A0A087Y3S4_POEFO Loading...

Protein LEG1 homolog

AlphaFold DB , UniProt , Accession A0A087Y3S4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	33.4	Very low	236 Å²	236	144.8 Å²	144.8	100%	1.163	85%	0.85	S	S	*	*				0	71.9	0	-61.3	170.3	81.9	0	0	106.1
2	L	31.1	Very low	33.1	Very low	170 Å²	170	139.8 Å²	139.8	89%	0.89	84%	0.838	S	S	*	*				31.4	121.1	77.9	-93.5	107.6	0	0	0	112.1
3	C	31.7	Very low	32.9	Very low	115 Å²	115	137.8 Å²	137.8	78%	0.777	84%	0.835	S	S	*	*			cis	-165.7	136.5	-2.5	-153.4	0	0	0	0	106.8
4	L	39.9	Very low	33	Very low	169 Å²	169	134.1 Å²	134.1	89%	0.885	83%	0.826	S	S	*	*			trans	-65.7	152.1	154.7	-88.2	110.7	0	0	0	109
5	A	37	Very low	32.9	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	82%	0.816	S	S	*	*			trans	102.4	100.2	165.6	0	0	0	0	0	118
6	A	35.1	Very low	33.1	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	82%	0.817	S	S	*	*			trans	172.6	100.2	134.6	0	0	0	0	0	107.4
7	L	32.9	Very low	33.2	Very low	182 Å²	182	133.1 Å²	133.1	95%	0.953	81%	0.811	S	S	*	*				34.7	122	81.9	-92	121.7	0	0	0	112.4
8	G	26.1	Very low	33.4	Very low	63 Å²	63	129.7 Å²	129.7	65%	0.649	79%	0.794	S	S	*	*			cis	171.2	-170.9	9.1	0	0	0	0	0	111
9	L	28.6	Very low	34.2	Very low	157 Å²	157	127.3 Å²	127.3	82%	0.822	78%	0.783	S	S	*	*			trans	89	106.9	166.8	-66.5	122.9	0	0	0	119.1
10	L	29.7	Very low	35.5	Very low	140 Å²	140	123.6 Å²	123.6	73%	0.733	76%	0.763	S	S	*	*				67.8	103.4	128	-64.6	167.9	0	0	0	117.6
11	L	33.4	Very low	36.8	Very low	167 Å²	167	118 Å²	118	87%	0.874	73%	0.729	S	S	*	*				-150.1	108.2	101.3	-100	150.2	0	0	0	107.5	S13	L11-S13 PolarHBondContact O-N 3.13Å
12	A	29.8	Very low	38.2	Very low	85 Å²	85	111.2 Å²	111.2	70%	0.702	70%	0.697	S	S	*	*			trans	-49.1	111.3	165.9	0	0	0	0	0	107.7	A14	A12-A14 PolarHBondContact O-N 2.9Å
13	S	30.7	Very low	40.5	Very low	114 Å²	114	103.2 Å²	103.2	80%	0.797	66%	0.655	S	S	*	*			trans	-56.5	101	159.2	-40.2	0	0	0	0	104.9	L11 V15	L11-S13 PolarHBondContact O-N 3.13Å; S13-V15 PolarHBondContact O-N 3.42Å
14	A	33.4	Very low	43.1	Very low	86 Å²	86	100.1 Å²	100.1	71%	0.711	63%	0.631	S	S	*	*			trans	-48.1	116.2	177.3	0	0	0	0	0	106.5	A12 T16	A12-A14 PolarHBondContact O-N 2.9Å; A14-T16 PolarHBondContact O-N 2.87Å
15	V	31.3	Very low	45.3	Very low	112 Å²	112	95.5 Å²	95.5	68%	0.679	60%	0.604	S	S	*	*			trans	-51.6	110.9	166.3	-174.4	0	0	0	0	104.5	S13 L17	S13-V15 PolarHBondContact O-N 3.42Å; V15-L17 HydrophobicContact CB-CD1 3.91Å; V15-L17 HydrophobicContact CB-CG 4.32Å; V15-L17 HydrophobicContact CG1-CB 4.35Å; V15-L17 HydrophobicContact CG1-CD1 3.61Å; V15-L17 HydrophobicContact CG1-CG 3.55Å; V15-L17 PolarHBondContact O-N 3.4Å
16	T	36.4	Very low	47.6	Very low	137 Å²	137	98.3 Å²	98.3	84%	0.84	61%	0.605	S	S	*	*			trans	-67.8	72.7	160.2	47.1	0	0	0	0	105.7	A14 S18	A14-T16 PolarHBondContact O-N 2.87Å; T16-S18 PolarHBondContact O-N 3.07Å; T16-S18 VanDerWaalsContact O-N 3.16Å
17	L	34.9	Very low	50.1	Low	136 Å²	136	95.9 Å²	95.9	71%	0.712	59%	0.589	S	S	*	*			trans	-64.3	108.9	157.8	-86	136.4	0	0	0	103.3	V15 S19	V15-L17 HydrophobicContact CB-CD1 3.91Å; V15-L17 HydrophobicContact CB-CG 4.32Å; V15-L17 HydrophobicContact CG1-CB 4.35Å; V15-L17 HydrophobicContact CG1-CD1 3.61Å; V15-L17 HydrophobicContact CG1-CG 3.55Å; V15-L17 PolarHBondContact O-N 3.4Å; L17-S19 PolarHBondContact O-N 3.23Å
18	S	37.7	Very low	52.9	Low	72 Å²	72	90.1 Å²	90.1	50%	0.503	56%	0.559	S	S	.	*			trans	-54.4	82.7	154	15	0	0	0	0	106.6	T16 S20	T16-S18 PolarHBondContact O-N 3.07Å; T16-S18 VanDerWaalsContact O-N 3.16Å; S18-S20 PolarHBondContact O-N 3.26Å
19	S	48.3	Very low	56.1	Low	84 Å²	84	87.1 Å²	87.1	59%	0.587	53%	0.528	S	S	*	.			trans	-75.1	109.8	174.1	-176.3	0	0	0	0	105.2	L17 S271	L17-S19 PolarHBondContact O-N 3.23Å; S19-S271 WeakPolarHBondContact O-CB 3.48Å
20	S	59.7	Low	59.1	Low	53 Å²	53	80 Å²	80	37%	0.371	49%	0.491	S	S	.	.			trans	-50.3	150.5	161	51.3	0	0	0	0	108.8	S18 L22	S18-S20 PolarHBondContact O-N 3.26Å; S20-L22 PolarHBondContact O-N 3.4Å
