 PolarHBondContact O-N 3.18Å; V161-V165 HydrophobicContact CG2-CG2 4.33Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.44Å
162	F	98.8	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-48.6	175.1	-70.7	-98.9	0	0	0	110.7	D52 H55 F56 F59 N160 A164 V165 K166 L192 A195 A196 L199 Y201 L203	D52-F162 HydrophobicContact CB-CD2 4.45Å; H55-F162 HydrophobicContact CB-CE2 4Å; H55-F162 HydrophobicContact CB-CZ 4.14Å; F56-F162 HydrophobicContact CB-CD2 4.36Å; F56-F162 HydrophobicContact CB-CE2 3.79Å; F56-F162 HydrophobicContact CB-CZ 4.06Å; F56-F162 AromaticContact CD2-CD1 3.91Å; F56-F162 HydrophobicContact CD2-CD1 3.91Å; F56-F162 HydrophobicContact CD2-CD2 4.01Å; F56-F162 AromaticContact CD2-CE1 3.86Å; F56-F162 HydrophobicContact CD2-CE1 3.86Å; F56-F162 AromaticContact CD2-CE2 3.96Å; F56-F162 HydrophobicContact CD2-CE2 3.96Å; F56-F162 AromaticContact CD2-CG 3.97Å; F56-F162 HydrophobicContact CD2-CG 3.97Å; F56-F162 AromaticContact CD2-CZ 3.89Å; F56-F162 HydrophobicContact CD2-CZ 3.89Å; F56-F162 HydrophobicContact CE2-CD1 4.36Å; F56-F162 HydrophobicContact CG-CE2 4.4Å; F56-F162 HydrophobicContact CG-CZ 4.49Å; F59-F162 HydrophobicContact CB-CE1 4.11Å; F59-F162 HydrophobicContact CB-CZ 4.22Å; F59-F162 HydrophobicContact CD2-CE1 4.36Å; F59-F162 HydrophobicContact CG-CE1 4.11Å; N160-F162 PolarHBondContact O-N 2.96Å; N160-F162 WeakPolarHBondContact OD1-CB 3.42Å; N160-F162 PolarHBondContact OD1-N 3.05Å; N160-F162 VanDerWaalsContact OD1-N 3.17Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.45Å; F162-V165 PolarHBondContact O-N 2.79Å; F162-K166 WeakPolarHBondContact O-CB 3.36Å; F162-K166 PolarHBondContact O-N 3.2Å; F162-L192 HydrophobicContact CB-CD2 4.32Å; F162-L192 HydrophobicContact CD1-CD2 4.48Å; F162-L192 HydrophobicContact CD1-CG 4.21Å; F162-A195 HydrophobicContact CE1-CB 3.94Å; F162-A196 HydrophobicContact CB-CB 4.21Å; F162-A196 HydrophobicContact CD1-CB 4.29Å; F162-A196 HydrophobicContact CG-CB 4.42Å; F162-L199 HydrophobicContact CE2-CD1 4.29Å; F162-L199 HydrophobicContact CZ-CD1 3.9Å; F162-Y201 AromaticContact CD2-CD2 3.77Å; F162-Y201 HydrophobicContact CD2-CD2 3.77Å; F162-Y201 HydrophobicContact CD2-CE2 4.14Å; F162-Y201 AromaticContact CE2-CD2 3.95Å; F162-Y201 HydrophobicContact CE2-CD2 3.95Å; F162-Y201 AromaticContact CE2-CE2 3.93Å; F162-Y201 HydrophobicContact CE2-CE2 3.93Å; F162-Y201 HydrophobicContact CG-CD2 4.47Å; F162-L203 HydrophobicContact CB-CD2 4.22Å
163	A	98.8	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-46.2	175.7	0	0	0	0	0	111.5	N160 V165 K166 L167 L203	N160-A163 PolarHBondContact O-N 2.81Å; N160-A163 PolarHBondContact OD1-N 2.94Å; A163-V165 PolarHBondContact O-N 2.94Å; A163-K166 PolarHBondContact O-N 2.83Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CD1 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 3.07Å; A163-L203 HydrophobicContact CB-CD2 4.45Å
164	A	98.8	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-47.1	-178.4	0	0	0	0	0	112.7	M129 V143 N157 N160 V161 F162 L167 F168	M129-A164 HydrophobicContact SD-CB 3.92Å; V143-A164 HydrophobicContact CB-CB 3.94Å; V143-A164 HydrophobicContact CG1-CB 3.61Å; V143-A164 HydrophobicContact CG2-CB 4.44Å; N157-A164 WeakPolarHBondContact ND2-CA 3.14Å; N157-A164 PolarHBondContact ND2-O 3.19Å; N157-A164 WeakPolarHBondContact O-CA 3.38Å; N157-A164 VanDerWaalsContact O-CB 3.23Å; N157-A164 WeakPolarHBondContact O-CB 3.45Å; N157-A164 PolarHBondContact O-N 2.93Å; N160-A164 PolarHBondContact O-N 3.05Å; V161-A164 PolarHBondContact O-N 3.18Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.45Å; A164-L167 PolarHBondContact O-N 3.41Å; A164-F168 PolarHBondContact O-N 3.31Å; A164-F168 VanDerWaalsContact O-N 3.08Å
165	V	98.8	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-38.2	178.6	175	0	0	0	0	111.1	F56 L72 L76 I119 V161 F162 A163 L167 F168 L169 L192	F56-V165 HydrophobicContact CE1-CG2 4.31Å; F56-V165 HydrophobicContact CE2-CB 4.38Å; F56-V165 HydrophobicContact CE2-CG2 4.25Å; F56-V165 HydrophobicContact CZ-CB 4.16Å; F56-V165 HydrophobicContact CZ-CG1 4.26Å; F56-V165 HydrophobicContact CZ-CG2 3.67Å; L72-V165 HydrophobicContact CD1-CG1 3.96Å; L76-V165 HydrophobicContact CD1-CG1 4.1Å; I119-V165 HydrophobicContact CD1-CG2 3.6Å; V161-V165 HydrophobicContact CG2-CG2 4.33Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.44Å; F162-V165 PolarHBondContact O-N 2.79Å; A163-V165 PolarHBondContact O-N 2.94Å; V165-L167 PolarHBondContact O-N 3.18Å; V165-F168 PolarHBondContact O-N 3.04Å; V165-L169 VanDerWaalsContact O-CB 3.29Å; V165-L169 WeakPolarHBondContact O-CB 3.4Å; V165-L169 PolarHBondContact O-N 3.08Å; V165-L192 HydrophobicContact CB-CD1 4.07Å; V165-L192 HydrophobicContact CG1-CD1 3.78Å
166	K	98.6	Very high	97.3	Very high	35 Å²	35	35.4 Å²	35.4	15%	0.152	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.8	-169.9	175.5	174.6	68.5	0	112.7	F162 A163 F168 L169 T170 D189 L192 T193 L203	F162-K166 WeakPolarHBondContact O-CB 3.36Å; F162-K166 PolarHBondContact O-N 3.2Å; A163-K166 PolarHBondContact O-N 2.83Å; K166-F168 VanDerWaalsContact C-N 3.33Å; K166-L169 PolarHBondContact O-N 3.48Å; K166-T170 WeakPolarHBondContact O-CB 3.09Å; K166-T170 PolarHBondContact O-N 3.19Å; K166-T170 PolarHBondContact O-OG1 3.09Å; K166-D189 IonicContact NZ-OD1 2.93Å; K166-D189 PolarHBondContact NZ-OD1 2.81Å; K166-D189 IonicContact NZ-OD2 3.54Å; K166-D189 PolarHBondContact NZ-OD2 3.43Å; K166-D189 VanDerWaalsContact NZ-OD2 3.13Å; K166-L192 HydrophobicContact CB-CD1 4.45Å; K166-L192 HydrophobicContact CB-CD2 3.68Å; K166-L192 HydrophobicContact CD-CD2 4.16Å; K166-L192 HydrophobicContact CG-CD2 4.16Å; K166-T193 PolarHBondContact NZ-OG1 2.98Å; K166-L203 HydrophobicContact CB-CD2 4.31Å; K166-L203 HydrophobicContact CD-CB 3.97Å; K166-L203 HydrophobicContact CD-CD1 3.62Å; K166-L203 HydrophobicContact CD-CD2 3.82Å; K166-L203 HydrophobicContact CD-CG 4Å
167	L	98.6	Very high	97	Very high	41 Å²	41	41 Å²	41	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-42	179.6	-70.4	162.3	0	0	0	110.7	N157 A163 A164 V165 T170 K171 Q205	N157-L167 VanDerWaalsContact OD1-CB 3.29Å; N157-L167 WeakPolarHBondContact OD1-CB 3.06Å; N157-L167 WeakPolarHBondContact OD1-CD1 3.5Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CD1 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 3.07Å; A164-L167 PolarHBondContact O-N 3.41Å; V165-L167 PolarHBondContact O-N 3.18Å; L167-T170 PolarHBondContact O-N 3.29Å; L167-K171 PolarHBondContact O-N 2.86Å; L167-Q205 HydrophobicContact CD1-CB 3.86Å; L167-Q205 HydrophobicContact CD1-CG 4.07Å; L167-Q205 HydrophobicContact CD2-CB 4.02Å
168	F	98.5	Very high	96.8	Very high	33 Å²	33	44.6 Å²	44.6	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-49.2	172.4	-177.9	-88.6	0	0	0	111.9	L76 L78 Y127 M129 A164 V165 K166 T170 K171 K172	L76-F168 HydrophobicContact CB-CE1 4.22Å; L76-F168 HydrophobicContact CD2-CD1 4.18Å; L76-F168 HydrophobicContact CD2-CE1 4.23Å; L78-F168 HydrophobicContact CD1-CD1 3.66Å; L78-F168 HydrophobicContact CD1-CE1 3.9Å; L78-F168 HydrophobicContact CD1-CG 4.17Å; L78-F168 HydrophobicContact CD2-CD1 4.39Å; L78-F168 HydrophobicContact CD2-CE1 3.96Å; L78-F168 HydrophobicContact CD2-CE2 4.24Å; L78-F168 HydrophobicContact CD2-CZ 3.87Å; L78-F168 HydrophobicContact CG-CD1 4.19Å; L78-F168 HydrophobicContact CG-CE1 3.89Å; L78-F168 HydrophobicContact CG-CZ 4.31Å; Y127-F168 HydrophobicContact CD1-CE2 4.14Å; Y127-F168 AromaticContact CE1-CD2 3.73Å; Y127-F168 HydrophobicContact CE1-CD2 3.73Å; Y127-F168 AromaticContact CE1-CE2 3.63Å; Y127-F168 HydrophobicContact CE1-CE2 3.63Å; Y127-F168 HydrophobicContact CE2-CD2 4.45Å; Y127-F168 HydrophobicContact CE2-CE2 4.43Å; Y127-F168 AromaticContact CZ-CD2 3.62Å; Y127-F168 AromaticContact CZ-CE2 3.81Å; Y127-F168 WeakPolarHBondContact OH-CD2 3.33Å; M129-F168 HydrophobicContact CE-CB 3.69Å; M129-F168 HydrophobicContact CE-CD2 3.95Å; M129-F168 HydrophobicContact CE-CG 3.86Å; A164-F168 PolarHBondContact O-N 3.31Å; A164-F168 VanDerWaalsContact O-N 3.08Å; V165-F168 PolarHBondContact O-N 3.04Å; K166-F168 VanDerWaalsContact C-N 3.33Å; F168-T170 VanDerWaalsContact C-N 3.33Å; F168-T170 PolarHBondContact O-N 3.35Å; F168-K171 WeakPolarHBondContact O-CB 3.44Å; F168-K171 PolarHBondContact O-N 3.42Å; F168-K172 HydrophobicContact CE1-CB 4.45Å; F168-K172 HydrophobicContact CE1-CD 4.43Å; F168-K172 WeakPolarHBondContact O-CB 3.49Å; F168-K172 PolarHBondContact O-N 3.06Å
169	L	97.9	Very high	96.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-46.6	178.1	-174.7	161.7	0	0	0	111	L76 V165 K166 K171 K172 L173 I188 D189	L76-L169 HydrophobicContact CD1-CB 4.5Å; L76-L169 HydrophobicContact CD1-CD1 4.37Å; L76-L169 HydrophobicContact CD2-CB 4.06Å; L76-L169 HydrophobicContact CD2-CD1 4.48Å; L76-L169 HydrophobicContact CD2-CG 4.03Å; V165-L169 VanDerWaalsContact O-CB 3.29Å; V165-L169 WeakPolarHBondContact O-CB 3.4Å; V165-L169 PolarHBondContact O-N 3.08Å; K166-L169 PolarHBondContact O-N 3.48Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.42Å; L169-K172 CarbonylContact O-C 3.6Å; L169-K172 WeakPolarHBondContact O-CA 3.5Å; L169-K172 WeakPolarHBondContact O-CB 3.29Å; L169-K172 PolarHBondContact O-N 2.96Å; L169-L173 HydrophobicContact CD2-CD1 3.43Å; L169-L173 VanDerWaalsContact CD2-CD1 3.43Å; L169-L173 HydrophobicContact CD2-CG 3.92Å; L169-L173 PolarHBondContact O-N 3.49Å; L169-I188 HydrophobicContact CD1-CB 4.23Å; L169-I188 HydrophobicContact CD1-CG2 3.86Å; L169-D189 HydrophobicContact CD1-CB 4.02Å; L169-D189 HydrophobicContact CD2-CB 3.72Å
170	T	97.1	Very high	96.2	Very high	56 Å²	56	60.4 Å²	60.4	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-41.1	178.8	-59.8	0	0	0	0	111.6	K166 L167 F168	K166-T170 WeakPolarHBondContact O-CB 3.09Å; K166-T170 PolarHBondContact O-N 3.19Å; K166-T170 PolarHBondContact O-OG1 3.09Å; L167-T170 PolarHBondContact O-N 3.29Å; F168-T170 VanDerWaalsContact C-N 3.33Å; F168-T170 PolarHBondContact O-N 3.35Å
171	K	96.1	Very high	95.9	Very high	128 Å²	128	63.7 Å²	63.7	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-64.8	-45	172.6	-176.4	-178.1	174.2	-175.2	0	110.7	L167 F168 L169 L173 K174	L167-K171 PolarHBondContact O-N 2.86Å; F168-K171 WeakPolarHBondContact O-CB 3.44Å; F168-K171 PolarHBondContact O-N 3.42Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.42Å; K171-L173 PolarHBondContact O-N 2.87Å; K171-K174 WeakPolarHBondContact O-CB 3.46Å; K171-K174 PolarHBondContact O-N 3.39Å; K171-K174 VanDerWaalsContact O-N 3.11Å
172	K	94.8	Very high	95.7	Very high	58 Å²	58	65.5 Å²	65.5	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-38.2	-178.4	-162.1	70.2	-170.2	164.7	0	113.1	L76 F168 L169 K174 E175 V176 L185	L76-K172 HydrophobicContact CD2-CB 4.42Å; L76-K172 HydrophobicContact CD2-CG 4.46Å; F168-K172 HydrophobicContact CE1-CB 4.45Å; F168-K172 HydrophobicContact CE1-CD 4.43Å; F168-K172 WeakPolarHBondContact O-CB 3.49Å; F168-K172 PolarHBondContact O-N 3.06Å; L169-K172 CarbonylContact O-C 3.6Å; L169-K172 WeakPolarHBondContact O-CA 3.5Å; L169-K172 WeakPolarHBondContact O-CB 3.29Å; L169-K172 PolarHBondContact O-N 2.96Å; K172-K174 PolarHBondContact O-N 2.84Å; K172-E175 IonicContact NZ-OE2 3.61Å; K172-E175 PolarHBondContact NZ-OE2 3.45Å; K172-E175 PolarHBondContact O-N 2.85Å; K172-V176 HydrophobicContact CG-CG2 4.19Å; K172-V176 WeakPolarHBondContact O-CG2 3.38Å; K172-V176 PolarHBondContact O-N 3.36Å; K172-V176 VanDerWaalsContact O-N 3.13Å; K172-L185 HydrophobicContact CG-CD1 4.48Å
173	L	94.8	Very high	95.5	Very high	43 Å²	43	70.5 Å²	70.5	23%	0.225	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-28.9	175.1	-88.8	172.3	0	0	0	113.1	L169 K171 I182 L185 K186	L169-L173 HydrophobicContact CD2-CD1 3.43Å; L169-L173 VanDerWaalsContact CD2-CD1 3.43Å; L169-L173 HydrophobicContact CD2-CG 3.92Å; L169-L173 PolarHBondContact O-N 3.49Å; K171-L173 PolarHBondContact O-N 2.87Å; L173-I182 HydrophobicContact CD2-CG2 4.17Å; L173-L185 HydrophobicContact CD2-CB 3.71Å; L173-L185 HydrophobicContact CD2-CD1 4.07Å; L173-L185 HydrophobicContact CG-CB 4.12Å; L173-L185 HydrophobicContact CG-CD1 4.29Å; L173-K186 HydrophobicContact CD2-CG 4.45Å
174	K	94.6	Very high	95.3	Very high	178 Å²	178	74.4 Å²	74.4	77%	0.774	36%	0.361	S	S	*	.	H	α-helix	trans	-77.5	-21.5	176.6	-61.3	176	-177.2	178.4	0	113.1	K171 K172	K171-K174 WeakPolarHBondContact O-CB 3.46Å; K171-K174 PolarHBondContact O-N 3.39Å; K171-K174 VanDerWaalsContact O-N 3.11Å; K172-K174 PolarHBondContact O-N 2.84Å
175	E	92.8	Very high	95.2	Very high	104 Å²	104	74.4 Å²	74.4	49%	0.486	36%	0.361	S	S	.	.	H	α-helix	trans	-93.3	-25.5	-177.9	-62.1	172.1	-174.6	0	0	112.7	K172	K172-E175 IonicContact NZ-OE2 3.61Å; K172-E175 PolarHBondContact NZ-OE2 3.45Å; K172-E175 PolarHBondContact O-N 2.85Å
176	V	93	Very high	95.1	Very high	23 Å²	23	79.7 Å²	79.7	14%	0.139	38%	0.384	C	S	.	.			trans	-86.4	131.4	-174.8	176.1	0	0	0	0	110.8	K172 D178 K181 I182 L185	K172-V176 HydrophobicContact CG-CG2 4.19Å; K172-V176 WeakPolarHBondContact O-CG2 3.38Å; K172-V176 PolarHBondContact O-N 3.36Å; K172-V176 VanDerWaalsContact O-N 3.13Å; V176-D178 HydrophobicContact CG1-CB 4.4Å; V176-K181 HydrophobicContact CG1-CB 3.91Å; V176-K181 HydrophobicContact CG1-CD 3.91Å; V176-K181 HydrophobicContact CG1-CG 3.9Å; V176-K181 HydrophobicContact CG2-CD 4.26Å; V176-I182 HydrophobicContact CB-CG1 4.48Å; V176-I182 HydrophobicContact CG1-CG1 4.04Å; V176-L185 HydrophobicContact CG2-CD1 4.29Å
177	T	92.1	Very high	95	Very high	135 Å²	135	81.7 Å²	81.7	83%	0.828	40%	0.396	S	S	*	.			trans	-104.7	-18.9	176.3	54.7	0	0	0	0	113.6	K179	T177-K179 PolarHBondContact O-N 3.02Å
178	D	93.8	Very high	94.9	Very high	85 Å²	85	80.2 Å²	80.2	46%	0.455	39%	0.388	S	S	.	.			trans	-70.7	122	-179.9	177.5	-101.2	0	0	0	112.1	V176 K180 K181 I182	V176-D178 HydrophobicContact CG1-CB 4.4Å; D178-K180 PolarHBondContact O-N 2.89Å; D178-K180 WeakPolarHBondContact OD1-CB 3.23Å; D178-K180 PolarHBondContact OD1-N 3.1Å; D178-K180 VanDerWaalsContact OD1-N 3.17Å; D178-K181 HydrophobicContact CB-CB 4.11Å; D178-K181 PolarHBondContact O-N 2.88Å; D178-K181 WeakPolarHBondContact OD1-CB 3.08Å; D178-K181 PolarHBondContact OD1-N 2.9Å; D178-I182 VanDerWaalsContact O-CG1 3.26Å; D178-I182 WeakPolarHBondContact O-CG1 3.35Å; D178-I182 PolarHBondContact O-N 2.88Å
179	K	93	Very high	94.8	Very high	171 Å²	171	80.3 Å²	80.3	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-63.9	-37.6	-175	-68.9	-176.2	179.6	179.3	0	113.3	T177 I182 N183	T177-K179 PolarHBondContact O-N 3.02Å; K179-I182 PolarHBondContact O-N 2.91Å; K179-N183 PolarHBondContact O-N 2.91Å; K179-N183 VanDerWaalsContact O-N 3.07Å
180	K	92.4	Very high	94.8	Very high	176 Å²	176	86.5 Å²	86.5	77%	0.765	42%	0.419	S	S	*	.	H	α-helix	trans	-67.3	-44.6	-179.5	-68	-178.2	178.8	179.8	0	110.1	D178 N183 L184	D178-K180 PolarHBondContact O-N 2.89Å; D178-K180 WeakPolarHBondContact OD1-CB 3.23Å; D178-K180 PolarHBondContact OD1-N 3.1Å; D178-K180 VanDerWaalsContact OD1-N 3.17Å; K180-N183 PolarHBondContact O-N 3.28Å; K180-L184 PolarHBondContact O-N 2.78Å
181	K	92.5	Very high	94.9	Very high	71 Å²	71	88.4 Å²	88.4	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.5	-169.8	167.2	-177.1	160.1	0	111.9	S75 V176 D178 N183 L184 L185	S75-K181 WeakPolarHBondContact O-CE 3.37Å; S75-K181 PolarHBondContact O-NZ 2.97Å; V176-K181 HydrophobicContact CG1-CB 3.91Å; V176-K181 HydrophobicContact CG1-CD 3.91Å; V176-K181 HydrophobicContact CG1-CG 3.9Å; V176-K181 HydrophobicContact CG2-CD 4.26Å; D178-K181 HydrophobicContact CB-CB 4.11Å; D178-K181 PolarHBondContact O-N 2.88Å; D178-K181 WeakPolarHBondContact OD1-CB 3.08Å; D178-K181 PolarHBondContact OD1-N 2.9Å; K181-N183 VanDerWaalsContact C-N 3.34Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-L184 PolarHBondContact O-N 3.24Å; K181-L185 HydrophobicContact CG-CD1 4.34Å; K181-L185 HydrophobicContact CG-CG 4.44Å; K181-L185 WeakPolarHBondContact O-CB 3.37Å; K181-L185 VanDerWaalsContact O-CG 3.28Å; K181-L185 WeakPolarHBondContact O-CG 3.18Å; K181-L185 PolarHBondContact O-N 3.05Å
182	I	94.8	Very high	95	Very high	39 Å²	39	82.3 Å²	82.3	20%	0.2	40%	0.396	C	S	.	.	H	α-helix	trans	-57.4	-46.7	174	-70.4	163.6	0	0	0	111.1	L173 V176 D178 K179 L184 L185 K186	L173-I182 HydrophobicContact CD2-CG2 4.17Å; V176-I182 HydrophobicContact CB-CG1 4.48Å; V176-I182 HydrophobicContact CG1-CG1 4.04Å; D178-I182 VanDerWaalsContact O-CG1 3.26Å; D178-I182 WeakPolarHBondContact O-CG1 3.35Å; D178-I182 PolarHBondContact O-N 2.88Å; K179-I182 PolarHBondContact O-N 2.91Å; I182-L184 PolarHBondContact O-N 3.39Å; I182-L185 PolarHBondContact O-N 3.44Å; I182-K186 HydrophobicContact CG2-CD 4.25Å; I182-K186 HydrophobicContact CG2-CG 4.5Å; I182-K186 WeakPolarHBondContact O-CG 3.38Å; I182-K186 PolarHBondContact O-N 3.48Å