21	A	63.8	Low	62.1	Low	7 Å²	7	75 Å²	75	6%	0.058	47%	0.465	C	S	.	.			trans	-60.7	115.9	174.3	0	0	0	0	0	107	V23	A21-V23 VanDerWaalsContact O-CG2 3.25Å; A21-V23 WeakPolarHBondContact O-CG2 3.48Å; A21-V23 PolarHBondContact O-N 2.8Å
22	L	71.9	Confident	65.1	Low	92 Å²	92	68.1 Å²	68.1	48%	0.482	43%	0.427	S	S	.	.			trans	-66.5	104.4	-178	-173.6	143	0	0	0	108.5	S20 L24 E25 N30 S98	S20-L22 PolarHBondContact O-N 3.4Å; L22-L24 WeakPolarHBondContact CD2-O 3.27Å; L22-L24 VanDerWaalsContact CG-O 3.25Å; L22-L24 WeakPolarHBondContact CG-O 3.3Å; L22-E25 HydrophobicContact CD2-CB 4.25Å; L22-N30 HydrophobicContact CD2-CB 4.2Å; L22-S98 WeakPolarHBondContact O-CB 3.4Å; L22-S98 PolarHBondContact O-OG 3.02Å
23	V	77.9	Confident	68.2	Low	2 Å²	2	68.7 Å²	68.7	1%	0.012	43%	0.426	C	S	.	.			trans	-86.9	-27.2	177.6	-164.1	0	0	0	0	110.5	A21 P29 N30 L91 W95 L266	A21-V23 VanDerWaalsContact O-CG2 3.25Å; A21-V23 WeakPolarHBondContact O-CG2 3.48Å; A21-V23 PolarHBondContact O-N 2.8Å; V23-P29 WeakPolarHBondContact O-CA 3.34Å; V23-N30 PolarHBondContact O-N 3.2Å; V23-L91 HydrophobicContact CG1-CB 3.78Å; V23-L91 HydrophobicContact CG1-CD2 3.72Å; V23-L91 HydrophobicContact CG1-CG 4.35Å; V23-L91 WeakPolarHBondContact CG1-O 3.46Å; V23-W95 HydrophobicContact CG1-CB 4.38Å; V23-W95 HydrophobicContact CG2-CB 4.08Å; V23-L266 HydrophobicContact CG1-CB 4.38Å; V23-L266 HydrophobicContact CG1-CD1 4.34Å; V23-L266 HydrophobicContact CG2-CB 4.41Å
24	L	86.6	Confident	71.3	Confident	51 Å²	51	68.5 Å²	68.5	27%	0.267	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.8	-179.4	-64.3	178.6	0	0	0	113.4	L22 L28 L91 L259 V263	L22-L24 WeakPolarHBondContact CD2-O 3.27Å; L22-L24 VanDerWaalsContact CG-O 3.25Å; L22-L24 WeakPolarHBondContact CG-O 3.3Å; L24-L28 CarbonylContact C-O 3.6Å; L24-L28 WeakPolarHBondContact CA-O 3.46Å; L24-L91 HydrophobicContact CD2-CD2 3.39Å; L24-L91 HydrophobicContact CG-CD2 4.36Å; L24-L259 HydrophobicContact CD2-CD1 4.3Å; L24-V263 HydrophobicContact CD1-CG1 4.1Å; L24-V263 HydrophobicContact CD1-CG2 3.66Å; L24-V263 HydrophobicContact CD2-CG2 4Å; L24-V263 HydrophobicContact CG-CG2 3.95Å
25	E	85.9	Confident	74.4	Confident	72 Å²	72	64.8 Å²	64.8	34%	0.336	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.9	166.3	-174.6	-176	169.8	0	0	108.3	L22 G27 L28 L31	L22-E25 HydrophobicContact CD2-CB 4.25Å; E25-G27 PolarHBondContact O-N 2.85Å; E25-L28 PolarHBondContact N-O 3.04Å; E25-L28 PolarHBondContact O-N 3.49Å; E25-L31 PolarHBondContact OE2-N 2.93Å
26	N	85.5	Confident	77.5	Confident	160 Å²	160	60 Å²	60	86%	0.856	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.6	-176.2	-56.1	-49.6	0	0	0	114	L28	N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.13Å
27	G	87.5	Confident	80.3	Confident	42 Å²	42	54.5 Å²	54.5	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	5.4	177.5	0	0	0	0	0	115.1	E25 L259	E25-G27 PolarHBondContact O-N 2.85Å; G27-L259 WeakPolarHBondContact O-CD2 3.46Å
28	L	92.8	Very high	83.1	Confident	60 Å²	60	53.8 Å²	53.8	31%	0.314	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	166.2	176.2	-66.4	172.9	0	0	0	109.8	L24 E25 N26 W32 W87	L24-L28 CarbonylContact C-O 3.6Å; L24-L28 WeakPolarHBondContact CA-O 3.46Å; E25-L28 PolarHBondContact N-O 3.04Å; E25-L28 PolarHBondContact O-N 3.49Å; N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.13Å; L28-W32 HydrophobicContact CB-CB 3.92Å; L28-W32 HydrophobicContact CB-CG 4.05Å; L28-W32 HydrophobicContact CD1-CG 4.37Å; L28-W87 HydrophobicContact CD2-CH2 3.82Å; L28-W87 HydrophobicContact CD2-CZ3 4.19Å
29	P	93.3	Very high	85.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	146.6	174.3	-26.9	34.3	0	0	0	112.1	V23 L31 W32 W87 A90 L91	V23-P29 WeakPolarHBondContact O-CA 3.34Å; P29-L31 PolarHBondContact O-N 3.14Å; P29-W32 HydrophobicContact CB-CB 4.5Å; P29-W32 HydrophobicContact CB-CE3 4.05Å; P29-W32 HydrophobicContact CG-CD2 4.4Å; P29-W32 HydrophobicContact CG-CE3 3.91Å; P29-W32 HydrophobicContact CG-CZ3 4.26Å; P29-W32 WeakPolarHBondContact O-CB 3.43Å; P29-W32 PolarHBondContact O-N 3.21Å; P29-W87 HydrophobicContact CG-CE3 4.09Å; P29-W87 HydrophobicContact CG-CZ3 3.86Å; P29-A90 HydrophobicContact CG-CB 4.1Å; P29-L91 HydrophobicContact CB-CD2 4.3Å; P29-L91 HydrophobicContact CG-CD2 3.83Å; P29-L91 HydrophobicContact CG-CG 4.24Å
30	N	90.1	Very high	87.8	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.048	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	136.4	177.3	56.2	-27	0	0	0	112.1	L22 V23 W32 Y56 G94 S98	L22-N30 HydrophobicContact CD2-CB 4.2Å; V23-N30 PolarHBondContact O-N 3.2Å; N30-W32 PolarHBondContact O-N 3.29Å; N30-W32 VanDerWaalsContact O-N 3.11Å; N30-Y56 PolarHBondContact O-OH 2.83Å; N30-Y56 PolarHBondContact OD1-OH 3.4Å; N30-G94 PolarHBondContact ND2-O 2.93Å; N30-G94 WeakPolarHBondContact OD1-CA 3.29Å; N30-S98 PolarHBondContact ND2-OG 3.37Å
31	L	93.7	Very high	89.5	Confident	33 Å²	33	55.4 Å²	55.4	17%	0.173	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	17	-177.6	-45.7	172.7	0	0	0	115.2	E25 P29 S33 Q34 Y56 L57 M119	E25-L31 PolarHBondContact OE2-N 2.93Å; P29-L31 PolarHBondContact O-N 3.14Å; L31-S33 VanDerWaalsContact C-N 3.27Å; L31-S33 PolarHBondContact O-N 3.48Å; L31-Q34 WeakPolarHBondContact O-CB 2.99Å; L31-Q34 PolarHBondContact O-N 2.75Å; L31-Y56 HydrophobicContact CB-CE1 4.15Å; L31-Y56 HydrophobicContact CD1-CD1 4.09Å; L31-Y56 HydrophobicContact CD1-CE1 3.82Å; L31-Y56 HydrophobicContact CG-CE1 4.4Å; L31-L57 HydrophobicContact CB-CD2 3.9Å; L31-L57 HydrophobicContact CD1-CD2 4.27Å; L31-M119 HydrophobicContact CD1-CE 3.97Å; L31-M119 HydrophobicContact CD1-SD 3.9Å
32	W	95.6	Very high	90.9	Very high	23 Å²	23	55.5 Å²	55.5	9%	0.087	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.5	-39	-176.9	-175	-105.5	0	0	0	113.7	L28 P29 N30 Q34 T35 Q60 R64 I67 W87 A90	L28-W32 HydrophobicContact CB-CB 3.92Å; L28-W32 HydrophobicContact CB-CG 4.05Å; L28-W32 HydrophobicContact CD1-CG 4.37Å; P29-W32 HydrophobicContact CB-CB 4.5Å; P29-W32 HydrophobicContact CB-CE3 4.05Å; P29-W32 HydrophobicContact CG-CD2 4.4Å; P29-W32 HydrophobicContact CG-CE3 3.91Å; P29-W32 HydrophobicContact CG-CZ3 4.26Å; P29-W32 WeakPolarHBondContact O-CB 3.43Å; P29-W32 PolarHBondContact O-N 3.21Å; N30-W32 PolarHBondContact O-N 3.29Å; N30-W32 VanDerWaalsContact O-N 3.11Å; W32-Q34 PolarHBondContact O-N 3.34Å; W32-Q34 VanDerWaalsContact O-N 3.16Å; W32-T35 WeakPolarHBondContact O-CB 3.37Å; W32-T35 PolarHBondContact O-N 2.85Å; W32-T35 VanDerWaalsContact O-N 3.13Å; W32-T35 PolarHBondContact O-OG1 3.07Å; W32-Q60 HydrophobicContact CE3-CG 3.94Å; W32-Q60 HydrophobicContact CZ3-CG 4.03Å; W32-R64 HydrophobicContact CH2-CB 3.35Å; W32-R64 HydrophobicContact CH2-CG 3.83Å; W32-R64 HydrophobicContact CZ2-CB 3.56Å; W32-R64 HydrophobicContact CZ2-CG 3.44Å; W32-R64 VanDerWaalsContact CZ2-CG 3.44Å; W32-R64 HydrophobicContact CZ3-CB 3.92Å; W32-R64 PolarHBondContact O-NH1 2.77Å; W32-R64 VanDerWaalsContact O-NH1 3.14Å; W32-I67 HydrophobicContact CH2-CD1 4.12Å; W32-W87 HydrophobicContact CD2-CZ3 4.31Å; W32-W87 AromaticContact CE2-CH2 3.7Å; W32-W87 AromaticContact CE2-CZ3 3.85Å; W32-W87 HydrophobicContact CH2-CE3 4.49Å; W32-W87 HydrophobicContact CH2-CH2 4.03Å; W32-W87 AromaticContact CH2-CZ3 3.73Å; W32-W87 HydrophobicContact CH2-CZ3 3.73Å; W32-W87 AromaticContact CZ2-CH2 3.38Å; W32-W87 HydrophobicContact CZ2-CH2 3.38Å; W32-W87 HydrophobicContact CZ2-CZ2 4.35Å; W32-W87 AromaticContact CZ2-CZ3 3.53Å; W32-W87 HydrophobicContact CZ2-CZ3 3.53Å; W32-W87 HydrophobicContact CZ3-CZ3 4.26Å; W32-A90 HydrophobicContact CZ3-CB 4.13Å
33	S	94.9	Very high	92	Very high	97 Å²	97	53.8 Å²	53.8	68%	0.678	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.6	178.5	57.1	0	0	0	0	113.9	L31	L31-S33 VanDerWaalsContact C-N 3.27Å; L31-S33 PolarHBondContact O-N 3.48Å