183	N	94.8	Very high	95.1	Very high	104 Å²	104	81.6 Å²	81.6	56%	0.556	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-41.3	179.5	-71.4	-11	0	0	0	112.1	K179 K180 K181 K186 N187	K179-N183 PolarHBondContact O-N 2.91Å; K179-N183 VanDerWaalsContact O-N 3.07Å; K180-N183 PolarHBondContact O-N 3.28Å; K181-N183 VanDerWaalsContact C-N 3.34Å; K181-N183 PolarHBondContact O-N 2.86Å; N183-K186 PolarHBondContact O-N 3.17Å; N183-N187 PolarHBondContact O-N 3.26Å
184	L	94.3	Very high	95.3	Very high	83 Å²	83	82.7 Å²	82.7	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-60	-46.3	174.4	178.2	62.3	0	0	0	111.5	K180 K181 I182 K186 N187 I188	K180-L184 PolarHBondContact O-N 2.78Å; K181-L184 PolarHBondContact O-N 3.24Å; I182-L184 PolarHBondContact O-N 3.39Å; L184-K186 PolarHBondContact O-N 3.44Å; L184-N187 PolarHBondContact O-N 2.82Å; L184-I188 HydrophobicContact CD1-CD1 4.3Å; L184-I188 HydrophobicContact CG-CD1 4.2Å; L184-I188 WeakPolarHBondContact O-CG1 3.34Å; L184-I188 PolarHBondContact O-N 2.86Å; L184-I188 VanDerWaalsContact O-N 3.07Å
185	L	95.9	Very high	95.5	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-38.5	178.8	-69.5	-179.2	0	0	0	112.4	L76 K172 L173 V176 K181 I182 I188 D189	L76-L185 HydrophobicContact CD2-CD2 3.42Å; L76-L185 VanDerWaalsContact CD2-CD2 3.42Å; L76-L185 HydrophobicContact CG-CD2 3.89Å; K172-L185 HydrophobicContact CG-CD1 4.48Å; L173-L185 HydrophobicContact CD2-CB 3.71Å; L173-L185 HydrophobicContact CD2-CD1 4.07Å; L173-L185 HydrophobicContact CG-CB 4.12Å; L173-L185 HydrophobicContact CG-CD1 4.29Å; V176-L185 HydrophobicContact CG2-CD1 4.29Å; K181-L185 HydrophobicContact CG-CD1 4.34Å; K181-L185 HydrophobicContact CG-CG 4.44Å; K181-L185 WeakPolarHBondContact O-CB 3.37Å; K181-L185 VanDerWaalsContact O-CG 3.28Å; K181-L185 WeakPolarHBondContact O-CG 3.18Å; K181-L185 PolarHBondContact O-N 3.05Å; I182-L185 PolarHBondContact O-N 3.44Å; L185-I188 PolarHBondContact O-N 3.29Å; L185-D189 WeakPolarHBondContact O-CB 3.48Å; L185-D189 PolarHBondContact O-N 2.79Å
186	K	96.6	Very high	95.7	Very high	111 Å²	111	70 Å²	70	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-43	174.7	-75.5	-178.7	175.6	-173.7	0	112.4	L173 I182 N183 L184 I188 D189 E190	L173-K186 HydrophobicContact CD2-CG 4.45Å; I182-K186 HydrophobicContact CG2-CD 4.25Å; I182-K186 HydrophobicContact CG2-CG 4.5Å; I182-K186 WeakPolarHBondContact O-CG 3.38Å; I182-K186 PolarHBondContact O-N 3.48Å; N183-K186 PolarHBondContact O-N 3.17Å; L184-K186 PolarHBondContact O-N 3.44Å; K186-I188 VanDerWaalsContact C-N 3.33Å; K186-I188 PolarHBondContact O-N 3.06Å; K186-D189 WeakPolarHBondContact O-CB 3.39Å; K186-D189 PolarHBondContact O-N 2.94Å; K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 3.42Å
187	N	96.1	Very high	96	Very high	76 Å²	76	76.7 Å²	76.7	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.3	-179.5	53.1	0	0	0	111.9	N183 L184 K191	N183-N187 PolarHBondContact O-N 3.26Å; L184-N187 PolarHBondContact O-N 2.82Å; N187-K191 WeakPolarHBondContact O-CG 3.3Å; N187-K191 PolarHBondContact O-N 3.42Å; N187-K191 VanDerWaalsContact O-N 3.14Å
188	I	96.5	Very high	96.2	Very high	11 Å²	11	76.5 Å²	76.5	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-42.1	174.1	-66	168.3	0	0	0	110.7	L72 S75 L169 L184 L185 K186 E190 K191 L192	L72-I188 HydrophobicContact CD2-CG2 4.23Å; S75-I188 WeakPolarHBondContact OG-CD1 3.4Å; L169-I188 HydrophobicContact CD1-CB 4.23Å; L169-I188 HydrophobicContact CD1-CG2 3.86Å; L184-I188 HydrophobicContact CD1-CD1 4.3Å; L184-I188 HydrophobicContact CG-CD1 4.2Å; L184-I188 WeakPolarHBondContact O-CG1 3.34Å; L184-I188 PolarHBondContact O-N 2.86Å; L184-I188 VanDerWaalsContact O-N 3.07Å; L185-I188 PolarHBondContact O-N 3.29Å; K186-I188 VanDerWaalsContact C-N 3.33Å; K186-I188 PolarHBondContact O-N 3.06Å; I188-E190 PolarHBondContact O-N 3.43Å; I188-K191 PolarHBondContact O-N 2.9Å; I188-L192 VanDerWaalsContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CB 3.4Å; I188-L192 PolarHBondContact O-N 2.93Å
189	D	97.8	Very high	96.4	Very high	35 Å²	35	74.1 Å²	74.1	19%	0.187	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-42.1	177.9	-168.3	52.7	0	0	0	112.5	K166 L169 L185 K186 L192 T193	K166-D189 IonicContact NZ-OD1 2.93Å; K166-D189 PolarHBondContact NZ-OD1 2.81Å; K166-D189 IonicContact NZ-OD2 3.54Å; K166-D189 PolarHBondContact NZ-OD2 3.43Å; K166-D189 VanDerWaalsContact NZ-OD2 3.13Å; L169-D189 HydrophobicContact CD1-CB 4.02Å; L169-D189 HydrophobicContact CD2-CB 3.72Å; L185-D189 WeakPolarHBondContact O-CB 3.48Å; L185-D189 PolarHBondContact O-N 2.79Å; K186-D189 WeakPolarHBondContact O-CB 3.39Å; K186-D189 PolarHBondContact O-N 2.94Å; D189-L192 PolarHBondContact O-N 2.79Å; D189-T193 VanDerWaalsContact O-CB 3.29Å; D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 2.84Å; D189-T193 PolarHBondContact O-OG1 3.07Å
190	E	98	Very high	96.6	Very high	130 Å²	130	68 Å²	68	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-61.3	-51.1	175.9	-75.6	172.3	-167.6	0	0	111	K186 I188 L192 T193 E194	K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 3.42Å; I188-E190 PolarHBondContact O-N 3.43Å; E190-L192 PolarHBondContact O-N 2.63Å; E190-T193 PolarHBondContact O-N 3.47Å; E190-E194 WeakPolarHBondContact O-CB 3.38Å; E190-E194 PolarHBondContact O-N 2.72Å
191	K	97.9	Very high	96.8	Very high	96 Å²	96	61 Å²	61	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-44.5	176.9	-71.7	-175.4	174.5	-165.3	0	112.5	F59 L63 N187 I188 T193 E194 A195	F59-K191 HydrophobicContact CE2-CB 3.98Å; F59-K191 HydrophobicContact CZ-CB 4.32Å; L63-K191 HydrophobicContact CD2-CD 3.8Å; N187-K191 WeakPolarHBondContact O-CG 3.3Å; N187-K191 PolarHBondContact O-N 3.42Å; N187-K191 VanDerWaalsContact O-N 3.14Å; I188-K191 PolarHBondContact O-N 2.9Å; K191-T193 VanDerWaalsContact C-N 3.34Å; K191-E194 PolarHBondContact O-N 3.26Å; K191-A195 WeakPolarHBondContact O-CB 3.48Å; K191-A195 PolarHBondContact O-N 3Å
192	L	98.2	Very high	97.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-43.1	179	-173.3	159.1	0	0	0	110.8	F59 F162 V165 K166 I188 D189 E190 A195 A196 L203	F59-L192 HydrophobicContact CE2-CB 4.4Å; F59-L192 HydrophobicContact CZ-CB 3.91Å; F59-L192 HydrophobicContact CZ-CG 4.49Å; F162-L192 HydrophobicContact CB-CD2 4.32Å; F162-L192 HydrophobicContact CD1-CD2 4.48Å; F162-L192 HydrophobicContact CD1-CG 4.21Å; V165-L192 HydrophobicContact CB-CD1 4.07Å; V165-L192 HydrophobicContact CG1-CD1 3.78Å; K166-L192 HydrophobicContact CB-CD1 4.45Å; K166-L192 HydrophobicContact CB-CD2 3.68Å; K166-L192 HydrophobicContact CD-CD2 4.16Å; K166-L192 HydrophobicContact CG-CD2 4.16Å; I188-L192 VanDerWaalsContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CB 3.4Å; I188-L192 PolarHBondContact O-N 2.93Å; D189-L192 PolarHBondContact O-N 2.79Å; E190-L192 PolarHBondContact O-N 2.63Å; L192-A195 PolarHBondContact O-N 3.37Å; L192-A196 WeakPolarHBondContact O-CB 3.35Å; L192-A196 PolarHBondContact O-N 2.85Å; L192-L203 HydrophobicContact CD2-CD2 3.99Å
193	T	98.3	Very high	97.3	Very high	42 Å²	42	59.9 Å²	59.9	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-40.3	179.2	-54.7	0	0	0	0	111.7	K166 D189 E190 K191 R197 L203	K166-T193 PolarHBondContact NZ-OG1 2.98Å; D189-T193 VanDerWaalsContact O-CB 3.29Å; D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 2.84Å; D189-T193 PolarHBondContact O-OG1 3.07Å; E190-T193 PolarHBondContact O-N 3.47Å; K191-T193 VanDerWaalsContact C-N 3.34Å; T193-R197 VanDerWaalsContact O-CB 3.31Å; T193-R197 WeakPolarHBondContact O-CB 3.46Å; T193-R197 PolarHBondContact O-N 3.11Å; T193-L203 HydrophobicContact CG2-CD1 4.07Å
194	E	98.3	Very high	97.4	Very high	67 Å²	67	60 Å²	60	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-53.6	175.1	-170.2	61	-133.9	0	0	111	E190 K191 A196 R197 E198	E190-E194 WeakPolarHBondContact O-CB 3.38Å; E190-E194 PolarHBondContact O-N 2.72Å; K191-E194 PolarHBondContact O-N 3.26Å; E194-A196 VanDerWaalsContact C-N 3.35Å; E194-A196 PolarHBondContact O-N 3.41Å; E194-R197 VanDerWaalsContact CD-CZ 3.44Å; E194-R197 WeakPolarHBondContact O-CA 3.45Å; E194-R197 WeakPolarHBondContact O-CB 3.48Å; E194-R197 PolarHBondContact O-N 3Å; E194-R197 IonicContact OE1-CZ 3.66Å; E194-R197 IonicContact OE1-NE 3.88Å; E194-R197 PolarHBondContact OE1-NE 3.01Å; E194-R197 IonicContact OE1-NH2 3.68Å; E194-R197 PolarHBondContact OE1-NH2 3.08Å; E194-R197 IonicContact OE2-CZ 2.73Å; E194-R197 IonicContact OE2-NE 3.47Å; E194-R197 IonicContact OE2-NH1 2.74Å; E194-R197 PolarHBondContact OE2-NH1 3.37Å; E194-R197 VanDerWaalsContact OE2-NH1 3.13Å; E194-R197 IonicContact OE2-NH2 3.21Å; E194-R197 PolarHBondContact OE2-NH2 3.06Å; E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.47Å
195	A	97.9	Very high	97.4	Very high	16 Å²	16	60.6 Å²	60.6	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-45.6	180	0	0	0	0	0	112	F59 F162 K191 L192 R197 E198 L199	F59-A195 HydrophobicContact CD2-CB 3.9Å; F59-A195 HydrophobicContact CE2-CB 4.27Å; F162-A195 HydrophobicContact CE1-CB 3.94Å; K191-A195 WeakPolarHBondContact O-CB 3.48Å; K191-A195 PolarHBondContact O-N 3Å; L192-A195 PolarHBondContact O-N 3.37Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 3.46Å; A195-E198 PolarHBondContact O-N 2.84Å; A195-L199 WeakPolarHBondContact O-CB 3.07Å; A195-L199 WeakPolarHBondContact O-CD1 3.1Å; A195-L199 VanDerWaalsContact O-CG 3.25Å; A195-L199 WeakPolarHBondContact O-CG 3.41Å; A195-L199 PolarHBondContact O-N 3.5Å
196	A	97.9	Very high	97.5	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-37.7	176.4	0	0	0	0	0	112.2	F162 L192 E194 G200 Y201 L203	F162-A196 HydrophobicContact CB-CB 4.21Å; F162-A196 HydrophobicContact CD1-CB 4.29Å; F162-A196 HydrophobicContact CG-CB 4.42Å; L192-A196 WeakPolarHBondContact O-CB 3.35Å; L192-A196 PolarHBondContact O-N 2.85Å; E194-A196 VanDerWaalsContact C-N 3.35Å; E194-A196 PolarHBondContact O-N 3.41Å; A196-G200 PolarHBondContact O-N 2.83Å; A196-Y201 PolarHBondContact O-N 3.13Å; A196-L203 HydrophobicContact CB-CD1 3.99Å; A196-L203 HydrophobicContact CB-CD2 3.68Å; A196-L203 HydrophobicContact CB-CG 3.96Å
197	R	97.9	Very high	97.5	Very high	162 Å²	162	61 Å²	61	61%	0.611	30%	0.299	S	S	*	.	H	α-helix	trans	-67.3	-45.5	177	-177.1	179.9	71.5	-148.2	19	111.9	T193 E194 A195 L199 G200	T193-R197 VanDerWaalsContact O-CB 3.31Å; T193-R197 WeakPolarHBondContact O-CB 3.46Å; T193-R197 PolarHBondContact O-N 3.11Å; E194-R197 VanDerWaalsContact CD-CZ 3.44Å; E194-R197 WeakPolarHBondContact O-CA 3.45Å; E194-R197 WeakPolarHBondContact O-CB 3.48Å; E194-R197 PolarHBondContact O-N 3Å; E194-R197 IonicContact OE1-CZ 3.66Å; E194-R197 IonicContact OE1-NE 3.88Å; E194-R197 PolarHBondContact OE1-NE 3.01Å; E194-R197 IonicContact OE1-NH2 3.68Å; E194-R197 PolarHBondContact OE1-NH2 3.08Å; E194-R197 IonicContact OE2-CZ 2.73Å; E194-R197 IonicContact OE2-NE 3.47Å; E194-R197 IonicContact OE2-NH1 2.74Å; E194-R197 PolarHBondContact OE2-NH1 3.37Å; E194-R197 VanDerWaalsContact OE2-NH1 3.13Å; E194-R197 IonicContact OE2-NH2 3.21Å; E194-R197 PolarHBondContact OE2-NH2 3.06Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 3.46Å; R197-L199 VanDerWaalsContact C-N 3.32Å; R197-L199 PolarHBondContact O-N 3.47Å; R197-G200 PolarHBondContact O-N 2.83Å
198	E	97.3	Very high	97.6	Very high	132 Å²	132	63 Å²	63	62%	0.617	31%	0.308	S	S	*	.	H	α-helix	trans	-61	-42.4	177.9	-70.8	-177.4	161.8	0	0	111.5	E194 A195 G200	E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.47Å; A195-E198 PolarHBondContact O-N 2.84Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 3.3Å
199	L	97	Very high	97.6	Very high	34 Å²	34	67.2 Å²	67.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-80.4	-9	179.2	-63.5	166.8	0	0	0	113.7	H55 F162 A195 R197 Y201	H55-L199 HydrophobicContact CB-CD1 3.75Å; F162-L199 HydrophobicContact CE2-CD1 4.29Å; F162-L199 HydrophobicContact CZ-CD1 3.9Å; A195-L199 WeakPolarHBondContact O-CB 3.07Å; A195-L199 WeakPolarHBondContact O-CD1 3.1Å; A195-L199 VanDerWaalsContact O-CG 3.25Å; A195-L199 WeakPolarHBondContact O-CG 3.41Å; A195-L199 PolarHBondContact O-N 3.5Å; R197-L199 VanDerWaalsContact C-N 3.32Å; R197-L199 PolarHBondContact O-N 3.47Å; L199-Y201 HydrophobicContact CB-CD2 3.64Å; L199-Y201 HydrophobicContact CB-CE2 3.65Å; L199-Y201 HydrophobicContact CB-CG 4.49Å; L199-Y201 HydrophobicContact CD1-CD2 4.18Å; L199-Y201 HydrophobicContact CD1-CE2 3.9Å; L199-Y201 HydrophobicContact CG-CE2 4.34Å
200	G	97.4	Very high	97.7	Very high	44 Å²	44	65.8 Å²	65.8	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	25.1	179.4	0	0	0	0	0	114.8	A196 R197 E198	A196-G200 PolarHBondContact O-N 2.83Å; R197-G200 PolarHBondContact O-N 2.83Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 3.3Å
201	Y	98.3	Very high	97.7	Very high	27 Å²	27	64.2 Å²	64.2	11%	0.106	31%	0.309	C	S	.	.			trans	-83.9	134.1	175.7	-66.5	-49.7	0	0	0	112.1	F28 D52 H55 N160 F162 A196 L199	F28-Y201 AromaticContact CE1-CE1 3.93Å; F28-Y201 HydrophobicContact CE1-CE1 3.93Å; F28-Y201 HydrophobicContact CZ-CD1 4.31Å; F28-Y201 AromaticContact CZ-CE1 3.73Å; F28-Y201 HydrophobicContact CZ-CE1 3.73Å; D52-Y201 WeakPolarHBondContact CA-OH 3.38Å; D52-Y201 HydrophobicContact CB-CD1 4.43Å; D52-Y201 HydrophobicContact CB-CD2 4.43Å; D52-Y201 HydrophobicContact CB-CE1 3.87Å; D52-Y201 HydrophobicContact CB-CE2 3.85Å; D52-Y201 PolarHBondContact N-OH 2.7Å; D52-Y201 VanDerWaalsContact N-OH 3.1Å; H55-Y201 HydrophobicContact CB-CE2 4.33Å; H55-Y201 AromaticContact ND1-CE2 3.89Å; H55-Y201 AromaticContact ND1-CZ 3.81Å; H55-Y201 PolarHBondContact ND1-OH 3.47Å; N160-Y201 HydrophobicContact CB-CD1 4.48Å; F162-Y201 AromaticContact CD2-CD2 3.77Å; F162-Y201 HydrophobicContact CD2-CD2 3.77Å; F162-Y201 HydrophobicContact CD2-CE2 4.14Å; F162-Y201 AromaticContact CE2-CD2 3.95Å; F162-Y201 HydrophobicContact CE2-CD2 3.95Å; F162-Y201 AromaticContact CE2-CE2 3.93Å; F162-Y201 HydrophobicContact CE2-CE2 3.93Å; F162-Y201 HydrophobicContact CG-CD2 4.47Å; A196-Y201 PolarHBondContact O-N 3.13Å; L199-Y201 HydrophobicContact CB-CD2 3.64Å; L199-Y201 HydrophobicContact CB-CE2 3.65Å; L199-Y201 HydrophobicContact CB-CG 4.49Å; L199-Y201 HydrophobicContact CD1-CD2 4.18Å; L199-Y201 HydrophobicContact CD1-CE2 3.9Å; L199-Y201 HydrophobicContact CG-CE2 4.34Å
202	S	98.1	Very high	97.7	Very high	43 Å²	43	65.1 Å²	65.1	30%	0.301	32%	0.315	S	S	.	.			trans	-68.5	144.6	171.3	-177.8	0	0	0	0	110.3	N160 E204 T207	N160-S202 PolarHBondContact ND2-O 2.92Å; S202-E204 PolarHBondContact OG-N 3.12Å; S202-T207 WeakPolarHBondContact OG-CG2 3.48Å
203	L	98.4	Very high	97.7	Very high	44 Å²	44	66 Å²	66	23%	0.23	32%	0.318	C	S	.	.			trans	-110	11.1	176.1	-67.5	171.5	0	0	0	112.3	F162 A163 K166 L192 T193 A196	F162-L203 HydrophobicContact CB-CD2 4.22Å; A163-L203 HydrophobicContact CB-CD2 4.45Å; K166-L203 HydrophobicContact CB-CD2 4.31Å; K166-L203 HydrophobicContact CD-CB 3.97Å; K166-L203 HydrophobicContact CD-CD1 3.62Å; K166-L203 HydrophobicContact CD-CD2 3.82Å; K166-L203 HydrophobicContact CD-CG 4Å; L192-L203 HydrophobicContact CD2-CD2 3.99Å; T193-L203 HydrophobicContact CG2-CD1 4.07Å; A196-L203 HydrophobicContact CB-CD1 3.99Å; A196-L203 HydrophobicContact CB-CD2 3.68Å; A196-L203 HydrophobicContact CB-CG 3.96Å
204	E	97	Very high	97.7	Very high	106 Å²	106	67 Å²	67	50%	0.495	32%	0.322	S	S	.	.			trans	-73.9	147.2	177.4	-61.7	-178.5	161.6	0	0	111.7	G158 S202 R206 T207	G158-E204 WeakPolarHBondContact CA-O 3.42Å; S202-E204 PolarHBondContact OG-N 3.12Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.07Å; E204-T207 HydrophobicContact CB-CG2 4.19Å
205	Q	95.3	Very high	97.7	Very high	97 Å²	97	72.3 Å²	72.3	45%	0.453	34%	0.344	S	S	.	.	S	Bend	trans	-66.1	-33.2	173.5	-173.6	179.9	1.8	0	0	113.2	P156 G158 L167 M210	P156-Q205 PolarHBondContact O-NE2 2.79Å; G158-Q205 WeakPolarHBondContact CA-O 3.35Å; G158-Q205 PolarHBondContact N-O 2.89Å; L167-Q205 HydrophobicContact CD1-CB 3.86Å; L167-Q205 HydrophobicContact CD1-CG 4.07Å; L167-Q205 HydrophobicContact CD2-CB 4.02Å; Q205-M210 WeakPolarHBondContact O-CE 3.11Å
206	R	96.5	Very high	97.7	Very high	112 Å²	112	78.3 Å²	78.3	42%	0.423	37%	0.367	S	S	.	.	S	Bend	trans	-138.2	98.5	179.7	-75.6	-164.9	176.5	-127.9	1	111	E204 M210 K211 D214	E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.07Å; R206-M210 HydrophobicContact CG-CE 4.17Å; R206-K211 WeakPolarHBondContact O-CE 3.36Å; R206-D214 IonicContact NH1-OD2 3.06Å; R206-D214 PolarHBondContact NH1-OD2 3.11Å