34	Q	96.4	Very high	92.8	Very high	111 Å²	111	59 Å²	59	52%	0.519	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-92.6	-4.4	-179.9	-55.3	179	30.1	0	0	112.9	L31 W32 L57	L31-Q34 WeakPolarHBondContact O-CB 2.99Å; L31-Q34 PolarHBondContact O-N 2.75Å; W32-Q34 PolarHBondContact O-N 3.34Å; W32-Q34 VanDerWaalsContact O-N 3.16Å; Q34-L57 HydrophobicContact CB-CD1 4.31Å; Q34-L57 HydrophobicContact CB-CD2 3.97Å
35	T	97.4	Very high	93.1	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.049	34%	0.344	C	S	.	.	S	Bend	trans	-80.7	159.3	176.7	65	0	0	0	0	111.2	W32 G37 L57 Q60 S61 R64	W32-T35 WeakPolarHBondContact O-CB 3.37Å; W32-T35 PolarHBondContact O-N 2.85Å; W32-T35 VanDerWaalsContact O-N 3.13Å; W32-T35 PolarHBondContact O-OG1 3.07Å; T35-G37 PolarHBondContact O-N 2.95Å; T35-L57 HydrophobicContact CG2-CD2 4.45Å; T35-Q60 HydrophobicContact CG2-CB 3.71Å; T35-Q60 HydrophobicContact CG2-CG 3.59Å; T35-S61 WeakPolarHBondContact CB-OG 3.41Å; T35-R64 PolarHBondContact O-NH1 2.82Å; T35-R64 WeakPolarHBondContact OG1-CD 3.45Å; T35-R64 PolarHBondContact OG1-NH1 3.45Å
36	A	97.3	Very high	93.4	Very high	10 Å²	10	66.1 Å²	66.1	8%	0.083	37%	0.367	C	S	.	.			trans	-67.1	122.9	174.1	0	0	0	0	0	110.4	E41 L42 S61 R64	A36-E41 WeakPolarHBondContact CA-OE2 3.19Å; A36-E41 HydrophobicContact CB-CB 3.81Å; A36-L42 HydrophobicContact CB-CD2 3.78Å; A36-L42 HydrophobicContact CB-CG 4.21Å; A36-S61 PolarHBondContact N-OG 3.1Å; A36-R64 WeakPolarHBondContact O-CD 3.46Å
37	G	94.8	Very high	93.6	Very high	23 Å²	23	61.2 Å²	61.2	24%	0.237	35%	0.354	C	S	.	.	S	Bend	trans	-87.4	-17.4	173.5	0	0	0	0	0	113.2	T35 E41	T35-G37 PolarHBondContact O-N 2.95Å; G37-E41 PolarHBondContact N-OE2 3.02Å
38	Q	94.1	Very high	94	Very high	121 Å²	121	61.7 Å²	61.7	57%	0.565	35%	0.346	S	S	*	.	S	Bend	trans	-135.1	151.9	177.6	-59.6	-175.5	8.8	0	0	110.7	T40 E41 L65	Q38-T40 PolarHBondContact O-N 3.47Å; Q38-E41 HydrophobicContact CB-CG 4.29Å; Q38-E41 PolarHBondContact N-OE2 3.38Å; Q38-E41 WeakPolarHBondContact O-CB 3.45Å; Q38-E41 PolarHBondContact O-N 3.03Å; Q38-L65 VanDerWaalsContact C-CD2 3.47Å
39	V	93	Very high	94.2	Very high	21 Å²	21	59 Å²	59	13%	0.127	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-63.4	-31.3	-176.9	-177.3	0	0	0	0	112.2	E41 L42 L49 L65 L148 I152	V39-E41 PolarHBondContact O-N 3.3Å; V39-L42 WeakPolarHBondContact O-CB 3.39Å; V39-L42 PolarHBondContact O-N 3.39Å; V39-L42 VanDerWaalsContact O-N 3.14Å; V39-L49 HydrophobicContact CG1-CD1 3.12Å; V39-L49 HydrophobicContact CG1-CD2 4.24Å; V39-L49 HydrophobicContact CG1-CG 4.29Å; V39-L65 HydrophobicContact CG2-CD1 4.2Å; V39-L65 HydrophobicContact CG2-CD2 3.97Å; V39-L148 HydrophobicContact CG2-CB 4.04Å; V39-L148 WeakPolarHBondContact CG2-O 3.43Å; V39-I152 HydrophobicContact CB-CD1 4.28Å; V39-I152 HydrophobicContact CG1-CD1 3.73Å; V39-I152 HydrophobicContact CG2-CD1 4.44Å
40	T	90.8	Very high	94.4	Very high	111 Å²	111	59.9 Å²	59.9	68%	0.681	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66	-14.8	176.4	47.6	0	0	0	0	114	Q38	Q38-T40 PolarHBondContact O-N 3.47Å
41	E	95.6	Very high	94.7	Very high	110 Å²	110	59.4 Å²	59.4	51%	0.514	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-86.1	-9.5	176.3	-60.6	168.2	-169.6	0	0	112.2	A36 G37 Q38 V39	A36-E41 WeakPolarHBondContact CA-OE2 3.19Å; A36-E41 HydrophobicContact CB-CB 3.81Å; G37-E41 PolarHBondContact N-OE2 3.02Å; Q38-E41 HydrophobicContact CB-CG 4.29Å; Q38-E41 PolarHBondContact N-OE2 3.38Å; Q38-E41 WeakPolarHBondContact O-CB 3.45Å; Q38-E41 PolarHBondContact O-N 3.03Å; V39-E41 PolarHBondContact O-N 3.3Å
42	L	95	Very high	94.9	Very high	10 Å²	10	60 Å²	60	5%	0.052	34%	0.338	C	S	.	.	S	Bend	trans	-79.8	152.2	175.1	-66.5	179.4	0	0	0	111.7	A36 V39 M44 L49 P51 L65 F139	A36-L42 HydrophobicContact CB-CD2 3.78Å; A36-L42 HydrophobicContact CB-CG 4.21Å; V39-L42 WeakPolarHBondContact O-CB 3.39Å; V39-L42 PolarHBondContact O-N 3.39Å; V39-L42 VanDerWaalsContact O-N 3.14Å; L42-M44 PolarHBondContact O-N 2.88Å; L42-L49 HydrophobicContact CB-CD2 4.31Å; L42-P51 HydrophobicContact CD1-CB 4.26Å; L42-P51 HydrophobicContact CD1-CG 4.36Å; L42-P51 HydrophobicContact CD2-CB 4.24Å; L42-L65 HydrophobicContact CD1-CD1 3.62Å; L42-L65 HydrophobicContact CG-CD1 4.17Å; L42-F139 HydrophobicContact CD1-CZ 4.02Å
43	P	94.6	Very high	95.1	Very high	55 Å²	55	58.9 Å²	58.9	36%	0.357	33%	0.334	S	S	.	.			trans	-56.6	139.8	175.3	-23.4	32.8	0	0	0	112.3	T50	P43-T50 PolarHBondContact O-N 2.87Å
44	M	94	Very high	95.2	Very high	112 Å²	112	54.6 Å²	54.6	55%	0.552	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	180	-172.2	179.9	-72	0	0	110.7	L42 I48 L49	L42-M44 PolarHBondContact O-N 2.88Å; M44-I48 CarbonylContact C-O 3.49Å; M44-I48 WeakPolarHBondContact CA-O 3.16Å; M44-I48 VanDerWaalsContact CG-O 3.3Å; M44-I48 WeakPolarHBondContact CG-O 2.94Å; M44-L49 HydrophobicContact CB-CD2 4.37Å; M44-L49 HydrophobicContact CE-CD2 3.5Å; M44-L49 HydrophobicContact CE-CG 4.2Å
45	Q	93.4	Very high	95.3	Very high	122 Å²	122	50.8 Å²	50.8	57%	0.57	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.2	173.8	-176.5	175	5	0	0	109.1	G47 I48 T50	Q45-G47 PolarHBondContact O-N 2.94Å; Q45-G47 VanDerWaalsContact O-N 3.13Å; Q45-I48 PolarHBondContact N-O 3.11Å; Q45-I48 WeakPolarHBondContact O-CB 3.49Å; Q45-I48 PolarHBondContact O-N 2.91Å; Q45-T50 HydrophobicContact CB-CG2 4.04Å
46	D	91.6	Very high	95.3	Very high	150 Å²	150	50.4 Å²	50.4	80%	0.802	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.3	177.9	-55.9	-44.6	0	0	0	114.1	I48	D46-I48 VanDerWaalsContact C-N 3.27Å; D46-I48 PolarHBondContact O-N 2.84Å
47	G	89.9	Confident	95.4	Very high	57 Å²	57	51.5 Å²	51.5	59%	0.588	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	0.9	-178.5	0	0	0	0	0	115.1	Q45	Q45-G47 PolarHBondContact O-N 2.94Å; Q45-G47 VanDerWaalsContact O-N 3.13Å
48	I	95.3	Very high	95.5	Very high	53 Å²	53	51.8 Å²	51.8	27%	0.272	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133	177	-57.9	174.1	0	0	0	108.6	M44 Q45 D46 T50 Q153 K155	M44-I48 CarbonylContact C-O 3.49Å; M44-I48 WeakPolarHBondContact CA-O 3.16Å; M44-I48 VanDerWaalsContact CG-O 3.3Å; M44-I48 WeakPolarHBondContact CG-O 2.94Å; Q45-I48 PolarHBondContact N-O 3.11Å; Q45-I48 WeakPolarHBondContact O-CB 3.49Å; Q45-I48 PolarHBondContact O-N 2.91Å; D46-I48 VanDerWaalsContact C-N 3.27Å; D46-I48 PolarHBondContact O-N 2.84Å; I48-T50 HydrophobicContact CG2-CG2 4.41Å; I48-T50 PolarHBondContact O-N 3.41Å; I48-Q153 HydrophobicContact CG1-CB 4.33Å; I48-Q153 HydrophobicContact CG2-CB 4.26Å; I48-K155 HydrophobicContact CG2-CB 3.93Å
49	L	96.8	Very high	95.7	Very high	4 Å²	4	46 Å²	46	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.8	172.9	-65.6	170.6	0	0	0	109.9	V39 L42 M44 P51 I152 Q153 I154 K155	V39-L49 HydrophobicContact CG1-CD1 3.12Å; V39-L49 HydrophobicContact CG1-CD2 4.24Å; V39-L49 HydrophobicContact CG1-CG 4.29Å; L42-L49 HydrophobicContact CB-CD2 4.31Å; M44-L49 HydrophobicContact CB-CD2 4.37Å; M44-L49 HydrophobicContact CE-CD2 3.5Å; M44-L49 HydrophobicContact CE-CG 4.2Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å; L49-I152 HydrophobicContact CD1-CG2 3.33Å; L49-I152 HydrophobicContact CG-CG2 4.32Å; L49-Q153 PolarHBondContact N-O 3.44Å; L49-I154 HydrophobicContact CB-CG1 4.31Å; L49-I154 HydrophobicContact CD1-CD1 4.43Å; L49-I154 HydrophobicContact CD1-CG1 4.2Å; L49-I154 WeakPolarHBondContact O-CA 3.46Å; L49-K155 PolarHBondContact O-N 2.63Å
50	T	97.5	Very high	96	Very high	17 Å²	17	45 Å²	45	10%	0.104	25%	0.251	C	S	.	.			trans	-126.3	56.2	-177.5	58.5	0	0	0	0	112.1	P43 Q45 I48 K155 Q157	P43-T50 PolarHBondContact O-N 2.87Å; Q45-T50 HydrophobicContact CB-CG2 4.04Å; I48-T50 HydrophobicContact CG2-CG2 4.41Å; I48-T50 PolarHBondContact O-N 3.41Å; T50-K155 VanDerWaalsContact CA-O 3.27Å; T50-K155 WeakPolarHBondContact CA-O 3.05Å; T50-Q157 PolarHBondContact O-NE2 3.19Å