207	T	97.8	Very high	97.7	Very high	6 Å²	6	80 Å²	80	4%	0.037	38%	0.378	C	S	.	.			trans	-78.4	171.1	-179.8	65.2	0	0	0	0	112.5	D159 S202 E204 K209 M210 K211	D159-T207 HydrophobicContact CB-CG2 3.9Å; D159-T207 WeakPolarHBondContact CB-OG1 3.5Å; D159-T207 WeakPolarHBondContact OD2-CB 3.31Å; D159-T207 WeakPolarHBondContact OD2-CG2 3.28Å; D159-T207 PolarHBondContact OD2-OG1 3.16Å; S202-T207 WeakPolarHBondContact OG-CG2 3.48Å; E204-T207 HydrophobicContact CB-CG2 4.19Å; T207-K209 VanDerWaalsContact C-N 3.32Å; T207-K209 PolarHBondContact O-N 3.29Å; T207-K209 WeakPolarHBondContact OG1-CG 3.08Å; T207-M210 PolarHBondContact O-N 3.19Å; T207-K211 WeakPolarHBondContact O-CG 3.33Å; T207-K211 PolarHBondContact O-N 2.83Å; T207-K211 VanDerWaalsContact O-N 3.11Å
208	M	97.8	Very high	97.8	Very high	119 Å²	119	74.3 Å²	74.3	59%	0.586	36%	0.36	S	S	*	.	H	α-helix	trans	-62	-36.6	177.6	-69.8	-59.5	-64.5	0	0	113	M210 K211 Q212	M208-M210 VanDerWaalsContact C-N 3.34Å; M208-M210 PolarHBondContact O-N 3.41Å; M208-K211 PolarHBondContact O-N 2.82Å; M208-K211 HydrophobicContact SD-CD 4.16Å; M208-Q212 VanDerWaalsContact O-CG 3.3Å; M208-Q212 WeakPolarHBondContact O-CG 3.45Å; M208-Q212 PolarHBondContact O-N 3.25Å
209	K	97	Very high	97.8	Very high	100 Å²	100	68.9 Å²	68.9	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-38.1	176.9	71	-177.4	-153.1	-142.6	0	111.7	D159 T207 Q212 R213	D159-K209 VanDerWaalsContact CB-CE 3.46Å; D159-K209 VanDerWaalsContact CG-CE 3.42Å; D159-K209 PolarHBondContact O-NZ 3.05Å; D159-K209 IonicContact OD1-NZ 3.85Å; D159-K209 VanDerWaalsContact OD2-CD 3.26Å; D159-K209 WeakPolarHBondContact OD2-CD 3.5Å; D159-K209 WeakPolarHBondContact OD2-CE 3.25Å; D159-K209 IonicContact OD2-NZ 3.63Å; D159-K209 PolarHBondContact OD2-NZ 2.84Å; T207-K209 VanDerWaalsContact C-N 3.32Å; T207-K209 PolarHBondContact O-N 3.29Å; T207-K209 WeakPolarHBondContact OG1-CG 3.08Å; K209-Q212 PolarHBondContact O-N 3.43Å; K209-R213 PolarHBondContact O-N 2.74Å
210	M	98.4	Very high	97.9	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.02	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-45.3	174.3	-63.3	170.5	68.9	0	0	111.5	Y142 P156 D159 Q205 R206 T207 M208 Q212 R213 D214	Y142-M210 HydrophobicContact CD1-CE 4.46Å; Y142-M210 HydrophobicContact CG-CE 4.02Å; P156-M210 HydrophobicContact CB-CE 3.49Å; P156-M210 VanDerWaalsContact CB-CE 3.49Å; D159-M210 HydrophobicContact CB-CG 3.98Å; D159-M210 HydrophobicContact CB-SD 3.66Å; Q205-M210 WeakPolarHBondContact O-CE 3.11Å; R206-M210 HydrophobicContact CG-CE 4.17Å; T207-M210 PolarHBondContact O-N 3.19Å; M208-M210 VanDerWaalsContact C-N 3.34Å; M208-M210 PolarHBondContact O-N 3.41Å; M210-Q212 VanDerWaalsContact C-N 3.27Å; M210-Q212 PolarHBondContact O-N 3.05Å; M210-R213 WeakPolarHBondContact O-CB 3.21Å; M210-R213 PolarHBondContact O-N 2.91Å; M210-R213 VanDerWaalsContact O-N 3.16Å; M210-D214 PolarHBondContact O-N 3.39Å
211	K	98.1	Very high	98	Very high	97 Å²	97	72.3 Å²	72.3	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-31.5	176.5	-66	172	-172.1	167.5	0	112.6	R206 T207 M208	R206-K211 WeakPolarHBondContact O-CE 3.36Å; T207-K211 WeakPolarHBondContact O-CG 3.33Å; T207-K211 PolarHBondContact O-N 2.83Å; T207-K211 VanDerWaalsContact O-N 3.11Å; M208-K211 PolarHBondContact O-N 2.82Å; M208-K211 HydrophobicContact SD-CD 4.16Å
212	Q	98.3	Very high	98	Very high	116 Å²	116	71.7 Å²	71.7	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-70.7	-40.4	173.5	-74.4	172.2	-2.3	0	0	111.5	M208 K209 M210 D214 K215	M208-Q212 VanDerWaalsContact O-CG 3.3Å; M208-Q212 WeakPolarHBondContact O-CG 3.45Å; M208-Q212 PolarHBondContact O-N 3.25Å; K209-Q212 PolarHBondContact O-N 3.43Å; M210-Q212 VanDerWaalsContact C-N 3.27Å; M210-Q212 PolarHBondContact O-N 3.05Å; Q212-D214 VanDerWaalsContact C-N 3.35Å; Q212-K215 WeakPolarHBondContact O-CB 3.13Å; Q212-K215 PolarHBondContact O-N 3.41Å
213	R	98.4	Very high	98	Very high	19 Å²	19	69.6 Å²	69.6	7%	0.072	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-42	172.3	-176.5	-88.6	-176.6	-169.4	-0.9	111.3	D134 V141 K209 M210 K215 K216 V217 A225 G226 V228	D134-R213 IonicContact OD1-CZ 3.9Å; D134-R213 IonicContact OD1-NE 2.96Å; D134-R213 IonicContact OD1-NH2 2.84Å; D134-R213 PolarHBondContact OD1-NH2 2.95Å; D134-R213 IonicContact OD2-CZ 2.63Å; D134-R213 IonicContact OD2-NE 3.01Å; D134-R213 PolarHBondContact OD2-NE 3.2Å; D134-R213 IonicContact OD2-NH2 3.16Å; V141-R213 HydrophobicContact CB-CG 4.44Å; V141-R213 HydrophobicContact CG1-CG 4.3Å; K209-R213 PolarHBondContact O-N 2.74Å; M210-R213 WeakPolarHBondContact O-CB 3.21Å; M210-R213 PolarHBondContact O-N 2.91Å; M210-R213 VanDerWaalsContact O-N 3.16Å; R213-K215 PolarHBondContact O-N 2.98Å; R213-K215 VanDerWaalsContact O-N 3.09Å; R213-K216 WeakPolarHBondContact O-CA 3.26Å; R213-K216 WeakPolarHBondContact O-CB 3.34Å; R213-K216 PolarHBondContact O-N 3.13Å; R213-V217 PolarHBondContact O-N 2.91Å; R213-A225 PolarHBondContact NH1-O 2.96Å; R213-A225 PolarHBondContact NH2-O 3.25Å; R213-G226 PolarHBondContact NH2-O 3.35Å; R213-V228 HydrophobicContact CG-CG2 4.3Å
214	D	98.2	Very high	98.1	Very high	63 Å²	63	69.4 Å²	69.4	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-55.4	-28.5	177.1	-73.8	-16.5	0	0	0	112.9	R206 M210 Q212 K216 V217	R206-D214 IonicContact NH1-OD2 3.06Å; R206-D214 PolarHBondContact NH1-OD2 3.11Å; M210-D214 PolarHBondContact O-N 3.39Å; Q212-D214 VanDerWaalsContact C-N 3.35Å; D214-K216 VanDerWaalsContact C-N 3.28Å; D214-K216 PolarHBondContact O-N 3.09Å; D214-V217 WeakPolarHBondContact O-CB 2.92Å; D214-V217 PolarHBondContact O-N 3.11Å
215	K	98.3	Very high	98.1	Very high	177 Å²	177	64.5 Å²	64.5	77%	0.77	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.6	175.1	-62.6	178	-178.7	-175.2	0	114	Q212 R213	Q212-K215 WeakPolarHBondContact O-CB 3.13Å; Q212-K215 PolarHBondContact O-N 3.41Å; R213-K215 PolarHBondContact O-N 2.98Å; R213-K215 VanDerWaalsContact O-N 3.09Å
216	K	98.4	Very high	98.3	Very high	142 Å²	142	60 Å²	60	62%	0.617	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-3	177.1	-56.8	-177.9	179.9	-178.9	0	112.3	R213 D214 V218 V228	R213-K216 WeakPolarHBondContact O-CA 3.26Å; R213-K216 WeakPolarHBondContact O-CB 3.34Å; R213-K216 PolarHBondContact O-N 3.13Å; D214-K216 VanDerWaalsContact C-N 3.28Å; D214-K216 PolarHBondContact O-N 3.09Å; K216-V218 PolarHBondContact O-N 3.13Å; K216-V228 HydrophobicContact CB-CG1 4.06Å; K216-V228 HydrophobicContact CB-CG2 4.34Å
217	V	98.8	Very high	98.4	Very high	37 Å²	37	54.7 Å²	54.7	22%	0.224	27%	0.267	C	S	.	.			trans	-73.5	120.7	179.5	175.2	0	0	0	0	108.8	R213 D214 T219 L227 V228	R213-V217 PolarHBondContact O-N 2.91Å; D214-V217 WeakPolarHBondContact O-CB 2.92Å; D214-V217 PolarHBondContact O-N 3.11Å; V217-T219 WeakPolarHBondContact CG1-O 3.36Å; V217-L227 CarbonylContact C-O 3.26Å; V217-L227 VanDerWaalsContact CA-O 3.29Å; V217-L227 WeakPolarHBondContact CA-O 3.46Å; V217-V228 HydrophobicContact CG2-CG2 4.17Å
218	V	98.7	Very high	98.4	Very high	41 Å²	41	55.5 Å²	55.5	25%	0.248	27%	0.271	C	S	.	.	S	Bend	trans	-86.9	-31.7	-178.6	-61	0	0	0	0	112.4	K216 L227 V229 V231 Y238	K216-V218 PolarHBondContact O-N 3.13Å; V218-L227 HydrophobicContact CG2-CB 4.26Å; V218-L227 PolarHBondContact N-O 3.3Å; V218-V229 HydrophobicContact CG1-CG2 4.21Å; V218-V229 HydrophobicContact CG2-CG2 3.99Å; V218-V231 HydrophobicContact CG1-CG2 3.89Å; V218-Y238 HydrophobicContact CB-CD1 3.8Å; V218-Y238 HydrophobicContact CB-CD2 4.16Å; V218-Y238 HydrophobicContact CB-CE1 4.16Å; V218-Y238 HydrophobicContact CB-CE2 4.49Å; V218-Y238 HydrophobicContact CB-CG 3.79Å; V218-Y238 HydrophobicContact CG1-CG 4.4Å; V218-Y238 HydrophobicContact CG2-CD1 4.22Å; V218-Y238 HydrophobicContact CG2-CD2 3.63Å; V218-Y238 HydrophobicContact CG2-CE2 4Å; V218-Y238 HydrophobicContact CG2-CG 3.75Å
219	T	98.8	Very high	98.5	Very high	19 Å²	19	50.3 Å²	50.3	12%	0.117	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-152.1	157.2	173.7	-179.5	0	0	0	0	110	V217 T221 G226 L227 Y238 E292	V217-T219 WeakPolarHBondContact CG1-O 3.36Å; T219-T221 HydrophobicContact CG2-CG2 3.99Å; T219-T221 PolarHBondContact OG1-N 3.06Å; T219-G226 CarbonylContact O-C 3.32Å; T219-G226 WeakPolarHBondContact O-CA 3.5Å; T219-L227 HydrophobicContact CG2-CB 4.13Å; T219-L227 HydrophobicContact CG2-CD1 3.84Å; T219-L227 HydrophobicContact CG2-CG 4.14Å; T219-L227 PolarHBondContact O-N 2.93Å; T219-Y238 WeakPolarHBondContact CB-OH 3.17Å; T219-Y238 HydrophobicContact CG2-CE2 3.98Å; T219-E292 VanDerWaalsContact CB-OE1 3.24Å; T219-E292 WeakPolarHBondContact CB-OE1 3.33Å; T219-E292 HydrophobicContact CG2-CB 4.16Å; T219-E292 HydrophobicContact CG2-CG 3.93Å; T219-E292 WeakPolarHBondContact CG2-OE1 3.31Å; T219-E292 PolarHBondContact OG1-OE1 3.44Å
220	K	98.6	Very high	98.5	Very high	145 Å²	145	50.1 Å²	50.1	63%	0.63	26%	0.255	S	S	*	.			trans	-84	-28.8	177.7	-76.2	-176	-178.8	172.4	0	113.5	G224 G226	K220-G224 WeakPolarHBondContact O-CA 3.35Å; K220-G224 PolarHBondContact O-N 3.07Å; K220-G226 WeakPolarHBondContact O-CA 3.46Å; K220-G226 PolarHBondContact O-N 3.22Å; K220-G226 VanDerWaalsContact O-N 3.14Å
221	T	98.7	Very high	98.5	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.025	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	179.6	-164.6	77	0	0	0	0	112.4	T219 H223 G224 L227 E292 M295 D296	T219-T221 HydrophobicContact CG2-CG2 3.99Å; T219-T221 PolarHBondContact OG1-N 3.06Å; T221-H223 VanDerWaalsContact C-N 3.3Å; T221-H223 PolarHBondContact O-N 2.77Å; T221-H223 PolarHBondContact OG1-CE1 3.21Å; T221-H223 PolarHBondContact OG1-ND1 2.91Å; T221-H223 PolarHBondContact OG1-NE2 2.99Å; T221-G224 PolarHBondContact O-N 3.4Å; T221-L227 HydrophobicContact CG2-CD1 3.64Å; T221-L227 HydrophobicContact CG2-CD2 4.29Å; T221-L227 HydrophobicContact CG2-CG 3.59Å; T221-E292 HydrophobicContact CG2-CG 4.33Å; T221-M295 HydrophobicContact CG2-CB 4.43Å; T221-M295 HydrophobicContact CG2-CG 4.3Å; T221-D296 VanDerWaalsContact CA-OD1 3.28Å; T221-D296 WeakPolarHBondContact CA-OD1 3.47Å; T221-D296 WeakPolarHBondContact CB-OD1 3.47Å
222	F	98.9	Very high	98.4	Very high	14 Å²	14	51.5 Å²	51.5	6%	0.061	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.2	-179.8	-71.6	3.7	0	0	0	114.2	G224 D245 L248 K249 D296 C299 Y300	F222-G224 VanDerWaalsContact C-N 3.32Å; F222-D245 HydrophobicContact CD1-CB 4.38Å; F222-D245 HydrophobicContact CE1-CB 3.88Å; F222-L248 HydrophobicContact CE1-CD2 4.16Å; F222-L248 HydrophobicContact CZ-CB 4.01Å; F222-L248 HydrophobicContact CZ-CD2 3.69Å; F222-L248 HydrophobicContact CZ-CG 3.76Å; F222-K249 HydrophobicContact CD2-CG 4.32Å; F222-K249 HydrophobicContact CE1-CD 4.38Å; F222-K249 HydrophobicContact CE1-CG 4.05Å; F222-K249 HydrophobicContact CE2-CD 4.49Å; F222-K249 HydrophobicContact CE2-CG 3.64Å; F222-K249 HydrophobicContact CZ-CD 4.28Å; F222-K249 HydrophobicContact CZ-CG 3.49Å; F222-K249 VanDerWaalsContact CZ-CG 3.49Å; F222-D296 HydrophobicContact CD1-CB 4.11Å; F222-D296 VanDerWaalsContact CD1-CG 3.48Å; F222-D296 VanDerWaalsContact CD1-OD1 3.28Å; F222-D296 WeakPolarHBondContact CD1-OD1 3.5Å; F222-D296 HydrophobicContact CD2-CB 3.87Å; F222-D296 VanDerWaalsContact CD2-O 3.32Å; F222-D296 WeakPolarHBondContact CD2-O 3.45Å; F222-D296 HydrophobicContact CE1-CB 4.05Å; F222-D296 HydrophobicContact CE2-CB 3.82Å; F222-D296 HydrophobicContact CG-CB 4.02Å; F222-D296 WeakPolarHBondContact CG-OD1 3.27Å; F222-D296 HydrophobicContact CZ-CB 3.91Å; F222-D296 PolarHBondContact N-OD1 3.29Å; F222-C299 HydrophobicContact CB-CB 3.68Å; F222-C299 HydrophobicContact CD2-CB 4.35Å; F222-Y300 HydrophobicContact CE2-CD2 4.33Å
223	H	98.7	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.9	179.4	58.2	47.8	0	0	0	113.4	C152 I153 I154 T221 A225 M295 C299	C152-H223 WeakPolarHBondContact O-CA 3.32Å; C152-H223 WeakPolarHBondContact O-CB 3.38Å; I153-H223 WeakPolarHBondContact CA-O 3.26Å; I154-H223 HydrophobicContact CD1-CB 4.24Å; I154-H223 HydrophobicContact CG1-CB 4.33Å; I154-H223 PolarHBondContact N-O 3.38Å; T221-H223 VanDerWaalsContact C-N 3.3Å; T221-H223 PolarHBondContact O-N 2.77Å; T221-H223 PolarHBondContact OG1-CE1 3.21Å; T221-H223 PolarHBondContact OG1-ND1 2.91Å; T221-H223 PolarHBondContact OG1-NE2 2.99Å; H223-A225 PolarHBondContact ND1-N 3.5Å; H223-A225 PolarHBondContact O-N 3.43Å; H223-A225 VanDerWaalsContact O-N 3.11Å; H223-M295 WeakPolarHBondContact NE2-CG 3.29Å; H223-C299 VanDerWaalsContact CD2-SG 3.54Å
224	G	98.7	Very high	98.3	Very high	39 Å²	39	60.3 Å²	60.3	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	76.8	-11.4	174.1	0	0	0	0	0	116.5	K220 T221 F222 G226	K220-G224 WeakPolarHBondContact O-CA 3.35Å; K220-G224 PolarHBondContact O-N 3.07Å; T221-G224 PolarHBondContact O-N 3.4Å; F222-G224 VanDerWaalsContact C-N 3.32Å; G224-G226 PolarHBondContact O-N 3.48Å
225	A	98.5	Very high	98.2	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.033	33%	0.329	C	S	.	.	S	Bend	trans	-65.3	-23.5	172.6	0	0	0	0	0	113.9	F132 Y142 I154 R213 H223	F132-A225 HydrophobicContact CD2-CB 4.16Å; F132-A225 HydrophobicContact CE1-CB 4.49Å; F132-A225 HydrophobicContact CE2-CB 3.54Å; F132-A225 HydrophobicContact CZ-CB 3.74Å; Y142-A225 WeakPolarHBondContact OH-CB 3.48Å; I154-A225 HydrophobicContact CB-CB 4.06Å; I154-A225 HydrophobicContact CD1-CB 4.41Å; I154-A225 HydrophobicContact CG2-CB 4.24Å; R213-A225 PolarHBondContact NH1-O 2.96Å; R213-A225 PolarHBondContact NH2-O 3.25Å; H223-A225 PolarHBondContact ND1-N 3.5Å; H223-A225 PolarHBondContact O-N 3.43Å; H223-A225 VanDerWaalsContact O-N 3.11Å
226	G	98.6	Very high	98.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	31%	0.308	C	S	.	.			trans	74.9	153.8	177.1	0	0	0	0	0	116.1	R213 T219 K220 G224	R213-G226 PolarHBondContact NH2-O 3.35Å; T219-G226 CarbonylContact O-C 3.32Å; T219-G226 WeakPolarHBondContact O-CA 3.5Å; K220-G226 WeakPolarHBondContact O-CA 3.46Å; K220-G226 PolarHBondContact O-N 3.22Å; K220-G226 VanDerWaalsContact O-N 3.14Å; G224-G226 PolarHBondContact O-N 3.48Å
227	L	98.8	Very high	98.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-101.6	139	179	-63.4	178.2	0	0	0	111	V217 V218 T219 T221 L291 E292	V217-L227 CarbonylContact C-O 3.26Å; V217-L227 VanDerWaalsContact CA-O 3.29Å; V217-L227 WeakPolarHBondContact CA-O 3.46Å; V218-L227 HydrophobicContact CG2-CB 4.26Å; V218-L227 PolarHBondContact N-O 3.3Å; T219-L227 HydrophobicContact CG2-CB 4.13Å; T219-L227 HydrophobicContact CG2-CD1 3.84Å; T219-L227 HydrophobicContact CG2-CG 4.14Å; T219-L227 PolarHBondContact O-N 2.93Å; T221-L227 HydrophobicContact CG2-CD1 3.64Å; T221-L227 HydrophobicContact CG2-CD2 4.29Å; T221-L227 HydrophobicContact CG2-CG 3.59Å; L227-L291 HydrophobicContact CD1-CB 4.32Å; L227-L291 HydrophobicContact CD1-CD2 4.03Å; L227-L291 HydrophobicContact CD1-CG 3.84Å; L227-L291 HydrophobicContact CD2-CD2 3.96Å; L227-L291 HydrophobicContact CD2-CG 4.17Å; L227-L291 HydrophobicContact CG-CD2 4.48Å; L227-E292 HydrophobicContact CD1-CB 4.03Å
228	V	98.8	Very high	98.1	Very high	22 Å²	22	51.1 Å²	51.1	13%	0.133	28%	0.278	C	S	.	.			trans	-116.7	121.9	167.2	179.2	0	0	0	0	107.1	D134 R213 K216 V217 R322	D134-V228 HydrophobicContact CB-CB 4.17Å; D134-V228 WeakPolarHBondContact OD2-CG2 3.49Å; R213-V228 HydrophobicContact CG-CG2 4.3Å; K216-V228 HydrophobicContact CB-CG1 4.06Å; K216-V228 HydrophobicContact CB-CG2 4.34Å; V217-V228 HydrophobicContact CG2-CG2 4.17Å; V228-R322 PolarHBondContact O-NH1 3.24Å; V228-R322 PolarHBondContact O-NH2 3.18Å
229	V	98.6	Very high	98.1	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	28%	0.282	C	S	.	.			trans	-129.5	156.7	173.6	-61.6	0	0	0	0	109	V218 V231 L291 L320	V218-V229 HydrophobicContact CG1-CG2 4.21Å; V218-V229 HydrophobicContact CG2-CG2 3.99Å; V229-V231 HydrophobicContact CG2-CG2 4.2Å; V229-V231 PolarHBondContact O-N 3.48Å; V229-L291 HydrophobicContact CG1-CD2 4.1Å; V229-L320 HydrophobicContact CB-CD2 4.1Å; V229-L320 HydrophobicContact CG1-CD1 3.94Å; V229-L320 HydrophobicContact CG1-CD2 4.07Å
230	P	98.2	Very high	98.1	Very high	96 Å²	96	59.6 Å²	59.6	62%	0.623	31%	0.31	S	S	*	.			trans	-61.2	124.3	171.9	-19.3	32.8	0	0	0	109.7	G237	P230-G237 WeakPolarHBondContact O-CA 3.41Å
231	V	97.9	Very high	98.1	Very high	61 Å²	61	53.6 Å²	53.6	37%	0.37	28%	0.284	S	S	.	.			trans	-121.5	124.8	170.5	-179.8	0	0	0	0	107.1	V218 V229 V236	V218-V231 HydrophobicContact CG1-CG2 3.89Å; V229-V231 HydrophobicContact CG2-CG2 4.2Å; V229-V231 PolarHBondContact O-N 3.48Å; V231-V236 CarbonylContact C-O 3.58Å; V231-V236 WeakPolarHBondContact CA-O 3.12Å