51	P	97.8	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.			trans	-66.5	151.4	178.5	31.4	-36	0	0	0	110.9	L42 L49 P53 F62 F139 L156 Q157	L42-P51 HydrophobicContact CD1-CB 4.26Å; L42-P51 HydrophobicContact CD1-CG 4.36Å; L42-P51 HydrophobicContact CD2-CB 4.24Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-P53 WeakPolarHBondContact O-CD 3.3Å; P51-F62 HydrophobicContact CB-CE1 3.68Å; P51-F62 HydrophobicContact CB-CZ 4.04Å; P51-F62 HydrophobicContact CG-CE1 3.64Å; P51-F62 HydrophobicContact CG-CZ 3.88Å; P51-F139 HydrophobicContact CG-CE1 4.36Å; P51-L156 HydrophobicContact CG-CD2 3.75Å; P51-Q157 PolarHBondContact O-N 3.24Å; P51-Q157 VanDerWaalsContact O-N 3.07Å
52	N	97.9	Very high	96.5	Very high	44 Å²	44	34.7 Å²	34.7	24%	0.235	20%	0.195	C	C	.	.			trans	-94.1	100.4	179.3	-177.3	3.6	0	0	0	110.7	W54 N55 N58 Q157	N52-W54 PolarHBondContact O-N 3.33Å; N52-W54 WeakPolarHBondContact OD1-CA 3.18Å; N52-W54 VanDerWaalsContact OD1-CB 3.3Å; N52-W54 WeakPolarHBondContact OD1-CB 3.32Å; N52-W54 PolarHBondContact OD1-N 2.95Å; N52-N55 HydrophobicContact CB-CB 4.29Å; N52-N55 PolarHBondContact O-N 3.37Å; N52-N58 PolarHBondContact N-OD1 3.33Å; N52-N58 WeakPolarHBondContact O-CB 3.28Å; N52-Q157 HydrophobicContact CB-CB 4.37Å; N52-Q157 HydrophobicContact CB-CG 4.37Å
53	P	98.1	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.4	177.3	30.8	-37.1	0	0	0	112.4	P51 N55 R59 F62 Y132 L156 Q157	P51-P53 WeakPolarHBondContact O-CD 3.3Å; P53-N55 VanDerWaalsContact C-N 3.26Å; P53-R59 PolarHBondContact O-NE 2.99Å; P53-R59 PolarHBondContact O-NH2 3.36Å; P53-F62 HydrophobicContact CB-CE2 3.92Å; P53-F62 HydrophobicContact CB-CZ 4.18Å; P53-Y132 HydrophobicContact CB-CD2 4.08Å; P53-Y132 HydrophobicContact CB-CE2 3.81Å; P53-Y132 HydrophobicContact CG-CD2 4.24Å; P53-Y132 HydrophobicContact CG-CE2 3.56Å; P53-L156 HydrophobicContact CG-CB 4.05Å; P53-Q157 VanDerWaalsContact CD-O 3.31Å; P53-Q157 WeakPolarHBondContact CD-O 3.35Å; P53-Q157 WeakPolarHBondContact CG-O 3Å
54	W	98.2	Very high	96.8	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.03	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.9	176.5	-50.3	90	0	0	0	112.6	N52 I121 P123 Y132 Q157 P159 F165	N52-W54 PolarHBondContact O-N 3.33Å; N52-W54 WeakPolarHBondContact OD1-CA 3.18Å; N52-W54 VanDerWaalsContact OD1-CB 3.3Å; N52-W54 WeakPolarHBondContact OD1-CB 3.32Å; N52-W54 PolarHBondContact OD1-N 2.95Å; W54-I121 PolarHBondContact O-N 3.03Å; W54-P123 HydrophobicContact CD2-CG 4.32Å; W54-P123 HydrophobicContact CE3-CB 4.37Å; W54-P123 HydrophobicContact CE3-CG 3.84Å; W54-P123 HydrophobicContact CH2-CB 4.22Å; W54-P123 HydrophobicContact CH2-CG 4.43Å; W54-P123 HydrophobicContact CZ3-CB 3.94Å; W54-P123 HydrophobicContact CZ3-CG 3.93Å; W54-Y132 HydrophobicContact CH2-CD2 4.02Å; W54-Y132 AromaticContact CZ2-CD2 3.72Å; W54-Y132 HydrophobicContact CZ2-CD2 3.72Å; W54-Y132 AromaticContact CZ2-CE2 3.86Å; W54-Y132 HydrophobicContact CZ2-CE2 3.86Å; W54-Q157 VanDerWaalsContact CD1-O 3.29Å; W54-Q157 PolarHBondContact NE1-O 3.4Å; W54-Q157 VanDerWaalsContact NE1-O 3.11Å; W54-P159 HydrophobicContact CB-CG 4.26Å; W54-P159 HydrophobicContact CD2-CG 3.92Å; W54-P159 HydrophobicContact CG-CG 3.61Å; W54-F165 HydrophobicContact CH2-CD1 4.01Å; W54-F165 AromaticContact CH2-CD2 3.91Å; W54-F165 HydrophobicContact CH2-CD2 3.91Å; W54-F165 AromaticContact CH2-CE1 3.75Å; W54-F165 HydrophobicContact CH2-CE1 3.75Å; W54-F165 AromaticContact CH2-CE2 3.63Å; W54-F165 HydrophobicContact CH2-CE2 3.63Å; W54-F165 HydrophobicContact CH2-CG 4.08Å; W54-F165 AromaticContact CH2-CZ 3.54Å; W54-F165 HydrophobicContact CH2-CZ 3.54Å; W54-F165 HydrophobicContact CZ2-CB 4.44Å; W54-F165 HydrophobicContact CZ2-CD1 4.11Å; W54-F165 AromaticContact CZ2-CD2 3.82Å; W54-F165 HydrophobicContact CZ2-CD2 3.82Å; W54-F165 HydrophobicContact CZ2-CE1 4.31Å; W54-F165 HydrophobicContact CZ2-CE2 4.03Å; W54-F165 AromaticContact CZ2-CG 3.84Å; W54-F165 HydrophobicContact CZ2-CG 3.84Å; W54-F165 HydrophobicContact CZ2-CZ 4.27Å