232	D	96.6	Very high	98	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	31%	0.305	S	S	.	.			trans	-80.6	-177.2	-179.7	90.4	-11.5	0	0	0	111.9	N234 D235 V236	D232-N234 PolarHBondContact O-N 3.07Å; D232-N234 VanDerWaalsContact OD1-CA 3.31Å; D232-N234 WeakPolarHBondContact OD1-CA 3.38Å; D232-N234 WeakPolarHBondContact OD1-CB 3.44Å; D232-N234 PolarHBondContact OD1-N 2.77Å; D232-N234 PolarHBondContact OD2-ND2 2.73Å; D232-D235 PolarHBondContact O-N 2.85Å; D232-D235 PolarHBondContact OD1-N 2.94Å; D232-V236 PolarHBondContact N-O 3.36Å; D232-V236 WeakPolarHBondContact OD1-CB 3.42Å; D232-V236 PolarHBondContact OD1-N 3.15Å
233	K	96.8	Very high	98	Very high	200 Å²	200	59.7 Å²	59.7	87%	0.87	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.8	-178.4	33.5	174.5	168.9	174	0	114.1
234	N	96.2	Very high	98	Very high	119 Å²	119	63.5 Å²	63.5	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	15.6	175.8	-44.6	-67.4	0	0	0	111.3	D232 V236	D232-N234 PolarHBondContact O-N 3.07Å; D232-N234 VanDerWaalsContact OD1-CA 3.31Å; D232-N234 WeakPolarHBondContact OD1-CA 3.38Å; D232-N234 WeakPolarHBondContact OD1-CB 3.44Å; D232-N234 PolarHBondContact OD1-N 2.77Å; D232-N234 PolarHBondContact OD2-ND2 2.73Å; N234-V236 HydrophobicContact CB-CG2 4.3Å; N234-V236 PolarHBondContact O-N 3.01Å
235	D	96	Very high	98	Very high	129 Å²	129	64.6 Å²	64.6	69%	0.69	34%	0.339	S	S	*	.	S	Bend	trans	62.5	21.4	-175.3	-60.3	-35.9	0	0	0	114.6	D232	D232-D235 PolarHBondContact O-N 2.85Å; D232-D235 PolarHBondContact OD1-N 2.94Å
236	V	98	Very high	98	Very high	56 Å²	56	67.3 Å²	67.3	34%	0.339	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	125.1	174.8	-179.4	0	0	0	0	110.1	V231 D232 N234 C285	V231-V236 CarbonylContact C-O 3.58Å; V231-V236 WeakPolarHBondContact CA-O 3.12Å; D232-V236 PolarHBondContact N-O 3.36Å; D232-V236 WeakPolarHBondContact OD1-CB 3.42Å; D232-V236 PolarHBondContact OD1-N 3.15Å; N234-V236 HydrophobicContact CB-CG2 4.3Å; N234-V236 PolarHBondContact O-N 3.01Å; V236-C285 HydrophobicContact CG1-CB 3.85Å
237	G	97.9	Very high	98	Very high	6 Å²	6	69.2 Å²	69.2	6%	0.062	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	147.1	-23.8	177.1	0	0	0	0	0	113.6	P230 D286 Y287 G288	P230-G237 WeakPolarHBondContact O-CA 3.41Å; G237-D286 WeakPolarHBondContact CA-OD1 3.47Å; G237-D286 PolarHBondContact N-OD1 2.97Å; G237-D286 CarbonylContact O-C 3.6Å; G237-Y287 PolarHBondContact O-N 3.46Å; G237-G288 PolarHBondContact O-N 2.87Å; G237-G288 VanDerWaalsContact O-N 3.08Å
238	Y	98.7	Very high	98	Very high	36 Å²	36	69.1 Å²	69.1	14%	0.141	37%	0.371	C	S	.	.			trans	-153.5	138.7	-179.2	171.8	-96.2	0	0	0	111.6	V218 T219 E240 D286 E292	V218-Y238 HydrophobicContact CB-CD1 3.8Å; V218-Y238 HydrophobicContact CB-CD2 4.16Å; V218-Y238 HydrophobicContact CB-CE1 4.16Å; V218-Y238 HydrophobicContact CB-CE2 4.49Å; V218-Y238 HydrophobicContact CB-CG 3.79Å; V218-Y238 HydrophobicContact CG1-CG 4.4Å; V218-Y238 HydrophobicContact CG2-CD1 4.22Å; V218-Y238 HydrophobicContact CG2-CD2 3.63Å; V218-Y238 HydrophobicContact CG2-CE2 4Å; V218-Y238 HydrophobicContact CG2-CG 3.75Å; T219-Y238 WeakPolarHBondContact CB-OH 3.17Å; T219-Y238 HydrophobicContact CG2-CE2 3.98Å; Y238-E240 HydrophobicContact CE1-CG 3.96Å; Y238-D286 PolarHBondContact N-OD1 3.18Å; Y238-D286 VanDerWaalsContact N-OD1 3.13Å; Y238-E292 WeakPolarHBondContact CE2-OE2 3.47Å; Y238-E292 PolarHBondContact OH-OE2 3.21Å; Y238-E292 VanDerWaalsContact OH-OE2 3.05Å
239	R	98.1	Very high	98	Very high	86 Å²	86	72.3 Å²	72.3	33%	0.325	38%	0.383	S	S	.	.			trans	-135.6	150.1	164.5	65.8	179.9	62.7	174.1	-4.1	109.7	A281 E284 D286 M289	R239-A281 HydrophobicContact CG-CB 4.18Å; R239-E284 IonicContact CZ-OE2 2.57Å; R239-E284 IonicContact NH1-OE2 2.77Å; R239-E284 PolarHBondContact NH1-OE2 3.41Å; R239-E284 IonicContact NH2-OE2 3.94Å; R239-E284 PolarHBondContact NH2-OE2 3.29Å; R239-D286 HydrophobicContact CG-CB 4.06Å; R239-D286 IonicContact CZ-OD2 3.13Å; R239-D286 IonicContact NE-OD2 2.71Å; R239-D286 PolarHBondContact NE-OD2 3.34Å; R239-D286 IonicContact NH2-OD2 2.66Å; R239-D286 PolarHBondContact NH2-OD2 3.25Å; R239-M289 HydrophobicContact CG-CB 3.98Å; R239-M289 HydrophobicContact CG-CG 4.11Å; R239-M289 HydrophobicContact CG-SD 3.72Å; R239-M289 WeakPolarHBondContact O-CB 3.41Å; R239-M289 WeakPolarHBondContact O-CG 3.3Å
240	E	98.3	Very high	98	Very high	152 Å²	152	79.2 Å²	79.2	71%	0.71	41%	0.408	S	S	*	.			trans	-68.2	153.6	-178	-62	-179.7	160.2	0	0	112.2	Y238	Y238-E240 HydrophobicContact CE1-CG 3.96Å
241	L	98.6	Very high	98	Very high	18 Å²	18	75.8 Å²	75.8	9%	0.094	38%	0.384	C	S	.	.			trans	-63.5	150.1	166.4	-59.2	-178.1	0	0	0	110.8	E243 L248 M289 E292 L293	L241-E243 PolarHBondContact O-N 3.06Å; L241-L248 HydrophobicContact CD1-CD2 3.9Å; L241-M289 HydrophobicContact CD2-CE 4.03Å; L241-M289 HydrophobicContact CD2-CG 3.79Å; L241-E292 HydrophobicContact CD1-CG 3.95Å; L241-E292 HydrophobicContact CG-CG 4.21Å; L241-L293 HydrophobicContact CD1-CB 4.37Å; L241-L293 HydrophobicContact CD1-CD1 4.26Å; L241-L293 HydrophobicContact CD2-CB 3.85Å
242	P	98.1	Very high	98.1	Very high	71 Å²	71	72.9 Å²	72.9	46%	0.461	37%	0.367	S	S	.	.	S	Bend	trans	-69.3	-11.5	176.4	31.4	-38.5	0	0	0	113.4	M274 F277	P242-M274 HydrophobicContact CG-CG 3.52Å; P242-M274 HydrophobicContact CG-SD 4.09Å; P242-F277 HydrophobicContact CG-CD2 4.01Å; P242-F277 HydrophobicContact CG-CE2 4.29Å
243	E	98.3	Very high	98.2	Very high	75 Å²	75	74.1 Å²	74.1	35%	0.35	37%	0.369	S	S	.	.	S	Bend	trans	-116.8	145.3	-177.7	-66.2	-67	171.5	0	0	110.4	L241 D247 I251 M274	L241-E243 PolarHBondContact O-N 3.06Å; E243-D247 WeakPolarHBondContact OE2-CB 3.46Å; E243-I251 HydrophobicContact CG-CD1 3.89Å; E243-M274 HydrophobicContact CB-SD 4.3Å; E243-M274 HydrophobicContact CG-CE 4.34Å; E243-M274 HydrophobicContact CG-SD 4.03Å
244	T	98.5	Very high	98.2	Very high	80 Å²	80	67.1 Å²	67.1	49%	0.491	35%	0.348	S	S	.	.			trans	-72.4	158.8	172	75.1	0	0	0	0	111	A246 D247 L248	T244-A246 PolarHBondContact O-N 2.62Å; T244-A246 VanDerWaalsContact O-N 3.07Å; T244-A246 PolarHBondContact OG1-N 3.29Å; T244-D247 PolarHBondContact O-N 3.4Å; T244-D247 VanDerWaalsContact OG1-CG 3.32Å; T244-D247 PolarHBondContact OG1-N 3.22Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; T244-L248 PolarHBondContact O-N 3.42Å
245	D	98.4	Very high	98.4	Very high	63 Å²	63	61.5 Å²	61.5	34%	0.337	32%	0.318	S	S	.	.	H	α-helix	trans	-50.4	-38	173.8	-71.5	23.5	0	0	0	113.5	F222 K249	F222-D245 HydrophobicContact CD1-CB 4.38Å; F222-D245 HydrophobicContact CE1-CB 3.88Å; D245-K249 WeakPolarHBondContact O-CB 3.38Å; D245-K249 WeakPolarHBondContact O-CD 3.36Å; D245-K249 VanDerWaalsContact O-CG 3.23Å; D245-K249 WeakPolarHBondContact O-CG 3.29Å; D245-K249 PolarHBondContact O-N 3.14Å
246	A	98.5	Very high	98.5	Very high	60 Å²	60	57.5 Å²	57.5	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-39.2	-178	0	0	0	0	0	111.5	T244 R250	T244-A246 PolarHBondContact O-N 2.62Å; T244-A246 VanDerWaalsContact O-N 3.07Å; T244-A246 PolarHBondContact OG1-N 3.29Å; A246-R250 PolarHBondContact O-N 3.04Å; A246-R250 VanDerWaalsContact O-N 3.15Å
247	D	98.6	Very high	98.5	Very high	41 Å²	41	60.8 Å²	60.8	22%	0.219	31%	0.31	C	S	.	.	H	α-helix	trans	-74.2	-41.1	177.7	-60.8	-44.1	0	0	0	110.9	E243 T244 K249 R250 I251	E243-D247 WeakPolarHBondContact OE2-CB 3.46Å; T244-D247 PolarHBondContact O-N 3.4Å; T244-D247 VanDerWaalsContact OG1-CG 3.32Å; T244-D247 PolarHBondContact OG1-N 3.22Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; D247-K249 VanDerWaalsContact C-N 3.34Å; D247-K249 PolarHBondContact O-N 3.14Å; D247-R250 CarbonylContact O-C 3.44Å; D247-R250 WeakPolarHBondContact O-CA 3.49Å; D247-R250 VanDerWaalsContact O-CB 3.27Å; D247-R250 WeakPolarHBondContact O-CB 3.46Å; D247-R250 PolarHBondContact O-N 2.89Å; D247-R250 IonicContact OD1-CZ 3.11Å; D247-R250 IonicContact OD1-NH1 2.69Å; D247-R250 PolarHBondContact OD1-NH1 3.13Å; D247-R250 IonicContact OD1-NH2 2.79Å; D247-R250 PolarHBondContact OD1-NH2 3.44Å; D247-I251 WeakPolarHBondContact O-CG1 3.49Å; D247-I251 PolarHBondContact O-N 2.84Å
248	L	98.8	Very high	98.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-42.8	172.5	-177.2	60.5	0	0	0	111.7	F222 L241 T244 R250 I251 C252 I271 M274 L293 D296	F222-L248 HydrophobicContact CE1-CD2 4.16Å; F222-L248 HydrophobicContact CZ-CB 4.01Å; F222-L248 HydrophobicContact CZ-CD2 3.69Å; F222-L248 HydrophobicContact CZ-CG 3.76Å; L241-L248 HydrophobicContact CD1-CD2 3.9Å; T244-L248 PolarHBondContact O-N 3.42Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.91Å; L248-I251 PolarHBondContact O-N 3.46Å; L248-C252 WeakPolarHBondContact O-CB 3.21Å; L248-C252 PolarHBondContact O-N 3.05Å; L248-C252 PolarHBondContact O-SG 3.2Å; L248-I271 HydrophobicContact CD1-CD1 4.09Å; L248-M274 HydrophobicContact CD1-CE 3.76Å; L248-M274 HydrophobicContact CD1-SD 4.28Å; L248-L293 HydrophobicContact CD1-CD1 4.25Å; L248-L293 HydrophobicContact CD2-CD1 4.28Å; L248-D296 HydrophobicContact CD2-CB 3.79Å
249	K	98.7	Very high	98.4	Very high	88 Å²	88	63.9 Å²	63.9	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-35.9	172.1	-78.1	168.4	-175.2	158.7	0	112.4	F222 D245 D247 K253	F222-K249 HydrophobicContact CD2-CG 4.32Å; F222-K249 HydrophobicContact CE1-CD 4.38Å; F222-K249 HydrophobicContact CE1-CG 4.05Å; F222-K249 HydrophobicContact CE2-CD 4.49Å; F222-K249 HydrophobicContact CE2-CG 3.64Å; F222-K249 HydrophobicContact CZ-CD 4.28Å; F222-K249 HydrophobicContact CZ-CG 3.49Å; F222-K249 VanDerWaalsContact CZ-CG 3.49Å; D245-K249 WeakPolarHBondContact O-CB 3.38Å; D245-K249 WeakPolarHBondContact O-CD 3.36Å; D245-K249 VanDerWaalsContact O-CG 3.23Å; D245-K249 WeakPolarHBondContact O-CG 3.29Å; D245-K249 PolarHBondContact O-N 3.14Å; D247-K249 VanDerWaalsContact C-N 3.34Å; D247-K249 PolarHBondContact O-N 3.14Å; K249-K253 WeakPolarHBondContact O-CB 3.48Å; K249-K253 PolarHBondContact O-N 2.82Å
250	R	98.8	Very high	98.4	Very high	155 Å²	155	61.9 Å²	61.9	59%	0.585	34%	0.342	S	S	*	.	H	α-helix	trans	-69.3	-42.8	176.9	-164	-174.6	-54.3	122.4	14.8	111.3	A246 D247 L248 K253 A254	A246-R250 PolarHBondContact O-N 3.04Å; A246-R250 VanDerWaalsContact O-N 3.15Å; D247-R250 CarbonylContact O-C 3.44Å; D247-R250 WeakPolarHBondContact O-CA 3.49Å; D247-R250 VanDerWaalsContact O-CB 3.27Å; D247-R250 WeakPolarHBondContact O-CB 3.46Å; D247-R250 PolarHBondContact O-N 2.89Å; D247-R250 IonicContact OD1-CZ 3.11Å; D247-R250 IonicContact OD1-NH1 2.69Å; D247-R250 PolarHBondContact OD1-NH1 3.13Å; D247-R250 IonicContact OD1-NH2 2.79Å; D247-R250 PolarHBondContact OD1-NH2 3.44Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.91Å; R250-K253 PolarHBondContact O-N 3.12Å; R250-A254 PolarHBondContact O-N 3.1Å
251	I	98.8	Very high	98.4	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.128	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-51.2	173.5	-68.2	164.5	0	0	0	109.8	E243 D247 L248 K253 A254 I255 P270 I271 M274	E243-I251 HydrophobicContact CG-CD1 3.89Å; D247-I251 WeakPolarHBondContact O-CG1 3.49Å; D247-I251 PolarHBondContact O-N 2.84Å; L248-I251 PolarHBondContact O-N 3.46Å; I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.12Å; I251-A254 PolarHBondContact O-N 2.91Å; I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 WeakPolarHBondContact O-CG1 3.5Å; I251-I255 PolarHBondContact O-N 2.84Å; I251-I255 VanDerWaalsContact O-N 3.09Å; I251-P270 HydrophobicContact CD1-CB 4Å; I251-P270 HydrophobicContact CG1-CB 4.48Å; I251-P270 HydrophobicContact CG2-CB 4.24Å; I251-I271 HydrophobicContact CG2-CD1 3.94Å; I251-I271 HydrophobicContact CG2-CG1 4.05Å; I251-M274 HydrophobicContact CD1-CE 4.25Å
252	C	98.8	Very high	98.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.7	-41.5	178.1	-68.8	0	0	0	0	112.1	L248 I255 V256 Y300 F305	L248-C252 WeakPolarHBondContact O-CB 3.21Å; L248-C252 PolarHBondContact O-N 3.05Å; L248-C252 PolarHBondContact O-SG 3.2Å; C252-I255 PolarHBondContact O-N 2.93Å; C252-V256 WeakPolarHBondContact O-CG2 3.37Å; C252-V256 PolarHBondContact O-N 2.59Å; C252-Y300 HydrophobicContact CB-CD1 3.95Å; C252-Y300 HydrophobicContact CB-CD2 3.37Å; C252-Y300 HydrophobicContact CB-CE1 3.88Å; C252-Y300 HydrophobicContact CB-CE2 3.29Å; C252-Y300 HydrophobicContact CB-CG 3.7Å; C252-F305 HydrophobicContact CB-CE2 4.01Å; C252-F305 HydrophobicContact CB-CZ 3.89Å
253	K	98.7	Very high	98.2	Very high	96 Å²	96	67 Å²	67	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-46.9	176.2	-176.6	179.4	169.9	68.7	0	111.8	K249 R250 I251 I255 V256 E257 Y300	K249-K253 WeakPolarHBondContact O-CB 3.48Å; K249-K253 PolarHBondContact O-N 2.82Å; R250-K253 PolarHBondContact O-N 3.12Å; I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.12Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 3.45Å; K253-V256 PolarHBondContact O-N 3.27Å; K253-E257 WeakPolarHBondContact CE-OE2 3.49Å; K253-E257 HydrophobicContact CG-CG 4.3Å; K253-E257 WeakPolarHBondContact CG-OE2 3.31Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 PolarHBondContact NZ-OE1 2.84Å; K253-E257 IonicContact NZ-OE2 2.64Å; K253-E257 PolarHBondContact NZ-OE2 3.2Å; K253-E257 WeakPolarHBondContact O-CB 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.38Å; K253-E257 PolarHBondContact O-N 2.82Å; K253-Y300 WeakPolarHBondContact CA-OH 3.46Å; K253-Y300 WeakPolarHBondContact CB-OH 3.21Å; K253-Y300 PolarHBondContact N-OH 3.47Å
254	A	98.6	Very high	98.2	Very high	53 Å²	53	64.5 Å²	64.5	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-39.4	178.2	0	0	0	0	0	112.3	R250 I251 A258	R250-A254 PolarHBondContact O-N 3.1Å; I251-A254 PolarHBondContact O-N 2.91Å; A254-A258 PolarHBondContact O-N 3.21Å; A254-A258 VanDerWaalsContact O-N 3.09Å
255	I	98.7	Very high	98.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-47.2	176.7	-67.7	167.5	0	0	0	111.5	I251 C252 K253 E257 R264 A267 F268 I271 F305	I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 WeakPolarHBondContact O-CG1 3.5Å; I251-I255 PolarHBondContact O-N 2.84Å; I251-I255 VanDerWaalsContact O-N 3.09Å; C252-I255 PolarHBondContact O-N 2.93Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 3.45Å; I255-E257 VanDerWaalsContact C-N 3.35Å; I255-R264 HydrophobicContact CG2-CG 3.76Å; I255-R264 WeakPolarHBondContact O-CD 3.12Å; I255-R264 WeakPolarHBondContact O-CG 3.4Å; I255-R264 PolarHBondContact O-NE 2.93Å; I255-A267 HydrophobicContact CG1-CB 3.8Å; I255-A267 WeakPolarHBondContact CG1-O 3.44Å; I255-F268 HydrophobicContact CD1-CD1 3.95Å; I255-F268 HydrophobicContact CD1-CD2 4.46Å; I255-F268 HydrophobicContact CD1-CE1 4.13Å; I255-F268 HydrophobicContact CD1-CG 4.11Å; I255-F268 HydrophobicContact CD1-CZ 4.47Å; I255-F268 HydrophobicContact CG1-CD2 4.44Å; I255-F268 HydrophobicContact CG1-CG 4.47Å; I255-F268 HydrophobicContact CG2-CD2 3.79Å; I255-F268 HydrophobicContact CG2-CE1 4.29Å; I255-F268 HydrophobicContact CG2-CE2 3.29Å; I255-F268 HydrophobicContact CG2-CG 4.46Å; I255-F268 HydrophobicContact CG2-CZ 3.58Å; I255-I271 HydrophobicContact CD1-CD1 4.44Å; I255-I271 HydrophobicContact CD1-CG1 3.6Å; I255-F305 HydrophobicContact CB-CE1 4.2Å; I255-F305 HydrophobicContact CB-CZ 4.03Å; I255-F305 HydrophobicContact CD1-CE1 3.81Å; I255-F305 HydrophobicContact CD1-CZ 4.22Å; I255-F305 HydrophobicContact CG2-CE1 3.74Å; I255-F305 HydrophobicContact CG2-CZ 3.87Å
256	V	98.3	Very high	98.1	Very high	46 Å²	46	69.4 Å²	69.4	28%	0.279	37%	0.366	S	S	.	.	H	α-helix	trans	-70.1	-33.8	-176.5	175.3	0	0	0	0	112.1	C252 K253 Y300 S302 Y304 F305	C252-V256 WeakPolarHBondContact O-CG2 3.37Å; C252-V256 PolarHBondContact O-N 2.59Å; K253-V256 PolarHBondContact O-N 3.27Å; V256-Y300 HydrophobicContact CB-CE1 4.43Å; V256-Y300 HydrophobicContact CG2-CD1 4.33Å; V256-Y300 HydrophobicContact CG2-CE1 3.74Å; V256-S302 VanDerWaalsContact CG2-CB 3.49Å; V256-S302 WeakPolarHBondContact CG2-OG 3.38Å; V256-Y304 HydrophobicContact CG2-CD2 4.33Å; V256-F305 HydrophobicContact CG2-CE2 3.79Å; V256-F305 HydrophobicContact CG2-CZ 4.01Å
257	E	98.1	Very high	98	Very high	124 Å²	124	67.8 Å²	67.8	58%	0.579	35%	0.353	S	S	*	.	H	α-helix	trans	-92.7	-1.6	-178	-63.7	-177.8	168	0	0	114	K253 I255 A259	K253-E257 WeakPolarHBondContact CE-OE2 3.49Å; K253-E257 HydrophobicContact CG-CG 4.3Å; K253-E257 WeakPolarHBondContact CG-OE2 3.31Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 PolarHBondContact NZ-OE1 2.84Å; K253-E257 IonicContact NZ-OE2 2.64Å; K253-E257 PolarHBondContact NZ-OE2 3.2Å; K253-E257 WeakPolarHBondContact O-CB 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.38Å; K253-E257 PolarHBondContact O-N 2.82Å; I255-E257 VanDerWaalsContact C-N 3.35Å; E257-A259 PolarHBondContact O-N 3.23Å
258	A	98.2	Very high	98	Very high	16 Å²	16	67.3 Å²	67.3	13%	0.132	35%	0.349	C	S	.	.			trans	-55.7	136.7	175.8	0	0	0	0	0	111.7	A254 S260 E263 R264	A254-A258 PolarHBondContact O-N 3.21Å; A254-A258 VanDerWaalsContact O-N 3.09Å; A258-S260 VanDerWaalsContact C-N 3.34Å; A258-S260 PolarHBondContact O-N 3.34Å; A258-E263 HydrophobicContact CB-CB 4.15Å; A258-R264 HydrophobicContact CB-CB 3.8Å; A258-R264 HydrophobicContact CB-CG 4.3Å; A258-R264 PolarHBondContact O-NH2 3.36Å
259	A	97.6	Very high	97.9	Very high	91 Å²	91	69.7 Å²	69.7	75%	0.752	37%	0.369	S	S	*	.	S	Bend	trans	-80.3	-16.7	-170.7	0	0	0	0	0	113.4	E257 E263	E257-A259 PolarHBondContact O-N 3.23Å; A259-E263 WeakPolarHBondContact CB-OE2 3.22Å; A259-E263 PolarHBondContact N-OE2 3.25Å
260	S	97.8	Very high	97.9	Very high	45 Å²	45	67.6 Å²	67.6	32%	0.315	37%	0.365	S	S	.	.	S	Bend	trans	-145.1	163.8	177.9	68.3	0	0	0	0	111.8	A258 E262 E263 R264	A258-S260 VanDerWaalsContact C-N 3.34Å; A258-S260 PolarHBondContact O-N 3.34Å; S260-E262 PolarHBondContact O-N 2.73Å; S260-E263 PolarHBondContact O-N 3.33Å; S260-E263 WeakPolarHBondContact OG-CG 3.46Å; S260-E263 PolarHBondContact OG-N 2.98Å; S260-R264 WeakPolarHBondContact O-CB 3.04Å; S260-R264 PolarHBondContact O-N 2.69Å
261	D	97.1	Very high	97.9	Very high	125 Å²	125	60.3 Å²	60.3	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-64.7	-30.6	175.9	-68.1	-7	0	0	0	112.3	R264 L265	D261-R264 PolarHBondContact O-N 2.93Å; D261-R264 IonicContact OD1-CZ 2.6Å; D261-R264 IonicContact OD1-NH1 3.16Å; D261-R264 PolarHBondContact OD1-NH1 2.86Å; D261-L265 WeakPolarHBondContact O-CB 3.49Å; D261-L265 PolarHBondContact O-N 3.29Å
262	E	97	Very high	97.9	Very high	125 Å²	125	63.9 Å²	63.9	58%	0.584	35%	0.353	S	S	*	.	H	α-helix	trans	-67.3	-47	175.5	-169.9	-167.5	149.9	0	0	111.4	S260 R264 L265 K266	S260-E262 PolarHBondContact O-N 2.73Å; E262-R264 VanDerWaalsContact C-N 3.3Å; E262-R264 PolarHBondContact O-N 3.43Å; E262-L265 PolarHBondContact O-N 2.92Å; E262-K266 WeakPolarHBondContact O-CG 3.46Å; E262-K266 PolarHBondContact O-N 3.38Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3.47Å; E262-K266 PolarHBondContact OE1-NZ 3.27Å
263	E	97.3	Very high	97.9	Very high	99 Å²	99	69.3 Å²	69.3	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-40.3	174.7	-74	177.7	-177.1	0	0	111.3	A258 A259 S260 K266 A267	A258-E263 HydrophobicContact CB-CB 4.15Å; A259-E263 WeakPolarHBondContact CB-OE2 3.22Å; A259-E263 PolarHBondContact N-OE2 3.25Å; S260-E263 PolarHBondContact O-N 3.33Å; S260-E263 WeakPolarHBondContact OG-CG 3.46Å; S260-E263 PolarHBondContact OG-N 2.98Å; E263-K266 PolarHBondContact O-N 3.11Å; E263-A267 WeakPolarHBondContact O-CB 3.42Å; E263-A267 PolarHBondContact O-N 3.49Å
264	R	98.1	Very high	97.9	Very high	21 Å²	21	65 Å²	65	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-63.1	-43.4	177.8	-166	169.6	-55	99.6	7.9	111.6	I255 A258 S260 D261 E262 K266 A267 F268	I255-R264 HydrophobicContact CG2-CG 3.76Å; I255-R264 WeakPolarHBondContact O-CD 3.12Å; I255-R264 WeakPolarHBondContact O-CG 3.4Å; I255-R264 PolarHBondContact O-NE 2.93Å; A258-R264 HydrophobicContact CB-CB 3.8Å; A258-R264 HydrophobicContact CB-CG 4.3Å; A258-R264 PolarHBondContact O-NH2 3.36Å; S260-R264 WeakPolarHBondContact O-CB 3.04Å; S260-R264 PolarHBondContact O-N 2.69Å; D261-R264 PolarHBondContact O-N 2.93Å; D261-R264 IonicContact OD1-CZ 2.6Å; D261-R264 IonicContact OD1-NH1 3.16Å; D261-R264 PolarHBondContact OD1-NH1 2.86Å; E262-R264 VanDerWaalsContact C-N 3.3Å; E262-R264 PolarHBondContact O-N 3.43Å; R264-K266 VanDerWaalsContact C-N 3.28Å; R264-K266 PolarHBondContact O-N 3.48Å; R264-A267 CarbonylContact O-C 3.55Å; R264-A267 PolarHBondContact O-N 3.16Å; R264-A267 VanDerWaalsContact O-N 3.15Å; R264-F268 HydrophobicContact CG-CD2 3.92Å; R264-F268 HydrophobicContact CG-CE2 3.85Å; R264-F268 VanDerWaalsContact O-CD2 3.31Å; R264-F268 WeakPolarHBondContact O-CD2 3.49Å; R264-F268 PolarHBondContact O-N 3.42Å
265	L	96.1	Very high	97.9	Very high	113 Å²	113	64.1 Å²	64.1	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-40.3	176.5	-178.5	62.6	0	0	0	111.5	D261 E262 F268	D261-L265 WeakPolarHBondContact O-CB 3.49Å; D261-L265 PolarHBondContact O-N 3.29Å; E262-L265 PolarHBondContact O-N 2.92Å; L265-F268 WeakPolarHBondContact O-CB 3.24Å; L265-F268 PolarHBondContact O-N 3.3Å
266	K	96.9	Very high	97.9	Very high	133 Å²	133	67.5 Å²	67.5	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-65.7	-43.5	173.7	-66.9	171.5	-170.9	165.4	0	111.6	E262 E263 R264 F268 A269	E262-K266 WeakPolarHBondContact O-CG 3.46Å; E262-K266 PolarHBondContact O-N 3.38Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3.47Å; E262-K266 PolarHBondContact OE1-NZ 3.27Å; E263-K266 PolarHBondContact O-N 3.11Å; R264-K266 VanDerWaalsContact C-N 3.28Å; R264-K266 PolarHBondContact O-N 3.48Å; K266-F268 PolarHBondContact O-N 2.92Å; K266-A269 WeakPolarHBondContact O-CB 3.29Å; K266-A269 PolarHBondContact O-N 3.04Å
267	A	97.6	Very high	97.9	Very high	27 Å²	27	69 Å²	69	22%	0.223	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-20.6	177.3	0	0	0	0	0	113.4	I255 E263 R264 A269 P270	I255-A267 HydrophobicContact CG1-CB 3.8Å; I255-A267 WeakPolarHBondContact CG1-O 3.44Å; E263-A267 WeakPolarHBondContact O-CB 3.42Å; E263-A267 PolarHBondContact O-N 3.49Å; R264-A267 CarbonylContact O-C 3.55Å; R264-A267 PolarHBondContact O-N 3.16Å; R264-A267 VanDerWaalsContact O-N 3.15Å; A267-A269 VanDerWaalsContact C-N 3.31Å; A267-P270 WeakPolarHBondContact O-CD 3.09Å
268	F	97.7	Very high	97.9	Very high	30 Å²	30	63.1 Å²	63.1	13%	0.132	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.2	175	-99.6	-74	0	0	0	114.2	I255 R264 L265 K266 I271 Q272 F305 V308	I255-F268 HydrophobicContact CD1-CD1 3.95Å; I255-F268 HydrophobicContact CD1-CD2 4.46Å; I255-F268 HydrophobicContact CD1-CE1 4.13Å; I255-F268 HydrophobicContact CD1-CG 4.11Å; I255-F268 HydrophobicContact CD1-CZ 4.47Å; I255-F268 HydrophobicContact CG1-CD2 4.44Å; I255-F268 HydrophobicContact CG1-CG 4.47Å; I255-F268 HydrophobicContact CG2-CD2 3.79Å; I255-F268 HydrophobicContact CG2-CE1 4.29Å; I255-F268 HydrophobicContact CG2-CE2 3.29Å; I255-F268 HydrophobicContact CG2-CG 4.46Å; I255-F268 HydrophobicContact CG2-CZ 3.58Å; R264-F268 HydrophobicContact CG-CD2 3.92Å; R264-F268 HydrophobicContact CG-CE2 3.85Å; R264-F268 VanDerWaalsContact O-CD2 3.31Å; R264-F268 WeakPolarHBondContact O-CD2 3.49Å; R264-F268 PolarHBondContact O-N 3.42Å; L265-F268 WeakPolarHBondContact O-CB 3.24Å; L265-F268 PolarHBondContact O-N 3.3Å; K266-F268 PolarHBondContact O-N 2.92Å; F268-I271 HydrophobicContact CD1-CB 3.99Å; F268-I271 HydrophobicContact CD1-CG1 4.17Å; F268-I271 HydrophobicContact CD1-CG2 4.19Å; F268-I271 HydrophobicContact CE1-CG2 4.43Å; F268-I271 WeakPolarHBondContact O-CB 3.32Å; F268-I271 PolarHBondContact O-N 3.34Å; F268-Q272 PolarHBondContact O-N 2.93Å; F268-F305 AromaticContact CE1-CD1 3.93Å; F268-F305 HydrophobicContact CE1-CD1 3.93Å; F268-F305 AromaticContact CE1-CE1 3.89Å; F268-F305 HydrophobicContact CE1-CE1 3.89Å; F268-F305 AromaticContact CZ-CD1 3.95Å; F268-F305 HydrophobicContact CZ-CD1 3.95Å; F268-F305 AromaticContact CZ-CE1 3.86Å; F268-F305 HydrophobicContact CZ-CE1 3.86Å; F268-V308 HydrophobicContact CE1-CG2 4.49Å
269	A	98.2	Very high	97.9	Very high	51 Å²	51	66.3 Å²	66.3	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-53.4	-44.4	-176.4	0	0	0	0	0	113.9	K266 A267 I271 Q272 E273	K266-A269 WeakPolarHBondContact O-CB 3.29Å; K266-A269 PolarHBondContact O-N 3.04Å; A267-A269 VanDerWaalsContact C-N 3.31Å; A269-I271 VanDerWaalsContact C-N 3.31Å; A269-I271 PolarHBondContact O-N 3.08Å; A269-Q272 PolarHBondContact O-N 2.86Å; A269-E273 PolarHBondContact O-N 2.75Å
270	P	98.5	Very high	98	Very high	45 Å²	45	67.3 Å²	67.3	29%	0.292	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-33.6	176.7	-22.1	34.9	0	0	0	113.5	I251 A267 E273 M274	I251-P270 HydrophobicContact CD1-CB 4Å; I251-P270 HydrophobicContact CG1-CB 4.48Å; I251-P270 HydrophobicContact CG2-CB 4.24Å; A267-P270 WeakPolarHBondContact O-CD 3.09Å; P270-E273 PolarHBondContact O-N 3.14Å; P270-M274 WeakPolarHBondContact O-CE 3.49Å; P270-M274 WeakPolarHBondContact O-CG 3.36Å; P270-M274 PolarHBondContact O-N 3.41Å
271	I	98.5	Very high	98	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-42	175.3	-60.6	-65.2	0	0	0	110.3	L248 I251 I255 F268 A269 E273 M274 M275 L297 V308	L248-I271 HydrophobicContact CD1-CD1 4.09Å; I251-I271 HydrophobicContact CG2-CD1 3.94Å; I251-I271 HydrophobicContact CG2-CG1 4.05Å; I255-I271 HydrophobicContact CD1-CD1 4.44Å; I255-I271 HydrophobicContact CD1-CG1 3.6Å; F268-I271 HydrophobicContact CD1-CB 3.99Å; F268-I271 HydrophobicContact CD1-CG1 4.17Å; F268-I271 HydrophobicContact CD1-CG2 4.19Å; F268-I271 HydrophobicContact CE1-CG2 4.43Å; F268-I271 WeakPolarHBondContact O-CB 3.32Å; F268-I271 PolarHBondContact O-N 3.34Å; A269-I271 VanDerWaalsContact C-N 3.31Å; A269-I271 PolarHBondContact O-N 3.08Å; I271-E273 VanDerWaalsContact C-N 3.33Å; I271-E273 PolarHBondContact O-N 3.33Å; I271-M274 HydrophobicContact CD1-CE 3.81Å; I271-M274 PolarHBondContact O-N 3.29Å; I271-M275 HydrophobicContact CG2-CG 4.46Å; I271-M275 HydrophobicContact CG2-SD 4.4Å; I271-M275 WeakPolarHBondContact O-CB 3.46Å; I271-M275 VanDerWaalsContact O-CG 3.27Å; I271-M275 WeakPolarHBondContact O-CG 3.27Å; I271-M275 PolarHBondContact O-N 2.71Å; I271-L297 HydrophobicContact CD1-CD2 4.05Å; I271-V308 HydrophobicContact CG2-CG1 4.11Å
272	Q	98	Very high	98.1	Very high	101 Å²	101	59.9 Å²	59.9	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-38.4	177.7	-67.4	175.8	-14.4	0	0	112.1	F268 A269 M275 T276	F268-Q272 PolarHBondContact O-N 2.93Å; A269-Q272 PolarHBondContact O-N 2.86Å; Q272-M275 PolarHBondContact O-N 3.28Å; Q272-T276 PolarHBondContact O-N 3.11Å; Q272-T276 VanDerWaalsContact O-N 3.09Å; Q272-T276 PolarHBondContact O-OG1 3.15Å
273	E	98.4	Very high	98.1	Very high	114 Å²	114	60.2 Å²	60.2	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-49.2	174.3	-174.9	172.2	-163.3	0	0	111.3	A269 P270 I271 M275 T276 F277	A269-E273 PolarHBondContact O-N 2.75Å; P270-E273 PolarHBondContact O-N 3.14Å; I271-E273 VanDerWaalsContact C-N 3.33Å; I271-E273 PolarHBondContact O-N 3.33Å; E273-M275 VanDerWaalsContact C-N 3.31Å; E273-M275 PolarHBondContact O-N 2.94Å; E273-T276 WeakPolarHBondContact O-CA 3.33Å; E273-T276 VanDerWaalsContact O-CB 3.29Å; E273-T276 WeakPolarHBondContact O-CB 3.33Å; E273-T276 PolarHBondContact O-N 3.48Å; E273-F277 HydrophobicContact CG-CD2 4.38Å; E273-F277 HydrophobicContact CG-CE2 3.64Å; E273-F277 HydrophobicContact CG-CZ 3.72Å; E273-F277 PolarHBondContact O-N 3.44Å
274	M	98.8	Very high	98.2	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-39.7	174.5	-77.8	-174.2	-79.4	0	0	112.8	P242 E243 L248 I251 P270 I271 T276 F277 V278 L293	P242-M274 HydrophobicContact CG-CG 3.52Å; P242-M274 HydrophobicContact CG-SD 4.09Å; E243-M274 HydrophobicContact CB-SD 4.3Å; E243-M274 HydrophobicContact CG-CE 4.34Å; E243-M274 HydrophobicContact CG-SD 4.03Å; L248-M274 HydrophobicContact CD1-CE 3.76Å; L248-M274 HydrophobicContact CD1-SD 4.28Å; I251-M274 HydrophobicContact CD1-CE 4.25Å; P270-M274 WeakPolarHBondContact O-CE 3.49Å; P270-M274 WeakPolarHBondContact O-CG 3.36Å; P270-M274 PolarHBondContact O-N 3.41Å; I271-M274 HydrophobicContact CD1-CE 3.81Å; I271-M274 PolarHBondContact O-N 3.29Å; M274-T276 VanDerWaalsContact C-N 3.25Å; M274-T276 PolarHBondContact O-N 2.88Å; M274-F277 PolarHBondContact O-N 3.06Å; M274-V278 WeakPolarHBondContact O-CG2 3.43Å; M274-V278 PolarHBondContact O-N 3.27Å; M274-L293 HydrophobicContact CB-CD2 3.85Å; M274-L293 HydrophobicContact SD-CD1 4.15Å
275	M	98.6	Very high	98.2	Very high	35 Å²	35	62.2 Å²	62.2	17%	0.172	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-35.2	174	-74.7	-178.4	76.7	0	0	112.5	I271 Q272 E273 V278 Q279 L293 V308 Q311 L312	I271-M275 HydrophobicContact CG2-CG 4.46Å; I271-M275 HydrophobicContact CG2-SD 4.4Å; I271-M275 WeakPolarHBondContact O-CB 3.46Å; I271-M275 VanDerWaalsContact O-CG 3.27Å; I271-M275 WeakPolarHBondContact O-CG 3.27Å; I271-M275 PolarHBondContact O-N 2.71Å; Q272-M275 PolarHBondContact O-N 3.28Å; E273-M275 VanDerWaalsContact C-N 3.31Å; E273-M275 PolarHBondContact O-N 2.94Å; M275-V278 PolarHBondContact O-N 2.9Å; M275-Q279 WeakPolarHBondContact O-CG 3.35Å; M275-Q279 PolarHBondContact O-N 2.93Å; M275-Q279 VanDerWaalsContact O-N 3.13Å; M275-L293 HydrophobicContact CG-CD2 4.46Å; M275-V308 HydrophobicContact CE-CG1 4.08Å; M275-V308 HydrophobicContact CG-CG1 4.17Å; M275-V308 HydrophobicContact SD-CB 4.4Å; M275-V308 HydrophobicContact SD-CG1 3.51Å; M275-V308 VanDerWaalsContact SD-CG1 3.51Å; M275-V308 HydrophobicContact SD-CG2 4.12Å; M275-Q311 HydrophobicContact CE-CB 4.35Å; M275-L312 HydrophobicContact CG-CD2 4.42Å
276	T	98.6	Very high	98.3	Very high	71 Å²	71	57.3 Å²	57.3	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-43.9	175.8	-55.7	0	0	0	0	110.5	Q272 E273 M274 V278 Q279 F280	Q272-T276 PolarHBondContact O-N 3.11Å; Q272-T276 VanDerWaalsContact O-N 3.09Å; Q272-T276 PolarHBondContact O-OG1 3.15Å; E273-T276 WeakPolarHBondContact O-CA 3.33Å; E273-T276 VanDerWaalsContact O-CB 3.29Å; E273-T276 WeakPolarHBondContact O-CB 3.33Å; E273-T276 PolarHBondContact O-N 3.48Å; M274-T276 VanDerWaalsContact C-N 3.25Å; M274-T276 PolarHBondContact O-N 2.88Å; T276-V278 VanDerWaalsContact C-N 3.3Å; T276-V278 PolarHBondContact O-N 2.81Å; T276-Q279 WeakPolarHBondContact O-CB 3.36Å; T276-Q279 PolarHBondContact O-N 3.22Å; T276-Q279 VanDerWaalsContact O-N 3.09Å; T276-F280 HydrophobicContact CG2-CE2 3.84Å; T276-F280 HydrophobicContact CG2-CZ 4.12Å; T276-F280 PolarHBondContact O-N 3.3Å
277	F	98.6	Very high	98.4	Very high	77 Å²	77	53.7 Å²	53.7	34%	0.338	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-36	173.6	-59.9	-34.7	0	0	0	113	P242 E273 M274 Q279 F280 A281 M289	P242-F277 HydrophobicContact CG-CD2 4.01Å; P242-F277 HydrophobicContact CG-CE2 4.29Å; E273-F277 HydrophobicContact CG-CD2 4.38Å; E273-F277 HydrophobicContact CG-CE2 3.64Å; E273-F277 HydrophobicContact CG-CZ 3.72Å; E273-F277 PolarHBondContact O-N 3.44Å; M274-F277 PolarHBondContact O-N 3.06Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 3.11Å; F277-F280 HydrophobicContact CD1-CD2 4.15Å; F277-F280 HydrophobicContact CD1-CE2 4.4Å; F277-F280 PolarHBondContact O-N 3.46Å; F277-A281 WeakPolarHBondContact O-CB 3.36Å; F277-A281 PolarHBondContact O-N 3.43Å; F277-M289 HydrophobicContact CB-CE 3.89Å
278	V	98.8	Very high	98.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-36.7	172.4	167	0	0	0	0	111.7	M274 M275 T276 A281 N282 M289 G290 L293 L312	M274-V278 WeakPolarHBondContact O-CG2 3.43Å; M274-V278 PolarHBondContact O-N 3.27Å; M275-V278 PolarHBondContact O-N 2.9Å; T276-V278 VanDerWaalsContact C-N 3.3Å; T276-V278 PolarHBondContact O-N 2.81Å; V278-A281 PolarHBondContact O-N 3.42Å; V278-N282 WeakPolarHBondContact O-CB 3.27Å; V278-N282 PolarHBondContact O-N 2.85Å; V278-N282 PolarHBondContact O-ND2 3.48Å; V278-M289 HydrophobicContact CG2-CE 4.38Å; V278-M289 HydrophobicContact CG2-CG 4.05Å; V278-M289 HydrophobicContact CG2-SD 4.06Å; V278-G290 VanDerWaalsContact CG1-CA 3.4Å; V278-L293 HydrophobicContact CG2-CD2 4Å; V278-L312 HydrophobicContact CB-CD2 4.33Å; V278-L312 HydrophobicContact CG1-CD2 3.79Å; V278-L312 HydrophobicContact CG2-CD2 4.49Å
279	Q	98.6	Very high	98.5	Very high	84 Å²	84	51.2 Å²	51.2	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-45.2	175.1	-62.4	-51.5	-54.9	0	0	111.5	M275 T276 F277 A281 N282 D283	M275-Q279 WeakPolarHBondContact O-CG 3.35Å; M275-Q279 PolarHBondContact O-N 2.93Å; M275-Q279 VanDerWaalsContact O-N 3.13Å; T276-Q279 WeakPolarHBondContact O-CB 3.36Å; T276-Q279 PolarHBondContact O-N 3.22Å; T276-Q279 VanDerWaalsContact O-N 3.09Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 3.11Å; Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 3.22Å; Q279-N282 PolarHBondContact O-N 3.26Å; Q279-D283 PolarHBondContact O-N 2.89Å
280	F	98.4	Very high	98.5	Very high	111 Å²	111	48.8 Å²	48.8	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-41.8	174	-60.8	-45.6	0	0	0	112.1	T276 F277 N282 D283 E284	T276-F280 HydrophobicContact CG2-CE2 3.84Å; T276-F280 HydrophobicContact CG2-CZ 4.12Å; T276-F280 PolarHBondContact O-N 3.3Å; F277-F280 HydrophobicContact CD1-CD2 4.15Å; F277-F280 HydrophobicContact CD1-CE2 4.4Å; F277-F280 PolarHBondContact O-N 3.46Å; F280-N282 VanDerWaalsContact C-N 3.34Å; F280-N282 PolarHBondContact O-N 3.29Å; F280-D283 PolarHBondContact O-N 2.98Å; F280-E284 WeakPolarHBondContact O-CB 3.47Å; F280-E284 WeakPolarHBondContact O-CG 3.49Å; F280-E284 PolarHBondContact O-N 2.68Å; F280-E284 VanDerWaalsContact O-N 3.1Å