55	N	98.3	Very high	97.1	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-111.7	130.4	167.5	176.7	-82.8	0	0	0	109.3	N52 P53 L57 N58 R59 M119	N52-N55 HydrophobicContact CB-CB 4.29Å; N52-N55 PolarHBondContact O-N 3.37Å; P53-N55 VanDerWaalsContact C-N 3.26Å; N55-L57 PolarHBondContact O-N 2.99Å; N55-L57 PolarHBondContact OD1-N 3.27Å; N55-N58 HydrophobicContact CB-CB 4.22Å; N55-N58 PolarHBondContact O-N 3.44Å; N55-N58 PolarHBondContact OD1-N 3.47Å; N55-R59 PolarHBondContact O-N 3.13Å; N55-M119 CarbonylContact C-O 3.58Å; N55-M119 WeakPolarHBondContact CA-O 3.47Å; N55-M119 WeakPolarHBondContact ND2-CB 3.45Å
56	Y	98.3	Very high	97.3	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-56.3	-46	-176.5	170.4	-94.8	0	0	0	113.3	N30 L31 N58 R59 Q60 L93 K97 L102 M119	N30-Y56 PolarHBondContact O-OH 2.83Å; N30-Y56 PolarHBondContact OD1-OH 3.4Å; L31-Y56 HydrophobicContact CB-CE1 4.15Å; L31-Y56 HydrophobicContact CD1-CD1 4.09Å; L31-Y56 HydrophobicContact CD1-CE1 3.82Å; L31-Y56 HydrophobicContact CG-CE1 4.4Å; Y56-N58 PolarHBondContact O-N 2.86Å; Y56-R59 PolarHBondContact O-N 2.98Å; Y56-Q60 HydrophobicContact CE1-CB 4.47Å; Y56-Q60 VanDerWaalsContact O-CB 3.25Å; Y56-Q60 WeakPolarHBondContact O-CB 3.43Å; Y56-Q60 PolarHBondContact O-N 2.61Å; Y56-L93 HydrophobicContact CD2-CD1 4.16Å; Y56-L93 HydrophobicContact CD2-CG 4.07Å; Y56-L93 HydrophobicContact CE2-CD1 4.3Å; Y56-L93 HydrophobicContact CE2-CD2 4.46Å; Y56-L93 HydrophobicContact CE2-CG 3.82Å; Y56-K97 HydrophobicContact CD1-CD 3.48Å; Y56-K97 VanDerWaalsContact CD1-CD 3.48Å; Y56-K97 HydrophobicContact CD2-CB 3.84Å; Y56-K97 HydrophobicContact CD2-CD 3.23Å; Y56-K97 HydrophobicContact CD2-CG 4.15Å; Y56-K97 HydrophobicContact CE1-CD 3.78Å; Y56-K97 HydrophobicContact CE2-CB 3.65Å; Y56-K97 HydrophobicContact CE2-CD 3.51Å; Y56-K97 HydrophobicContact CE2-CG 4.17Å; Y56-K97 HydrophobicContact CG-CD 3.21Å; Y56-L102 HydrophobicContact CD2-CD1 3.97Å; Y56-M119 WeakPolarHBondContact CB-O 3.4Å; Y56-M119 HydrophobicContact CD1-SD 4Å; Y56-M119 PolarHBondContact N-O 2.86Å
57	L	98.1	Very high	97.6	Very high	32 Å²	32	17.3 Å²	17.3	17%	0.168	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-40.3	-178.1	-64.9	177.7	0	0	0	111.5	L31 Q34 T35 N55 S61 M119	L31-L57 HydrophobicContact CB-CD2 3.9Å; L31-L57 HydrophobicContact CD1-CD2 4.27Å; Q34-L57 HydrophobicContact CB-CD1 4.31Å; Q34-L57 HydrophobicContact CB-CD2 3.97Å; T35-L57 HydrophobicContact CG2-CD2 4.45Å; N55-L57 PolarHBondContact O-N 2.99Å; N55-L57 PolarHBondContact OD1-N 3.27Å; L57-S61 WeakPolarHBondContact O-CB 3.47Å; L57-S61 PolarHBondContact O-N 3.38Å; L57-S61 PolarHBondContact O-OG 2.92Å; L57-M119 HydrophobicContact CG-SD 4.28Å
58	N	98.1	Very high	98	Very high	30 Å²	30	17.2 Å²	17.2	16%	0.16	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-46.6	175.6	-84.1	-136.3	0	0	0	110.9	N52 N55 Y56 S61 F62	N52-N58 PolarHBondContact N-OD1 3.33Å; N52-N58 WeakPolarHBondContact O-CB 3.28Å; N55-N58 HydrophobicContact CB-CB 4.22Å; N55-N58 PolarHBondContact O-N 3.44Å; N55-N58 PolarHBondContact OD1-N 3.47Å; Y56-N58 PolarHBondContact O-N 2.86Å; N58-S61 VanDerWaalsContact O-CB 3.28Å; N58-S61 WeakPolarHBondContact O-CB 3.45Å; N58-S61 PolarHBondContact O-N 2.85Å; N58-F62 WeakPolarHBondContact O-CD1 3.48Å; N58-F62 VanDerWaalsContact O-CE1 3.3Å; N58-F62 WeakPolarHBondContact O-CE1 3.43Å; N58-F62 PolarHBondContact O-N 3.49Å