281	A	98.6	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-43.4	175.3	0	0	0	0	0	111.5	R239 F277 V278 Q279 E284 C285 D286 M289	R239-A281 HydrophobicContact CG-CB 4.18Å; F277-A281 WeakPolarHBondContact O-CB 3.36Å; F277-A281 PolarHBondContact O-N 3.43Å; V278-A281 PolarHBondContact O-N 3.42Å; Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 3.22Å; A281-E284 CarbonylContact O-C 3.57Å; A281-E284 PolarHBondContact O-N 3.02Å; A281-C285 PolarHBondContact O-N 3.07Å; A281-C285 VanDerWaalsContact O-N 3.07Å; A281-D286 HydrophobicContact CB-CB 4.01Å; A281-D286 WeakPolarHBondContact O-CA 3.35Å; A281-D286 PolarHBondContact O-N 3.42Å; A281-M289 HydrophobicContact CB-CB 4.1Å; A281-M289 HydrophobicContact CB-SD 3.65Å
282	N	98.3	Very high	98.6	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-43.4	177.2	-70.9	-23.7	0	0	0	112.3	V278 Q279 F280 E284 C285 Y287 L319	V278-N282 WeakPolarHBondContact O-CB 3.27Å; V278-N282 PolarHBondContact O-N 2.85Å; V278-N282 PolarHBondContact O-ND2 3.48Å; Q279-N282 PolarHBondContact O-N 3.26Å; F280-N282 VanDerWaalsContact C-N 3.34Å; F280-N282 PolarHBondContact O-N 3.29Å; N282-E284 PolarHBondContact O-N 3.4Å; N282-C285 PolarHBondContact O-N 3.05Å; N282-Y287 HydrophobicContact CB-CD1 4.4Å; N282-Y287 VanDerWaalsContact O-CE1 3.27Å; N282-Y287 WeakPolarHBondContact O-CE1 3.46Å; N282-L319 HydrophobicContact CB-CD1 4.17Å
283	D	98.2	Very high	98.6	Very high	132 Å²	132	42.1 Å²	42.1	71%	0.706	21%	0.208	S	C	*	.	H	α-helix	trans	-60.3	-30.5	175.9	-70.9	-23.7	0	0	0	111.7	Q279 F280	Q279-D283 PolarHBondContact O-N 2.89Å; F280-D283 PolarHBondContact O-N 2.98Å
284	E	98.2	Very high	98.6	Very high	109 Å²	109	36.7 Å²	36.7	51%	0.509	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.1	178.2	-64.6	175.1	175.6	0	0	113.5	R239 F280 A281 N282 D286	R239-E284 IonicContact CZ-OE2 2.57Å; R239-E284 IonicContact NH1-OE2 2.77Å; R239-E284 PolarHBondContact NH1-OE2 3.41Å; R239-E284 IonicContact NH2-OE2 3.94Å; R239-E284 PolarHBondContact NH2-OE2 3.29Å; F280-E284 WeakPolarHBondContact O-CB 3.47Å; F280-E284 WeakPolarHBondContact O-CG 3.49Å; F280-E284 PolarHBondContact O-N 2.68Å; F280-E284 VanDerWaalsContact O-N 3.1Å; A281-E284 CarbonylContact O-C 3.57Å; A281-E284 PolarHBondContact O-N 3.02Å; N282-E284 PolarHBondContact O-N 3.4Å; E284-D286 VanDerWaalsContact C-N 3.29Å; E284-D286 PolarHBondContact O-N 2.89Å
285	C	98.3	Very high	98.6	Very high	54 Å²	54	36.5 Å²	36.5	37%	0.365	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	12.4	178.2	-57.4	0	0	0	0	116.9	V236 A281 N282 Y287	V236-C285 HydrophobicContact CG1-CB 3.85Å; A281-C285 PolarHBondContact O-N 3.07Å; A281-C285 VanDerWaalsContact O-N 3.07Å; N282-C285 PolarHBondContact O-N 3.05Å; C285-Y287 HydrophobicContact CB-CE1 4.49Å; C285-Y287 HydrophobicContact CB-CE2 4.24Å; C285-Y287 PolarHBondContact O-N 2.87Å; C285-Y287 PolarHBondContact SG-OH 3.07Å; C285-Y287 VanDerWaalsContact SG-OH 3.41Å
286	D	98.6	Very high	98.7	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.048	17%	0.174	C	C	.	.			trans	-85.3	56	174.5	-74.1	-26.9	0	0	0	112.5	G237 Y238 R239 A281 E284 G288 M289	G237-D286 WeakPolarHBondContact CA-OD1 3.47Å; G237-D286 PolarHBondContact N-OD1 2.97Å; G237-D286 CarbonylContact O-C 3.6Å; Y238-D286 PolarHBondContact N-OD1 3.18Å; Y238-D286 VanDerWaalsContact N-OD1 3.13Å; R239-D286 HydrophobicContact CG-CB 4.06Å; R239-D286 IonicContact CZ-OD2 3.13Å; R239-D286 IonicContact NE-OD2 2.71Å; R239-D286 PolarHBondContact NE-OD2 3.34Å; R239-D286 IonicContact NH2-OD2 2.66Å; R239-D286 PolarHBondContact NH2-OD2 3.25Å; A281-D286 HydrophobicContact CB-CB 4.01Å; A281-D286 WeakPolarHBondContact O-CA 3.35Å; A281-D286 PolarHBondContact O-N 3.42Å; E284-D286 VanDerWaalsContact C-N 3.29Å; E284-D286 PolarHBondContact O-N 2.89Å; D286-G288 PolarHBondContact O-N 3.48Å; D286-G288 VanDerWaalsContact O-N 3.07Å; D286-M289 PolarHBondContact O-N 3.08Å
287	Y	98.7	Very high	98.7	Very high	57 Å²	57	31.4 Å²	31.4	22%	0.224	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-23.7	-173.8	-49.9	-47.9	0	0	0	113.9	G237 N282 C285 M289 G290 L291 L319 L320	G237-Y287 PolarHBondContact O-N 3.46Å; N282-Y287 HydrophobicContact CB-CD1 4.4Å; N282-Y287 VanDerWaalsContact O-CE1 3.27Å; N282-Y287 WeakPolarHBondContact O-CE1 3.46Å; C285-Y287 HydrophobicContact CB-CE1 4.49Å; C285-Y287 HydrophobicContact CB-CE2 4.24Å; C285-Y287 PolarHBondContact O-N 2.87Å; C285-Y287 PolarHBondContact SG-OH 3.07Å; C285-Y287 VanDerWaalsContact SG-OH 3.41Å; Y287-M289 PolarHBondContact O-N 3.26Å; Y287-G290 PolarHBondContact O-N 3.09Å; Y287-L291 PolarHBondContact O-N 3.13Å; Y287-L319 HydrophobicContact CD1-CB 3.69Å; Y287-L319 HydrophobicContact CD1-CD1 3.55Å; Y287-L319 HydrophobicContact CD1-CD2 4.47Å; Y287-L319 HydrophobicContact CD1-CG 4.09Å; Y287-L319 HydrophobicContact CD2-CB 4.06Å; Y287-L319 HydrophobicContact CE1-CB 3.9Å; Y287-L319 HydrophobicContact CE1-CD1 3.77Å; Y287-L319 HydrophobicContact CE1-CD2 3.96Å; Y287-L319 HydrophobicContact CE1-CG 4.08Å; Y287-L319 HydrophobicContact CE2-CB 4.28Å; Y287-L319 HydrophobicContact CG-CB 3.76Å; Y287-L319 HydrophobicContact CG-CD1 4.37Å; Y287-L320 HydrophobicContact CD2-CD2 4.33Å
288	G	98.8	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-28.4	178.9	0	0	0	0	0	114.2	G237 D286 L291 E292	G237-G288 PolarHBondContact O-N 2.87Å; G237-G288 VanDerWaalsContact O-N 3.08Å; D286-G288 PolarHBondContact O-N 3.48Å; D286-G288 VanDerWaalsContact O-N 3.07Å; G288-L291 PolarHBondContact O-N 3.41Å; G288-E292 PolarHBondContact O-N 2.77Å
289	M	98.9	Very high	98.7	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-45.3	179.5	-171.4	-166.8	-175.7	0	0	111.5	R239 L241 F277 V278 A281 D286 Y287 L291 E292 L293	R239-M289 HydrophobicContact CG-CB 3.98Å; R239-M289 HydrophobicContact CG-CG 4.11Å; R239-M289 HydrophobicContact CG-SD 3.72Å; R239-M289 WeakPolarHBondContact O-CB 3.41Å; R239-M289 WeakPolarHBondContact O-CG 3.3Å; L241-M289 HydrophobicContact CD2-CE 4.03Å; L241-M289 HydrophobicContact CD2-CG 3.79Å; F277-M289 HydrophobicContact CB-CE 3.89Å; V278-M289 HydrophobicContact CG2-CE 4.38Å; V278-M289 HydrophobicContact CG2-CG 4.05Å; V278-M289 HydrophobicContact CG2-SD 4.06Å; A281-M289 HydrophobicContact CB-CB 4.1Å; A281-M289 HydrophobicContact CB-SD 3.65Å; D286-M289 PolarHBondContact O-N 3.08Å; Y287-M289 PolarHBondContact O-N 3.26Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 3.34Å; M289-E292 PolarHBondContact O-N 3.3Å; M289-L293 PolarHBondContact O-N 2.98Å; M289-L293 VanDerWaalsContact O-N 3.09Å
290	G	98.8	Very high	98.7	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-35.2	177.2	0	0	0	0	0	112.7	V278 Y287 G294	V278-G290 VanDerWaalsContact CG1-CA 3.4Å; Y287-G290 PolarHBondContact O-N 3.09Å; G290-G294 PolarHBondContact O-N 3.07Å; G290-G294 VanDerWaalsContact O-N 3.08Å
291	L	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-46.7	174.3	-176.9	60	0	0	0	111.4	L227 V229 Y287 G288 M289 M295 L313 A316 Y317 L320	L227-L291 HydrophobicContact CD1-CB 4.32Å; L227-L291 HydrophobicContact CD1-CD2 4.03Å; L227-L291 HydrophobicContact CD1-CG 3.84Å; L227-L291 HydrophobicContact CD2-CD2 3.96Å; L227-L291 HydrophobicContact CD2-CG 4.17Å; L227-L291 HydrophobicContact CG-CD2 4.48Å; V229-L291 HydrophobicContact CG1-CD2 4.1Å; Y287-L291 PolarHBondContact O-N 3.13Å; G288-L291 PolarHBondContact O-N 3.41Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 3.34Å; L291-M295 VanDerWaalsContact O-CB 3.22Å; L291-M295 WeakPolarHBondContact O-CB 3.48Å; L291-M295 PolarHBondContact O-N 3.39Å; L291-L313 HydrophobicContact CD1-CD2 3.79Å; L291-A316 HydrophobicContact CB-CB 3.96Å; L291-A316 HydrophobicContact CD1-CB 4.45Å; L291-Y317 HydrophobicContact CD1-CD1 4.11Å; L291-Y317 HydrophobicContact CD1-CE1 3.59Å; L291-Y317 HydrophobicContact CD1-CE2 4.14Å; L291-L320 HydrophobicContact CD2-CD1 3.69Å
292	E	98.9	Very high	98.6	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-54.8	177.8	178.1	175.7	-146.7	0	0	112.1	T219 T221 L227 Y238 L241 G288 M289 G294 M295 D296	T219-E292 VanDerWaalsContact CB-OE1 3.24Å; T219-E292 WeakPolarHBondContact CB-OE1 3.33Å; T219-E292 HydrophobicContact CG2-CB 4.16Å; T219-E292 HydrophobicContact CG2-CG 3.93Å; T219-E292 WeakPolarHBondContact CG2-OE1 3.31Å; T219-E292 PolarHBondContact OG1-OE1 3.44Å; T221-E292 HydrophobicContact CG2-CG 4.33Å; L227-E292 HydrophobicContact CD1-CB 4.03Å; Y238-E292 WeakPolarHBondContact CE2-OE2 3.47Å; Y238-E292 PolarHBondContact OH-OE2 3.21Å; Y238-E292 VanDerWaalsContact OH-OE2 3.05Å; L241-E292 HydrophobicContact CD1-CG 3.95Å; L241-E292 HydrophobicContact CG-CG 4.21Å; G288-E292 PolarHBondContact O-N 2.77Å; M289-E292 PolarHBondContact O-N 3.3Å; E292-G294 VanDerWaalsContact C-N 3.31Å; E292-G294 PolarHBondContact O-N 2.94Å; E292-M295 PolarHBondContact O-N 3.4Å; E292-D296 PolarHBondContact O-N 2.83Å
293	L	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-45.1	-179.1	-178.8	61.8	0	0	0	111.4	L241 L248 M274 M275 V278 M289 M295 D296 L297 L312	L241-L293 HydrophobicContact CD1-CB 4.37Å; L241-L293 HydrophobicContact CD1-CD1 4.26Å; L241-L293 HydrophobicContact CD2-CB 3.85Å; L248-L293 HydrophobicContact CD1-CD1 4.25Å; L248-L293 HydrophobicContact CD2-CD1 4.28Å; M274-L293 HydrophobicContact CB-CD2 3.85Å; M274-L293 HydrophobicContact SD-CD1 4.15Å; M275-L293 HydrophobicContact CG-CD2 4.46Å; V278-L293 HydrophobicContact CG2-CD2 4Å; M289-L293 PolarHBondContact O-N 2.98Å; M289-L293 VanDerWaalsContact O-N 3.09Å; L293-M295 VanDerWaalsContact C-N 3.31Å; L293-M295 PolarHBondContact O-N 3.4Å; L293-D296 PolarHBondContact O-N 3.09Å; L293-L297 HydrophobicContact CD1-CD1 4.36Å; L293-L297 HydrophobicContact CD1-CG 4.44Å; L293-L297 HydrophobicContact CG-CD1 4.25Å; L293-L297 WeakPolarHBondContact O-CB 3.37Å; L293-L297 VanDerWaalsContact O-CG 3.24Å; L293-L297 WeakPolarHBondContact O-CG 3.38Å; L293-L297 PolarHBondContact O-N 3.34Å; L293-L297 VanDerWaalsContact O-N 3.11Å; L293-L312 HydrophobicContact CB-CD1 4.27Å; L293-L312 HydrophobicContact CD2-CD1 3.83Å; L293-L312 HydrophobicContact CG-CD1 3.83Å
294	G	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-41.9	176.7	0	0	0	0	0	112.2	G290 E292 F298	G290-G294 PolarHBondContact O-N 3.07Å; G290-G294 VanDerWaalsContact O-N 3.08Å; E292-G294 VanDerWaalsContact C-N 3.31Å; E292-G294 PolarHBondContact O-N 2.94Å; G294-F298 WeakPolarHBondContact O-CB 3.24Å; G294-F298 PolarHBondContact O-N 3.45Å
295	M	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.3	-40.6	-178.4	-171.2	57.3	72.1	0	0	111.9	P112 T221 H223 L291 E292 L293 F298 C299 L313 Y317	P112-M295 HydrophobicContact CB-CE 3.64Å; P112-M295 HydrophobicContact CB-SD 3.6Å; T221-M295 HydrophobicContact CG2-CB 4.43Å; T221-M295 HydrophobicContact CG2-CG 4.3Å; H223-M295 WeakPolarHBondContact NE2-CG 3.29Å; L291-M295 VanDerWaalsContact O-CB 3.22Å; L291-M295 WeakPolarHBondContact O-CB 3.48Å; L291-M295 PolarHBondContact O-N 3.39Å; E292-M295 PolarHBondContact O-N 3.4Å; L293-M295 VanDerWaalsContact C-N 3.31Å; L293-M295 PolarHBondContact O-N 3.4Å; M295-F298 WeakPolarHBondContact O-CB 3.43Å; M295-F298 PolarHBondContact O-N 2.89Å; M295-F298 HydrophobicContact SD-CD1 3.97Å; M295-C299 VanDerWaalsContact O-CB 3.29Å; M295-C299 WeakPolarHBondContact O-CB 3.46Å; M295-C299 PolarHBondContact O-N 3.39Å; M295-C299 PolarHBondContact O-SG 3.46Å; M295-L313 HydrophobicContact CB-CD2 4.44Å; M295-L313 HydrophobicContact CE-CD2 4.48Å; M295-Y317 VanDerWaalsContact CE-OH 3.26Å; M295-Y317 WeakPolarHBondContact CE-OH 3.11Å
296	D	98.9	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-41.7	177	-77.2	-13.9	0	0	0	111.8	T221 F222 L248 E292 L293 C299 Y300	T221-D296 VanDerWaalsContact CA-OD1 3.28Å; T221-D296 WeakPolarHBondContact CA-OD1 3.47Å; T221-D296 WeakPolarHBondContact CB-OD1 3.47Å; F222-D296 HydrophobicContact CD1-CB 4.11Å; F222-D296 VanDerWaalsContact CD1-CG 3.48Å; F222-D296 VanDerWaalsContact CD1-OD1 3.28Å; F222-D296 WeakPolarHBondContact CD1-OD1 3.5Å; F222-D296 HydrophobicContact CD2-CB 3.87Å; F222-D296 VanDerWaalsContact CD2-O 3.32Å; F222-D296 WeakPolarHBondContact CD2-O 3.45Å; F222-D296 HydrophobicContact CE1-CB 4.05Å; F222-D296 HydrophobicContact CE2-CB 3.82Å; F222-D296 HydrophobicContact CG-CB 4.02Å; F222-D296 WeakPolarHBondContact CG-OD1 3.27Å; F222-D296 HydrophobicContact CZ-CB 3.91Å; F222-D296 PolarHBondContact N-OD1 3.29Å; L248-D296 HydrophobicContact CD2-CB 3.79Å; E292-D296 PolarHBondContact O-N 2.83Å; L293-D296 PolarHBondContact O-N 3.09Å; D296-C299 PolarHBondContact O-N 2.57Å; D296-Y300 PolarHBondContact O-N 2.84Å
297	L	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-40.5	173.7	-68.7	178.1	0	0	0	112.1	I271 L293 Y300 G301 F305 V308 L312	I271-L297 HydrophobicContact CD1-CD2 4.05Å; L293-L297 HydrophobicContact CD1-CD1 4.36Å; L293-L297 HydrophobicContact CD1-CG 4.44Å; L293-L297 HydrophobicContact CG-CD1 4.25Å; L293-L297 WeakPolarHBondContact O-CB 3.37Å; L293-L297 VanDerWaalsContact O-CG 3.24Å; L293-L297 WeakPolarHBondContact O-CG 3.38Å; L293-L297 PolarHBondContact O-N 3.34Å; L293-L297 VanDerWaalsContact O-N 3.11Å; L297-Y300 PolarHBondContact O-N 3.17Å; L297-G301 PolarHBondContact O-N 3.07Å; L297-F305 HydrophobicContact CB-CB 4.11Å; L297-F305 HydrophobicContact CB-CG 4.46Å; L297-F305 HydrophobicContact CD2-CB 4.45Å; L297-F305 HydrophobicContact CD2-CD1 3.87Å; L297-F305 HydrophobicContact CD2-CD2 4.33Å; L297-F305 HydrophobicContact CD2-CE1 4.18Å; L297-F305 HydrophobicContact CD2-CG 3.97Å; L297-V308 HydrophobicContact CD1-CB 4.36Å; L297-V308 HydrophobicContact CD1-CG1 3.63Å; L297-L312 HydrophobicContact CD1-CD1 4.2Å
298	F	98.9	Very high	98.6	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-46.3	172	170.2	-93	0	0	0	111.3	D111 P112 G294 M295 Y300 G301 L313 I329 H332 L333 R336	D111-F298 WeakPolarHBondContact O-CZ 3.44Å; P112-F298 HydrophobicContact CB-CE1 4.27Å; G294-F298 WeakPolarHBondContact O-CB 3.24Å; G294-F298 PolarHBondContact O-N 3.45Å; M295-F298 WeakPolarHBondContact O-CB 3.43Å; M295-F298 PolarHBondContact O-N 2.89Å; M295-F298 HydrophobicContact SD-CD1 3.97Å; F298-Y300 VanDerWaalsContact C-N 3.33Å; F298-Y300 PolarHBondContact O-N 3.09Å; F298-G301 WeakPolarHBondContact O-CA 3.28Å; F298-G301 PolarHBondContact O-N 3.38Å; F298-G301 VanDerWaalsContact O-N 3.12Å; F298-L313 HydrophobicContact CB-CD1 4.09Å; F298-I329 HydrophobicContact CD2-CD1 3.74Å; F298-I329 HydrophobicContact CE2-CD1 3.81Å; F298-H332 AromaticContact CE2-CE1 3.92Å; F298-H332 AromaticContact CE2-ND1 3.71Å; F298-H332 AromaticContact CZ-CE1 3.77Å; F298-H332 AromaticContact CZ-ND1 3.82Å; F298-L333 HydrophobicContact CD2-CD2 4.15Å; F298-R336 VanDerWaalsContact CE2-NH2 3.26Å; F298-R336 PolarHBondContact O-NH1 3.26Å; F298-R336 VanDerWaalsContact O-NH1 3.12Å; F298-R336 PolarHBondContact O-NH2 2.89Å
299	C	98.8	Very high	98.6	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-28.8	-179.9	-73.6	0	0	0	0	113.3	Y110 C152 F222 H223 M295 D296 G301	Y110-C299 VanDerWaalsContact CE1-O 3.27Å; Y110-C299 WeakPolarHBondContact CE1-O 3.12Å; C152-C299 HydrophobicContact CB-CB 4.01Å; C152-C299 WeakPolarHBondContact CB-O 3.42Å; C152-C299 PolarHBondContact SG-O 3.45Å; C152-C299 VanDerWaalsContact SG-O 3.4Å; F222-C299 HydrophobicContact CB-CB 3.68Å; F222-C299 HydrophobicContact CD2-CB 4.35Å; H223-C299 VanDerWaalsContact CD2-SG 3.54Å; M295-C299 VanDerWaalsContact O-CB 3.29Å; M295-C299 WeakPolarHBondContact O-CB 3.46Å; M295-C299 PolarHBondContact O-N 3.39Å; M295-C299 PolarHBondContact O-SG 3.46Å; D296-C299 PolarHBondContact O-N 2.57Å; C299-G301 PolarHBondContact O-N 3.48Å
300	Y	98.8	Very high	98.5	Very high	65 Å²	65	26.5 Å²	26.5	26%	0.255	13%	0.13	S	C	.	.	H	α-helix	trans	-64.8	-31.1	172.5	-161.3	-85.9	0	0	0	111.5	F222 C252 K253 V256 D296 L297 F298 S302 F305	F222-Y300 HydrophobicContact CE2-CD2 4.33Å; C252-Y300 HydrophobicContact CB-CD1 3.95Å; C252-Y300 HydrophobicContact CB-CD2 3.37Å; C252-Y300 HydrophobicContact CB-CE1 3.88Å; C252-Y300 HydrophobicContact CB-CE2 3.29Å; C252-Y300 HydrophobicContact CB-CG 3.7Å; K253-Y300 WeakPolarHBondContact CA-OH 3.46Å; K253-Y300 WeakPolarHBondContact CB-OH 3.21Å; K253-Y300 PolarHBondContact N-OH 3.47Å; V256-Y300 HydrophobicContact CB-CE1 4.43Å; V256-Y300 HydrophobicContact CG2-CD1 4.33Å; V256-Y300 HydrophobicContact CG2-CE1 3.74Å; D296-Y300 PolarHBondContact O-N 2.84Å; L297-Y300 PolarHBondContact O-N 3.17Å; F298-Y300 VanDerWaalsContact C-N 3.33Å; F298-Y300 PolarHBondContact O-N 3.09Å; Y300-S302 PolarHBondContact O-N 3.35Å; Y300-F305 HydrophobicContact CD1-CD2 4.15Å; Y300-F305 AromaticContact CD1-CE2 3.55Å; Y300-F305 HydrophobicContact CD1-CE2 3.55Å; Y300-F305 HydrophobicContact CE1-CE2 4.13Å; Y300-F305 HydrophobicContact CG-CE2 4.13Å
301	G	97.8	Very high	98.5	Very high	10 Å²	10	31.1 Å²	31.1	10%	0.103	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	16.1	164.4	0	0	0	0	0	115.7	Y109 L297 F298 C299	Y109-G301 WeakPolarHBondContact CE1-O 3.28Å; Y109-G301 PolarHBondContact OH-O 2.75Å; L297-G301 PolarHBondContact O-N 3.07Å; F298-G301 WeakPolarHBondContact O-CA 3.28Å; F298-G301 PolarHBondContact O-N 3.38Å; F298-G301 VanDerWaalsContact O-N 3.12Å; C299-G301 PolarHBondContact O-N 3.48Å
302	S	98	Very high	98.5	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.091	15%	0.153	C	C	.	.			trans	-92.6	138.3	174.7	-173.8	0	0	0	0	111.9	V256 Y300 Y304 F305	V256-S302 VanDerWaalsContact CG2-CB 3.49Å; V256-S302 WeakPolarHBondContact CG2-OG 3.38Å; Y300-S302 PolarHBondContact O-N 3.35Å; S302-Y304 PolarHBondContact O-N 3.26Å; S302-Y304 WeakPolarHBondContact OG-CD2 3.5Å; S302-F305 PolarHBondContact O-N 2.93Å
303	H	97.2	Very high	98.5	Very high	119 Å²	119	31.1 Å²	31.1	55%	0.551	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-61.8	-24.8	178.7	70	-81.7	0	0	0	113.2	F305 H306	H303-F305 PolarHBondContact O-N 3.28Å; H303-F305 VanDerWaalsContact O-N 3.14Å; H303-H306 WeakPolarHBondContact O-CB 3.42Å; H303-H306 PolarHBondContact O-N 3.17Å; H303-H306 VanDerWaalsContact O-N 3.14Å
304	Y	98.3	Very high	98.5	Very high	80 Å²	80	31.4 Å²	31.4	31%	0.314	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-59.4	-23.6	174.2	-65.9	-58.6	0	0	0	113	V256 S302	V256-Y304 HydrophobicContact CG2-CD2 4.33Å; S302-Y304 PolarHBondContact O-N 3.26Å; S302-Y304 WeakPolarHBondContact OG-CD2 3.5Å
305	F	98.6	Very high	98.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-95.2	-7.8	-179.7	-55.2	-52.4	0	0	0	114.1	C252 I255 V256 F268 L297 Y300 S302 H303 K307 V308 A309	C252-F305 HydrophobicContact CB-CE2 4.01Å; C252-F305 HydrophobicContact CB-CZ 3.89Å; I255-F305 HydrophobicContact CB-CE1 4.2Å; I255-F305 HydrophobicContact CB-CZ 4.03Å; I255-F305 HydrophobicContact CD1-CE1 3.81Å; I255-F305 HydrophobicContact CD1-CZ 4.22Å; I255-F305 HydrophobicContact CG2-CE1 3.74Å; I255-F305 HydrophobicContact CG2-CZ 3.87Å; V256-F305 HydrophobicContact CG2-CE2 3.79Å; V256-F305 HydrophobicContact CG2-CZ 4.01Å; F268-F305 AromaticContact CE1-CD1 3.93Å; F268-F305 HydrophobicContact CE1-CD1 3.93Å; F268-F305 AromaticContact CE1-CE1 3.89Å; F268-F305 HydrophobicContact CE1-CE1 3.89Å; F268-F305 AromaticContact CZ-CD1 3.95Å; F268-F305 HydrophobicContact CZ-CD1 3.95Å; F268-F305 AromaticContact CZ-CE1 3.86Å; F268-F305 HydrophobicContact CZ-CE1 3.86Å; L297-F305 HydrophobicContact CB-CB 4.11Å; L297-F305 HydrophobicContact CB-CG 4.46Å; L297-F305 HydrophobicContact CD2-CB 4.45Å; L297-F305 HydrophobicContact CD2-CD1 3.87Å; L297-F305 HydrophobicContact CD2-CD2 4.33Å; L297-F305 HydrophobicContact CD2-CE1 4.18Å; L297-F305 HydrophobicContact CD2-CG 3.97Å; Y300-F305 HydrophobicContact CD1-CD2 4.15Å; Y300-F305 AromaticContact CD1-CE2 3.55Å; Y300-F305 HydrophobicContact CD1-CE2 3.55Å; Y300-F305 HydrophobicContact CE1-CE2 4.13Å; Y300-F305 HydrophobicContact CG-CE2 4.13Å; S302-F305 PolarHBondContact O-N 2.93Å; H303-F305 PolarHBondContact O-N 3.28Å; H303-F305 VanDerWaalsContact O-N 3.14Å; F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.39Å; F305-V308 PolarHBondContact O-N 3.38Å; F305-V308 VanDerWaalsContact O-N 3.13Å; F305-A309 WeakPolarHBondContact O-CB 3.31Å; F305-A309 PolarHBondContact O-N 3.48Å
306	H	98.1	Very high	98.5	Very high	45 Å²	45	34.6 Å²	34.6	21%	0.208	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-40.7	-175.3	-71.4	-172.7	0	0	0	112.4	H303 G310 L333	H303-H306 WeakPolarHBondContact O-CB 3.42Å; H303-H306 PolarHBondContact O-N 3.17Å; H303-H306 VanDerWaalsContact O-N 3.14Å; H306-G310 PolarHBondContact O-N 3.15Å; H306-L333 HydrophobicContact CB-CD2 4.43Å
307	K	98	Very high	98.5	Very high	160 Å²	160	34.6 Å²	34.6	70%	0.696	17%	0.171	S	C	*	.	H	α-helix	trans	-64.2	-45.4	178.5	-173.6	177.5	-179.2	-179	0	112.1	F305 G310 Q311	F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.39Å; K307-G310 PolarHBondContact O-N 3.39Å; K307-Q311 WeakPolarHBondContact O-CG 3.47Å; K307-Q311 PolarHBondContact O-N 3.45Å; K307-Q311 VanDerWaalsContact O-N 3.15Å
308	V	98.3	Very high	98.5	Very high	18 Å²	18	38 Å²	38	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-44.7	-178.8	173.4	0	0	0	0	110.8	F268 I271 M275 L297 F305 G310 Q311 L312	F268-V308 HydrophobicContact CE1-CG2 4.49Å; I271-V308 HydrophobicContact CG2-CG1 4.11Å; M275-V308 HydrophobicContact CE-CG1 4.08Å; M275-V308 HydrophobicContact CG-CG1 4.17Å; M275-V308 HydrophobicContact SD-CB 4.4Å; M275-V308 HydrophobicContact SD-CG1 3.51Å; M275-V308 VanDerWaalsContact SD-CG1 3.51Å; M275-V308 HydrophobicContact SD-CG2 4.12Å; L297-V308 HydrophobicContact CD1-CB 4.36Å; L297-V308 HydrophobicContact CD1-CG1 3.63Å; F305-V308 PolarHBondContact O-N 3.38Å; F305-V308 VanDerWaalsContact O-N 3.13Å; V308-G310 VanDerWaalsContact C-N 3.26Å; V308-G310 PolarHBondContact O-N 3.25Å; V308-Q311 WeakPolarHBondContact O-CB 3.37Å; V308-Q311 PolarHBondContact O-N 2.92Å; V308-L312 HydrophobicContact CG1-CD1 3.73Å; V308-L312 HydrophobicContact CG1-CG 4.39Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 3.35Å
309	A	98.7	Very high	98.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-39.1	173.7	0	0	0	0	0	111.5	F305 Q311 L312 L313 L333	F305-A309 WeakPolarHBondContact O-CB 3.31Å; F305-A309 PolarHBondContact O-N 3.48Å; A309-Q311 VanDerWaalsContact C-N 3.25Å; A309-Q311 PolarHBondContact O-N 2.89Å; A309-L312 PolarHBondContact O-N 2.88Å; A309-L313 HydrophobicContact CB-CD1 4.34Å; A309-L313 WeakPolarHBondContact O-CB 3.23Å; A309-L313 PolarHBondContact O-N 3.32Å; A309-L333 HydrophobicContact CB-CD1 4.08Å
310	G	98.4	Very high	98.5	Very high	32 Å²	32	41.7 Å²	41.7	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-70.7	-13.6	175	0	0	0	0	0	114.9	H306 K307 V308 P314	H306-G310 PolarHBondContact O-N 3.15Å; K307-G310 PolarHBondContact O-N 3.39Å; V308-G310 VanDerWaalsContact C-N 3.26Å; V308-G310 PolarHBondContact O-N 3.25Å; G310-P314 VanDerWaalsContact O-CD 3.31Å; G310-P314 WeakPolarHBondContact O-CD 3.48Å; G310-P314 VanDerWaalsContact O-CG 3.32Å; G310-P314 WeakPolarHBondContact O-CG 3.35Å
311	Q	98.6	Very high	98.5	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-89.2	-35.2	170	-71.3	169	-34.5	0	0	111.7	M275 K307 V308 A309	M275-Q311 HydrophobicContact CE-CB 4.35Å; K307-Q311 WeakPolarHBondContact O-CG 3.47Å; K307-Q311 PolarHBondContact O-N 3.45Å; K307-Q311 VanDerWaalsContact O-N 3.15Å; V308-Q311 WeakPolarHBondContact O-CB 3.37Å; V308-Q311 PolarHBondContact O-N 2.92Å; A309-Q311 VanDerWaalsContact C-N 3.25Å; A309-Q311 PolarHBondContact O-N 2.89Å
312	L	98.9	Very high	98.5	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-83.5	-55	-175.3	-67.6	168.2	0	0	0	112.5	M275 V278 L293 L297 V308 A309 L315 A316	M275-L312 HydrophobicContact CG-CD2 4.42Å; V278-L312 HydrophobicContact CB-CD2 4.33Å; V278-L312 HydrophobicContact CG1-CD2 3.79Å; V278-L312 HydrophobicContact CG2-CD2 4.49Å; L293-L312 HydrophobicContact CB-CD1 4.27Å; L293-L312 HydrophobicContact CD2-CD1 3.83Å; L293-L312 HydrophobicContact CG-CD1 3.83Å; L297-L312 HydrophobicContact CD1-CD1 4.2Å; V308-L312 HydrophobicContact CG1-CD1 3.73Å; V308-L312 HydrophobicContact CG1-CG 4.39Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 3.35Å; A309-L312 PolarHBondContact O-N 2.88Å; L312-L315 PolarHBondContact O-N 3.03Å; L312-A316 VanDerWaalsContact O-CB 3.31Å; L312-A316 WeakPolarHBondContact O-CB 3.38Å; L312-A316 PolarHBondContact O-N 3.3Å
313	L	98.9	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-50.1	-169.1	-69.5	173.5	0	0	0	112.9	L291 M295 F298 A309 L315 A316 Y317 I329	L291-L313 HydrophobicContact CD1-CD2 3.79Å; M295-L313 HydrophobicContact CB-CD2 4.44Å; M295-L313 HydrophobicContact CE-CD2 4.48Å; F298-L313 HydrophobicContact CB-CD1 4.09Å; A309-L313 HydrophobicContact CB-CD1 4.34Å; A309-L313 WeakPolarHBondContact O-CB 3.23Å; A309-L313 PolarHBondContact O-N 3.32Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.26Å; L313-A316 PolarHBondContact O-N 3.09Å; L313-Y317 HydrophobicContact CB-CD2 4.35Å; L313-Y317 HydrophobicContact CB-CE2 4.16Å; L313-Y317 HydrophobicContact CD2-CE2 4.29Å; L313-Y317 WeakPolarHBondContact O-CB 3.38Å; L313-Y317 WeakPolarHBondContact O-CD2 3.47Å; L313-Y317 PolarHBondContact O-N 3.18Å; L313-I329 HydrophobicContact CB-CG1 4.03Å; L313-I329 HydrophobicContact CB-CG2 4.02Å; L313-I329 HydrophobicContact CD1-CD1 3.9Å; L313-I329 HydrophobicContact CD1-CG1 3.63Å; L313-I329 HydrophobicContact CG-CG1 4.47Å
314	P	98.9	Very high	98.6	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.045	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-42.4	178.6	-24.1	35.1	0	0	0	112.5	G310 N318 A326 I329 E330	G310-P314 VanDerWaalsContact O-CD 3.31Å; G310-P314 WeakPolarHBondContact O-CD 3.48Å; G310-P314 VanDerWaalsContact O-CG 3.32Å; G310-P314 WeakPolarHBondContact O-CG 3.35Å; P314-N318 WeakPolarHBondContact O-CB 3.36Å; P314-N318 PolarHBondContact O-N 3.36Å; P314-N318 PolarHBondContact O-ND2 3.09Å; P314-A326 HydrophobicContact CB-CB 4.18Å; P314-I329 HydrophobicContact CG-CG2 3.89Å; P314-E330 HydrophobicContact CB-CG 4.12Å; P314-E330 WeakPolarHBondContact CB-OE1 3.36Å; P314-E330 HydrophobicContact CG-CG 3.69Å
315	L	98.8	Very high	98.7	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.346	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-49.9	177.4	178.3	60.6	0	0	0	111.4	L312 L313 Y317 N318 L319	L312-L315 PolarHBondContact O-N 3.03Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.26Å; L315-Y317 PolarHBondContact O-N 3.18Å; L315-N318 PolarHBondContact O-N 2.98Å; L315-L319 HydrophobicContact CD1-CD1 3.92Å; L315-L319 HydrophobicContact CD1-CG 4.08Å; L315-L319 HydrophobicContact CG-CD1 3.86Å; L315-L319 HydrophobicContact CG-CG 4.43Å; L315-L319 WeakPolarHBondContact O-CG 3.08Å; L315-L319 PolarHBondContact O-N 3.32Å
316	A	98.8	Very high	98.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-44.1	-179.7	0	0	0	0	0	111.8	L291 L312 L313 N318 L319 L320	L291-A316 HydrophobicContact CB-CB 3.96Å; L291-A316 HydrophobicContact CD1-CB 4.45Å; L312-A316 VanDerWaalsContact O-CB 3.31Å; L312-A316 WeakPolarHBondContact O-CB 3.38Å; L312-A316 PolarHBondContact O-N 3.3Å; L313-A316 PolarHBondContact O-N 3.09Å; A316-N318 PolarHBondContact O-N 3.47Å; A316-L319 PolarHBondContact O-N 2.63Å; A316-L320 WeakPolarHBondContact O-CB 3.36Å; A316-L320 VanDerWaalsContact O-CG 3.29Å; A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 3Å
317	Y	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-43.4	175	-75.2	-53	0	0	0	112.3	P113 E114 L291 M295 L313 L315 L320 K321 R322 F325 I329	P113-Y317 HydrophobicContact CB-CE2 4.4Å; P113-Y317 HydrophobicContact CG-CE2 3.81Å; E114-Y317 VanDerWaalsContact OE1-CE1 3.25Å; E114-Y317 WeakPolarHBondContact OE1-CE1 3.35Å; E114-Y317 PolarHBondContact OE1-OH 3.22Å; E114-Y317 PolarHBondContact OE2-OH 3.03Å; E114-Y317 VanDerWaalsContact OE2-OH 3.06Å; L291-Y317 HydrophobicContact CD1-CD1 4.11Å; L291-Y317 HydrophobicContact CD1-CE1 3.59Å; L291-Y317 HydrophobicContact CD1-CE2 4.14Å; M295-Y317 VanDerWaalsContact CE-OH 3.26Å; M295-Y317 WeakPolarHBondContact CE-OH 3.11Å; L313-Y317 HydrophobicContact CB-CD2 4.35Å; L313-Y317 HydrophobicContact CB-CE2 4.16Å; L313-Y317 HydrophobicContact CD2-CE2 4.29Å; L313-Y317 WeakPolarHBondContact O-CB 3.38Å; L313-Y317 WeakPolarHBondContact O-CD2 3.47Å; L313-Y317 PolarHBondContact O-N 3.18Å; L315-Y317 PolarHBondContact O-N 3.18Å; Y317-L320 CarbonylContact O-C 3.55Å; Y317-L320 PolarHBondContact O-N 2.97Å; Y317-K321 PolarHBondContact O-N 3.36Å; Y317-R322 HydrophobicContact CD1-CB 3.93Å; Y317-R322 WeakPolarHBondContact O-CA 3.36Å; Y317-R322 PolarHBondContact O-N 2.98Å; Y317-F325 HydrophobicContact CD1-CB 3.56Å; Y317-F325 AromaticContact CD1-CD2 3.98Å; Y317-F325 HydrophobicContact CD1-CD2 3.98Å; Y317-F325 HydrophobicContact CD1-CG 4.3Å; Y317-F325 HydrophobicContact CD2-CB 3.89Å; Y317-F325 HydrophobicContact CE1-CB 3.67Å; Y317-F325 AromaticContact CE1-CD2 3.66Å; Y317-F325 HydrophobicContact CE1-CD2 3.66Å; Y317-F325 HydrophobicContact CE1-CG 4.15Å; Y317-F325 HydrophobicContact CE2-CB 4.01Å; Y317-F325 HydrophobicContact CG-CB 3.67Å; Y317-I329 HydrophobicContact CD2-CG2 4.21Å; Y317-I329 HydrophobicContact CE2-CG2 4.29Å
318	N	98.8	Very high	98.7	Very high	71 Å²	71	35.6 Å²	35.6	38%	0.38	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-41.9	177.9	-72.6	-29.6	0	0	0	112.2	P314 L315 A316 L320 K321 N323 A326	P314-N318 WeakPolarHBondContact O-CB 3.36Å; P314-N318 PolarHBondContact O-N 3.36Å; P314-N318 PolarHBondContact O-ND2 3.09Å; L315-N318 PolarHBondContact O-N 2.98Å; A316-N318 PolarHBondContact O-N 3.47Å; N318-L320 VanDerWaalsContact C-N 3.29Å; N318-L320 PolarHBondContact O-N 3.48Å; N318-K321 WeakPolarHBondContact O-CA 3.36Å; N318-K321 PolarHBondContact O-N 2.88Å; N318-N323 PolarHBondContact OD1-OD1 2.96Å; N318-A326 WeakPolarHBondContact OD1-CB 3.44Å
319	L	98.6	Very high	98.8	Very high	59 Å²	59	34.8 Å²	34.8	31%	0.309	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-36.6	175	-69.2	169.7	0	0	0	111.9	N282 Y287 L315 A316 K321	N282-L319 HydrophobicContact CB-CD1 4.17Å; Y287-L319 HydrophobicContact CD1-CB 3.69Å; Y287-L319 HydrophobicContact CD1-CD1 3.55Å; Y287-L319 HydrophobicContact CD1-CD2 4.47Å; Y287-L319 HydrophobicContact CD1-CG 4.09Å; Y287-L319 HydrophobicContact CD2-CB 4.06Å; Y287-L319 HydrophobicContact CE1-CB 3.9Å; Y287-L319 HydrophobicContact CE1-CD1 3.77Å; Y287-L319 HydrophobicContact CE1-CD2 3.96Å; Y287-L319 HydrophobicContact CE1-CG 4.08Å; Y287-L319 HydrophobicContact CE2-CB 4.28Å; Y287-L319 HydrophobicContact CG-CB 3.76Å; Y287-L319 HydrophobicContact CG-CD1 4.37Å; L315-L319 HydrophobicContact CD1-CD1 3.92Å; L315-L319 HydrophobicContact CD1-CG 4.08Å; L315-L319 HydrophobicContact CG-CD1 3.86Å; L315-L319 HydrophobicContact CG-CG 4.43Å; L315-L319 WeakPolarHBondContact O-CG 3.08Å; L315-L319 PolarHBondContact O-N 3.32Å; A316-L319 PolarHBondContact O-N 2.63Å; L319-K321 PolarHBondContact O-N 2.93Å
320	L	98.7	Very high	98.8	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.12	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.2	172.9	-70	167.4	0	0	0	113.9	V229 Y287 L291 A316 Y317 N318 R322	V229-L320 HydrophobicContact CB-CD2 4.1Å; V229-L320 HydrophobicContact CG1-CD1 3.94Å; V229-L320 HydrophobicContact CG1-CD2 4.07Å; Y287-L320 HydrophobicContact CD2-CD2 4.33Å; L291-L320 HydrophobicContact CD2-CD1 3.69Å; A316-L320 WeakPolarHBondContact O-CB 3.36Å; A316-L320 VanDerWaalsContact O-CG 3.29Å; A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 3Å; Y317-L320 CarbonylContact O-C 3.55Å; Y317-L320 PolarHBondContact O-N 2.97Å; N318-L320 VanDerWaalsContact C-N 3.29Å; N318-L320 PolarHBondContact O-N 3.48Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 HydrophobicContact CB-CG 4.11Å; L320-R322 PolarHBondContact O-N 3.33Å
321	K	98.8	Very high	98.7	Very high	163 Å²	163	40.5 Å²	40.5	71%	0.709	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	30.3	-176	-53.2	179.6	-179.3	176.7	0	114	Y317 N318 L319	Y317-K321 PolarHBondContact O-N 3.36Å; N318-K321 WeakPolarHBondContact O-CA 3.36Å; N318-K321 PolarHBondContact O-N 2.88Å; L319-K321 PolarHBondContact O-N 2.93Å
322	R	98.8	Very high	98.7	Very high	16 Å²	16	36 Å²	36	6%	0.06	18%	0.177	C	C	.	.			trans	-102.6	49.1	176.6	-58.9	-179.6	-178	168.6	-1	110.9	D134 P136 V228 Y317 L320 L324 F325 A326	D134-R322 PolarHBondContact O-NE 2.77Å; D134-R322 PolarHBondContact O-NH1 3.36Å; D134-R322 PolarHBondContact O-NH2 3.26Å; P136-R322 HydrophobicContact CG-CB 4.29Å; V228-R322 PolarHBondContact O-NH1 3.24Å; V228-R322 PolarHBondContact O-NH2 3.18Å; Y317-R322 HydrophobicContact CD1-CB 3.93Å; Y317-R322 WeakPolarHBondContact O-CA 3.36Å; Y317-R322 PolarHBondContact O-N 2.98Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 HydrophobicContact CB-CG 4.11Å; L320-R322 PolarHBondContact O-N 3.33Å; R322-L324 PolarHBondContact O-N 2.87Å; R322-L324 VanDerWaalsContact O-N 3.08Å; R322-F325 HydrophobicContact CB-CB 4.36Å; R322-F325 HydrophobicContact CB-CD2 4.11Å; R322-F325 HydrophobicContact CB-CG 4.45Å; R322-F325 WeakPolarHBondContact O-CB 3.41Å; R322-F325 PolarHBondContact O-N 3.3Å; R322-A326 PolarHBondContact O-N 2.64Å
323	N	98.7	Very high	98.6	Very high	86 Å²	86	36.6 Å²	36.6	46%	0.46	18%	0.181	S	C	.	.	H	α-helix	trans	-56.1	-34.2	-167.1	-52.1	-40.1	0	0	0	113.5	N318 F325 A326 E327	N318-N323 PolarHBondContact OD1-OD1 2.96Å; N323-F325 VanDerWaalsContact C-N 3.28Å; N323-F325 PolarHBondContact O-N 3.1Å; N323-A326 WeakPolarHBondContact O-CA 3.42Å; N323-A326 VanDerWaalsContact O-CB 3.28Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.7Å; N323-A326 VanDerWaalsContact O-N 3.09Å; N323-E327 PolarHBondContact O-N 3.25Å
324	L	98.8	Very high	98.5	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-36.8	175.5	179.5	59.3	0	0	0	112.6	K46 L47 P136 R322 A326 E327 I328	K46-L324 HydrophobicContact CB-CD1 4.02Å; K46-L324 HydrophobicContact CB-CD2 3.76Å; K46-L324 HydrophobicContact CD-CD1 3.73Å; K46-L324 HydrophobicContact CG-CD1 4.49Å; K46-L324 VanDerWaalsContact O-CD2 3.26Å; K46-L324 WeakPolarHBondContact O-CD2 3.31Å; L47-L324 HydrophobicContact CD2-CD2 3.63Å; L47-L324 HydrophobicContact CG-CD2 3.73Å; P136-L324 HydrophobicContact CB-CB 3.95Å; P136-L324 HydrophobicContact CB-CD2 3.93Å; P136-L324 HydrophobicContact CB-CG 4.44Å; P136-L324 HydrophobicContact CG-CB 4.25Å; R322-L324 PolarHBondContact O-N 2.87Å; R322-L324 VanDerWaalsContact O-N 3.08Å; L324-A326 VanDerWaalsContact C-N 3.29Å; L324-A326 PolarHBondContact O-N 3.13Å; L324-E327 PolarHBondContact O-N 3.42Å; L324-I328 HydrophobicContact CD1-CD1 4.35Å; L324-I328 HydrophobicContact CD1-CG1 4.41Å; L324-I328 HydrophobicContact CG-CD1 4.01Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.31Å; L324-I328 PolarHBondContact O-N 3.34Å
325	F	98.9	Very high	98.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-30.2	176.3	-68.3	-8.7	0	0	0	111.8	P113 E114 R133 P136 Y317 R322 N323 I328 I329	P113-F325 HydrophobicContact CB-CB 3.62Å; P113-F325 HydrophobicContact CB-CD1 3.89Å; P113-F325 HydrophobicContact CB-CD2 4.43Å; P113-F325 HydrophobicContact CB-CG 3.74Å; P113-F325 HydrophobicContact CG-CB 4.42Å; E114-F325 HydrophobicContact CG-CD2 4.38Å; E114-F325 HydrophobicContact CG-CE2 3.86Å; E114-F325 HydrophobicContact CG-CZ 4.4Å; R133-F325 HydrophobicContact CB-CZ 4.17Å; P136-F325 HydrophobicContact CB-CD1 4.26Å; P136-F325 HydrophobicContact CB-CE1 3.93Å; P136-F325 HydrophobicContact CB-CZ 4.28Å; P136-F325 HydrophobicContact CG-CE1 4.49Å; Y317-F325 HydrophobicContact CD1-CB 3.56Å; Y317-F325 AromaticContact CD1-CD2 3.98Å; Y317-F325 HydrophobicContact CD1-CD2 3.98Å; Y317-F325 HydrophobicContact CD1-CG 4.3Å; Y317-F325 HydrophobicContact CD2-CB 3.89Å; Y317-F325 HydrophobicContact CE1-CB 3.67Å; Y317-F325 AromaticContact CE1-CD2 3.66Å; Y317-F325 HydrophobicContact CE1-CD2 3.66Å; Y317-F325 HydrophobicContact CE1-CG 4.15Å; Y317-F325 HydrophobicContact CE2-CB 4.01Å; Y317-F325 HydrophobicContact CG-CB 3.67Å; R322-F325 HydrophobicContact CB-CB 4.36Å; R322-F325 HydrophobicContact CB-CD2 4.11Å; R322-F325 HydrophobicContact CB-CG 4.45Å; R322-F325 WeakPolarHBondContact O-CB 3.41Å; R322-F325 PolarHBondContact O-N 3.3Å; N323-F325 VanDerWaalsContact C-N 3.28Å; N323-F325 PolarHBondContact O-N 3.1Å; F325-I328 HydrophobicContact CD1-CD1 4.13Å; F325-I329 WeakPolarHBondContact O-CG2 3.46Å; F325-I329 PolarHBondContact O-N 3.04Å
326	A	98.9	Very high	98	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-48.1	169.3	0	0	0	0	0	111.3	P314 N318 R322 N323 L324 I328 I329 E330	P314-A326 HydrophobicContact CB-CB 4.18Å; N318-A326 WeakPolarHBondContact OD1-CB 3.44Å; R322-A326 PolarHBondContact O-N 2.64Å; N323-A326 WeakPolarHBondContact O-CA 3.42Å; N323-A326 VanDerWaalsContact O-CB 3.28Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.7Å; N323-A326 VanDerWaalsContact O-N 3.09Å; L324-A326 VanDerWaalsContact C-N 3.29Å; L324-A326 PolarHBondContact O-N 3.13Å; A326-I328 VanDerWaalsContact C-N 3.35Å; A326-I328 PolarHBondContact O-N 2.69Å; A326-I329 VanDerWaalsContact O-CG2 3.29Å; A326-I329 WeakPolarHBondContact O-CG2 3.46Å; A326-I329 PolarHBondContact O-N 2.66Å; A326-E330 VanDerWaalsContact O-CG 3.31Å; A326-E330 WeakPolarHBondContact O-CG 3.5Å; A326-E330 PolarHBondContact O-N 3.23Å
327	E	98.7	Very high	97.4	Very high	78 Å²	78	45.2 Å²	45.2	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-57.4	-47.2	175.4	-66.9	177.6	-151.7	0	0	111.6	K46 N323 L324 I329 E330 D331	K46-E327 IonicContact NZ-OE1 3.53Å; K46-E327 IonicContact NZ-OE2 2.74Å; K46-E327 PolarHBondContact NZ-OE2 2.76Å; N323-E327 PolarHBondContact O-N 3.25Å; L324-E327 PolarHBondContact O-N 3.42Å; E327-I329 PolarHBondContact O-N 2.88Å; E327-E330 PolarHBondContact O-N 3.38Å; E327-D331 WeakPolarHBondContact O-CB 3.5Å; E327-D331 PolarHBondContact O-N 3.09Å
328	I	98.7	Very high	96.7	Very high	3 Å²	3	51 Å²	51	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-45.6	-179.2	-70.7	166.9	0	0	0	111.3	N103 R107 P113 L324 F325 A326 H332	N103-I328 HydrophobicContact CB-CG1 3.95Å; R107-I328 VanDerWaalsContact CZ-CG2 3.42Å; P113-I328 HydrophobicContact CB-CB 4.17Å; P113-I328 HydrophobicContact CB-CG2 3.93Å; P113-I328 HydrophobicContact CG-CG2 4.18Å; L324-I328 HydrophobicContact CD1-CD1 4.35Å; L324-I328 HydrophobicContact CD1-CG1 4.41Å; L324-I328 HydrophobicContact CG-CD1 4.01Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.31Å; L324-I328 PolarHBondContact O-N 3.34Å; F325-I328 HydrophobicContact CD1-CD1 4.13Å; A326-I328 VanDerWaalsContact C-N 3.35Å; A326-I328 PolarHBondContact O-N 2.69Å; I328-H332 WeakPolarHBondContact O-CB 3.4Å; I328-H332 PolarHBondContact O-N 2.94Å
329	I	98.8	Very high	95.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.1	-33.2	-176.9	-166.4	61.3	0	0	0	112.2	P113 F298 L313 P314 Y317 F325 A326 E327 H332 L333	P113-I329 HydrophobicContact CG-CB 3.76Å; P113-I329 HydrophobicContact CG-CD1 4.24Å; P113-I329 HydrophobicContact CG-CG1 4.4Å; F298-I329 HydrophobicContact CD2-CD1 3.74Å; F298-I329 HydrophobicContact CE2-CD1 3.81Å; L313-I329 HydrophobicContact CB-CG1 4.03Å; L313-I329 HydrophobicContact CB-CG2 4.02Å; L313-I329 HydrophobicContact CD1-CD1 3.9Å; L313-I329 HydrophobicContact CD1-CG1 3.63Å; L313-I329 HydrophobicContact CG-CG1 4.47Å; P314-I329 HydrophobicContact CG-CG2 3.89Å; Y317-I329 HydrophobicContact CD2-CG2 4.21Å; Y317-I329 HydrophobicContact CE2-CG2 4.29Å; F325-I329 WeakPolarHBondContact O-CG2 3.46Å; F325-I329 PolarHBondContact O-N 3.04Å; A326-I329 VanDerWaalsContact O-CG2 3.29Å; A326-I329 WeakPolarHBondContact O-CG2 3.46Å; A326-I329 PolarHBondContact O-N 2.66Å; E327-I329 PolarHBondContact O-N 2.88Å; I329-H332 PolarHBondContact O-N 3.23Å; I329-L333 HydrophobicContact CD1-CD1 4.29Å; I329-L333 HydrophobicContact CD1-CG 4.02Å; I329-L333 HydrophobicContact CG1-CD1 3.9Å; I329-L333 HydrophobicContact CG1-CG 4.09Å; I329-L333 VanDerWaalsContact O-CB 3.32Å; I329-L333 WeakPolarHBondContact O-CB 3.41Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 2.99Å
330	E	98.5	Very high	94.8	Very high	105 Å²	105	57.6 Å²	57.6	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-52	173.4	-73.4	176.1	-177	0	0	110.8	P314 A326 E327 H332 L333 A334	P314-E330 HydrophobicContact CB-CG 4.12Å; P314-E330 WeakPolarHBondContact CB-OE1 3.36Å; P314-E330 HydrophobicContact CG-CG 3.69Å; A326-E330 VanDerWaalsContact O-CG 3.31Å; A326-E330 WeakPolarHBondContact O-CG 3.5Å; A326-E330 PolarHBondContact O-N 3.23Å; E327-E330 PolarHBondContact O-N 3.38Å; E330-H332 VanDerWaalsContact C-N 3.28Å; E330-H332 PolarHBondContact O-N 2.99Å; E330-L333 PolarHBondContact O-N 3.03Å; E330-A334 VanDerWaalsContact O-CB 3.31Å; E330-A334 WeakPolarHBondContact O-CB 3.39Å; E330-A334 PolarHBondContact O-N 3.35Å
331	D	97.2	Very high	94.2	Very high	48 Å²	48	57.2 Å²	57.2	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-44.4	176	-76	-26.1	0	0	0	111.4	N101 N103 L104 E327 N335	N101-D331 PolarHBondContact ND2-OD2 3.38Å; N103-D331 PolarHBondContact ND2-OD2 3.37Å; L104-D331 HydrophobicContact CD1-CB 4.44Å; L104-D331 HydrophobicContact CD2-CB 4Å; L104-D331 HydrophobicContact CG-CB 4.3Å; E327-D331 WeakPolarHBondContact O-CB 3.5Å; E327-D331 PolarHBondContact O-N 3.09Å; D331-N335 PolarHBondContact O-N 3.17Å; D331-N335 VanDerWaalsContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 2.99Å
332	H	97.9	Very high	93.8	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-70.5	-44.9	-175.5	-171.2	-162.3	0	0	0	111.5	L104 R107 F108 F298 I328 I329 E330 A334 N335 R336	L104-H332 HydrophobicContact CD2-CB 3.96Å; R107-H332 VanDerWaalsContact CD-CG 3.5Å; R107-H332 WeakPolarHBondContact CD-ND1 3.28Å; F108-H332 PolarHBondContact O-CE1 3.05Å; F108-H332 VanDerWaalsContact O-CE1 3.26Å; F108-H332 PolarHBondContact O-NE2 3.47Å; F298-H332 AromaticContact CE2-CE1 3.92Å; F298-H332 AromaticContact CE2-ND1 3.71Å; F298-H332 AromaticContact CZ-CE1 3.77Å; F298-H332 AromaticContact CZ-ND1 3.82Å; I328-H332 WeakPolarHBondContact O-CB 3.4Å; I328-H332 PolarHBondContact O-N 2.94Å; I329-H332 PolarHBondContact O-N 3.23Å; E330-H332 VanDerWaalsContact C-N 3.28Å; E330-H332 PolarHBondContact O-N 2.99Å; H332-A334 VanDerWaalsContact C-N 3.3Å; H332-A334 PolarHBondContact O-N 3.01Å; H332-N335 CarbonylContact O-C 3.52Å; H332-N335 VanDerWaalsContact O-C 3.3Å; H332-N335 PolarHBondContact O-N 3.4Å; H332-R336 WeakPolarHBondContact O-CA 3.37Å; H332-R336 WeakPolarHBondContact O-CB 3.33Å; H332-R336 PolarHBondContact O-N 3.38Å
333	L	97.7	Very high	93.2	Very high	19 Å²	19	53 Å²	53	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-34.1	177	-73.1	174.7	0	0	0	112.2	F298 H306 A309 I329 E330 N335	F298-L333 HydrophobicContact CD2-CD2 4.15Å; H306-L333 HydrophobicContact CB-CD2 4.43Å; A309-L333 HydrophobicContact CB-CD1 4.08Å; I329-L333 HydrophobicContact CD1-CD1 4.29Å; I329-L333 HydrophobicContact CD1-CG 4.02Å; I329-L333 HydrophobicContact CG1-CD1 3.9Å; I329-L333 HydrophobicContact CG1-CG 4.09Å; I329-L333 VanDerWaalsContact O-CB 3.32Å; I329-L333 WeakPolarHBondContact O-CB 3.41Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 2.99Å; E330-L333 PolarHBondContact O-N 3.03Å; L333-N335 VanDerWaalsContact C-N 3.34Å
334	A	96.3	Very high	92.6	Very high	75 Å²	75	50.4 Å²	50.4	62%	0.62	26%	0.264	S	S	*	.	H	α-helix	trans	-68	-33.3	175.9	0	0	0	0	0	112.7	E330 H332	E330-A334 VanDerWaalsContact O-CB 3.31Å; E330-A334 WeakPolarHBondContact O-CB 3.39Å; E330-A334 PolarHBondContact O-N 3.35Å; H332-A334 VanDerWaalsContact C-N 3.3Å; H332-A334 PolarHBondContact O-N 3.01Å
335	N	94.3	Very high	91.5	Very high	104 Å²	104	53.4 Å²	53.4	56%	0.556	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	40.6	-174.8	-60.4	-78.2	0	0	0	112.5	L104 D331 H332 L333 S337	L104-N335 HydrophobicContact CD1-CB 3.87Å; D331-N335 PolarHBondContact O-N 3.17Å; D331-N335 VanDerWaalsContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 2.99Å; H332-N335 CarbonylContact O-C 3.52Å; H332-N335 VanDerWaalsContact O-C 3.3Å; H332-N335 PolarHBondContact O-N 3.4Å; L333-N335 VanDerWaalsContact C-N 3.34Å; N335-S337 PolarHBondContact O-N 2.83Å
336	R	92.9	Very high	89.4	Confident	25 Å²	25	58.2 Å²	58.2	9%	0.094	33%	0.331	C	S	.	.			trans	-73	83.9	-171.9	-157	-178.1	-179.3	179.2	1.3	111.9	Y109 F298 H332	Y109-R336 HydrophobicContact CD2-CG 3.84Å; Y109-R336 HydrophobicContact CE2-CG 3.81Å; Y109-R336 PolarHBondContact O-NE 3.34Å; Y109-R336 PolarHBondContact O-NH2 3.3Å; F298-R336 VanDerWaalsContact CE2-NH2 3.26Å; F298-R336 PolarHBondContact O-NH1 3.26Å; F298-R336 VanDerWaalsContact O-NH1 3.12Å; F298-R336 PolarHBondContact O-NH2 2.89Å; H332-R336 WeakPolarHBondContact O-CA 3.37Å; H332-R336 WeakPolarHBondContact O-CB 3.33Å; H332-R336 PolarHBondContact O-N 3.38Å
337	S	87.3	Confident	88.9	Confident	50 Å²	50	61.1 Å²	61.1	35%	0.35	35%	0.347	S	S	.	.			trans	-94.4	147.1	-175.1	-167.9	0	0	0	0	113.2	N335 E339	N335-S337 PolarHBondContact O-N 2.83Å; S337-E339 VanDerWaalsContact CB-O 3.26Å; S337-E339 WeakPolarHBondContact CB-O 3.42Å; S337-E339 PolarHBondContact OG-N 2.84Å; S337-E339 VanDerWaalsContact OG-N 3.16Å; S337-E339 PolarHBondContact OG-O 3.03Å
338	K	84.6	Confident	88.4	Confident	121 Å²	121	60.2 Å²	60.2	53%	0.526	35%	0.346	S	S	.	.	S	Bend	trans	-91.6	-14.1	168.6	-66.3	-178	179.8	178.8	0	112.7	Y109 Q126	Y109-K338 HydrophobicContact CD2-CD 4.39Å; Y109-K338 HydrophobicContact CD2-CG 3.53Å; Y109-K338 HydrophobicContact CE2-CG 4.01Å; Y109-K338 HydrophobicContact CG-CG 4.06Å; Q126-K338 PolarHBondContact NE2-O 2.96Å
339	E	80.3	Confident	87.8	Confident	140 Å²	140	63.3 Å²	63.3	65%	0.654	36%	0.364	S	S	*	.	S	Bend	trans	-129.3	161.9	-174.5	-61.2	-179.8	179.8	0	0	109.4	S337 I341	S337-E339 VanDerWaalsContact CB-O 3.26Å; S337-E339 WeakPolarHBondContact CB-O 3.42Å; S337-E339 PolarHBondContact OG-N 2.84Å; S337-E339 VanDerWaalsContact OG-N 3.16Å; S337-E339 PolarHBondContact OG-O 3.03Å; E339-I341 VanDerWaalsContact C-N 3.27Å; E339-I341 PolarHBondContact O-N 3.27Å
340	N	75.9	Confident	87.2	Confident	129 Å²	129	67.1 Å²	67.1	69%	0.69	39%	0.386	S	S	*	.			trans	56.9	36.4	175.5	-48.4	-38	0	0	0	114.5	D342	N340-D342 PolarHBondContact O-N 3.07Å
341	I	87.6	Confident	86.5	Confident	16 Å²	16	64.7 Å²	64.7	8%	0.082	38%	0.379	C	S	.	.			trans	-70.9	-17.7	177.2	61	176.6	0	0	0	112.5	W106 R107 F108 E339 Q343	W106-I341 HydrophobicContact CE3-CD1 3.61Å; W106-I341 HydrophobicContact CE3-CG1 3.64Å; W106-I341 HydrophobicContact CZ3-CD1 3.95Å; W106-I341 HydrophobicContact CZ3-CG1 3.87Å; W106-I341 PolarHBondContact N-O 2.89Å; R107-I341 WeakPolarHBondContact O-CG2 3.49Å; F108-I341 HydrophobicContact CD1-CD1 3.58Å; F108-I341 HydrophobicContact CD2-CD1 3.86Å; F108-I341 HydrophobicContact CE1-CD1 3.25Å; F108-I341 HydrophobicContact CE2-CD1 3.55Å; F108-I341 HydrophobicContact CG-CD1 3.88Å; F108-I341 HydrophobicContact CZ-CD1 3.24Å; E339-I341 VanDerWaalsContact C-N 3.27Å; E339-I341 PolarHBondContact O-N 3.27Å; I341-Q343 PolarHBondContact O-N 3.48Å; I341-Q343 VanDerWaalsContact O-N 3.12Å
342	D	89.2	Confident	85.8	Confident	41 Å²	41	65.8 Å²	65.8	22%	0.219	39%	0.387	C	S	.	.			trans	-77.8	92	169.9	-172.9	-7.1	0	0	0	110.7	H105 W106 N340 L344 A345 A346	H105-D342 IonicContact CE1-OD1 3.96Å; H105-D342 PolarHBondContact CE1-OD1 3.44Å; H105-D342 IonicContact ND1-OD1 3.64Å; W106-D342 HydrophobicContact CD2-CB 4.44Å; W106-D342 HydrophobicContact CH2-CB 3.82Å; W106-D342 HydrophobicContact CZ2-CB 3.52Å; W106-D342 WeakPolarHBondContact CZ2-OD2 3.27Å; W106-D342 HydrophobicContact CZ3-CB 4.39Å; N340-D342 PolarHBondContact O-N 3.07Å; D342-L344 PolarHBondContact O-N 3.15Å; D342-L344 WeakPolarHBondContact OD1-CA 3.38Å; D342-L344 VanDerWaalsContact OD1-CB 3.31Å; D342-L344 WeakPolarHBondContact OD1-CB 3.47Å; D342-L344 PolarHBondContact OD1-N 2.77Å; D342-A345 HydrophobicContact CB-CB 3.93Å; D342-A345 PolarHBondContact O-N 3.19Å; D342-A345 VanDerWaalsContact O-N 3.15Å; D342-A345 PolarHBondContact OD1-N 2.71Å; D342-A345 WeakPolarHBondContact OD2-CB 3.39Å; D342-A346 PolarHBondContact O-N 2.79Å
343	Q	87.2	Confident	84.9	Confident	50 Å²	50	70.2 Å²	70.2	23%	0.234	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	176.1	-55.8	-62.1	-37.2	0	0	114	K94 L100 L104 H105 I341	K94-Q343 PolarHBondContact NZ-O 2.71Å; K94-Q343 VanDerWaalsContact NZ-O 3.17Å; L100-Q343 HydrophobicContact CD1-CB 3.56Å; L100-Q343 WeakPolarHBondContact CD1-O 3.48Å; L104-Q343 HydrophobicContact CB-CG 4.19Å; H105-Q343 HydrophobicContact CB-CB 4.15Å; H105-Q343 HydrophobicContact CB-CG 4.01Å; H105-Q343 PolarHBondContact ND1-N 3.07Å; I341-Q343 PolarHBondContact O-N 3.48Å; I341-Q343 VanDerWaalsContact O-N 3.12Å
344	L	84.9	Confident	83.9	Confident	31 Å²	31	74.2 Å²	74.2	16%	0.162	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-29.6	175.5	-62.2	-179.5	0	0	0	112.2	D85 K90 H91 L100 H105 D342	D85-L344 HydrophobicContact CB-CD1 3.73Å; K90-L344 HydrophobicContact CB-CD1 4.06Å; H91-L344 HydrophobicContact CB-CD1 4.4Å; H91-L344 HydrophobicContact CB-CD2 3.97Å; L100-L344 HydrophobicContact CD1-CD2 3.84Å; L100-L344 HydrophobicContact CD2-CD2 3.42Å; L100-L344 VanDerWaalsContact CD2-CD2 3.42Å; L100-L344 HydrophobicContact CG-CD2 4.3Å; H105-L344 WeakPolarHBondContact NE2-CD1 3.38Å; D342-L344 PolarHBondContact O-N 3.15Å; D342-L344 WeakPolarHBondContact OD1-CA 3.38Å; D342-L344 VanDerWaalsContact OD1-CB 3.31Å; D342-L344 WeakPolarHBondContact OD1-CB 3.47Å; D342-L344 PolarHBondContact OD1-N 2.77Å
345	A	76.3	Confident	82.9	Confident	79 Å²	79	74.1 Å²	74.1	65%	0.653	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.4	175.2	0	0	0	0	0	114.2	D342	D342-A345 HydrophobicContact CB-CB 3.93Å; D342-A345 PolarHBondContact O-N 3.19Å; D342-A345 VanDerWaalsContact O-N 3.15Å; D342-A345 PolarHBondContact OD1-N 2.71Å; D342-A345 WeakPolarHBondContact OD2-CB 3.39Å
346	A	54.3	Low	81.9	Confident	103 Å²	103	71.4 Å²	71.4	85%	0.851	41%	0.411	S	S	*	.			trans	-72.5	0	-176.9	0	0	0	0	0	115.2	K94 D342	K94-A346 VanDerWaalsContact CE-O 3.26Å; K94-A346 WeakPolarHBondContact CE-O 3.41Å; K94-A346 PolarHBondContact NZ-O 2.69Å; D342-A346 PolarHBondContact O-N 2.79Å

Retrieved 346 of 346 residues in 2440.8 ms (Link to these results)

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