59	R	98.4	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-41	178.2	-165.8	-177.6	-67.1	-159.7	-3.4	112.3	P53 N55 Y56 S61 F62 L93 I121 G128 N131 S135	P53-R59 PolarHBondContact O-NE 2.99Å; P53-R59 PolarHBondContact O-NH2 3.36Å; N55-R59 PolarHBondContact O-N 3.13Å; Y56-R59 PolarHBondContact O-N 2.98Å; R59-S61 VanDerWaalsContact C-N 3.26Å; R59-S61 PolarHBondContact O-N 2.95Å; R59-F62 HydrophobicContact CG-CD2 4.34Å; R59-F62 VanDerWaalsContact O-CB 3.29Å; R59-F62 WeakPolarHBondContact O-CB 3.23Å; R59-F62 PolarHBondContact O-N 3.11Å; R59-F62 VanDerWaalsContact O-N 3.15Å; R59-L93 HydrophobicContact CB-CD2 3.98Å; R59-L93 HydrophobicContact CG-CD2 3.75Å; R59-I121 HydrophobicContact CB-CD1 4.24Å; R59-G128 PolarHBondContact NH1-O 3.07Å; R59-N131 WeakPolarHBondContact CD-OD1 3.5Å; R59-N131 VanDerWaalsContact NH1-C 3.33Å; R59-N131 PolarHBondContact NH1-OD1 2.85Å; R59-N131 VanDerWaalsContact NH1-OD1 3.1Å; R59-S135 WeakPolarHBondContact CD-OG 3.16Å; R59-S135 WeakPolarHBondContact CG-OG 3.19Å
60	Q	98.1	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.4	-34.5	175.1	-167.5	70.7	20.2	0	0	111.7	W32 T35 Y56 F62 Y63 R64 A90 L93	W32-Q60 HydrophobicContact CE3-CG 3.94Å; W32-Q60 HydrophobicContact CZ3-CG 4.03Å; T35-Q60 HydrophobicContact CG2-CB 3.71Å; T35-Q60 HydrophobicContact CG2-CG 3.59Å; Y56-Q60 HydrophobicContact CE1-CB 4.47Å; Y56-Q60 VanDerWaalsContact O-CB 3.25Å; Y56-Q60 WeakPolarHBondContact O-CB 3.43Å; Y56-Q60 PolarHBondContact O-N 2.61Å; Q60-F62 PolarHBondContact O-N 3.45Å; Q60-Y63 PolarHBondContact O-N 3.16Å; Q60-R64 PolarHBondContact O-N 2.67Å; Q60-A90 PolarHBondContact NE2-O 3Å; Q60-A90 PolarHBondContact OE1-O 2.85Å; Q60-L93 HydrophobicContact CB-CD2 4.37Å; Q60-L93 VanDerWaalsContact OE1-CD2 3.26Å
61	S	98.6	Very high	98.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-29.4	175.6	-56.4	0	0	0	0	112.6	T35 A36 L57 N58 R59 Y63 R64 L65	T35-S61 WeakPolarHBondContact CB-OG 3.41Å; A36-S61 PolarHBondContact N-OG 3.1Å; L57-S61 WeakPolarHBondContact O-CB 3.47Å; L57-S61 PolarHBondContact O-N 3.38Å; L57-S61 PolarHBondContact O-OG 2.92Å; N58-S61 VanDerWaalsContact O-CB 3.28Å; N58-S61 WeakPolarHBondContact O-CB 3.45Å; N58-S61 PolarHBondContact O-N 2.85Å; R59-S61 VanDerWaalsContact C-N 3.26Å; R59-S61 PolarHBondContact O-N 2.95Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 3.21Å; S61-R64 PolarHBondContact O-N 2.98Å; S61-L65 WeakPolarHBondContact O-CB 3.34Å; S61-L65 VanDerWaalsContact O-CG 3.23Å; S61-L65 WeakPolarHBondContact O-CG 3.39Å; S61-L65 PolarHBondContact O-N 3.31Å
62	F	98.7	Very high	98.1	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-46.1	176.7	-60.9	-8.2	0	0	0	111	P51 P53 N58 R59 Q60 L65 V66 F139 L156	P51-F62 HydrophobicContact CB-CE1 3.68Å; P51-F62 HydrophobicContact CB-CZ 4.04Å; P51-F62 HydrophobicContact CG-CE1 3.64Å; P51-F62 HydrophobicContact CG-CZ 3.88Å; P53-F62 HydrophobicContact CB-CE2 3.92Å; P53-F62 HydrophobicContact CB-CZ 4.18Å; N58-F62 WeakPolarHBondContact O-CD1 3.48Å; N58-F62 VanDerWaalsContact O-CE1 3.3Å; N58-F62 WeakPolarHBondContact O-CE1 3.43Å; N58-F62 PolarHBondContact O-N 3.49Å; R59-F62 HydrophobicContact CG-CD2 4.34Å; R59-F62 VanDerWaalsContact O-CB 3.29Å; R59-F62 WeakPolarHBondContact O-CB 3.23Å; R59-F62 PolarHBondContact O-N 3.11Å; R59-F62 VanDerWaalsContact O-N 3.15Å; Q60-F62 PolarHBondContact O-N 3.45Å; F62-L65 PolarHBondContact O-N 2.96Å; F62-V66 WeakPolarHBondContact O-CB 3.31Å; F62-V66 VanDerWaalsContact O-CG2 3.25Å; F62-V66 WeakPolarHBondContact O-CG2 3.13Å; F62-V66 PolarHBondContact O-N 3.03Å; F62-F139 HydrophobicContact CB-CB 3.97Å; F62-F139 HydrophobicContact CB-CD1 4.46Å; F62-F139 HydrophobicContact CB-CD2 3.6Å; F62-F139 HydrophobicContact CB-CE2 4.17Å; F62-F139 HydrophobicContact CB-CG 3.77Å; F62-F139 AromaticContact CD1-CD1 3.91Å; F62-F139 HydrophobicContact CD1-CD1 3.91Å; F62-F139 AromaticContact CD1-CD2 3.97Å; F62-F139 HydrophobicContact CD1-CD2 3.97Å; F62-F139 AromaticContact CD1-CE1 3.73Å; F62-F139 HydrophobicContact CD1-CE1 3.73Å; F62-F139 AromaticContact CD1-CE2 3.81Å; F62-F139 HydrophobicContact CD1-CE2 3.81Å; F62-F139 HydrophobicContact CD1-CG 4.02Å; F62-F139 AromaticContact CD1-CZ 3.69Å; F62-F139 HydrophobicContact CD1-CZ 3.69Å; F62-F139 HydrophobicContact CD2-CB 4.21Å; F62-F139 HydrophobicContact CD2-CD1 4.08Å; F62-F139 HydrophobicContact CD2-CG 4.08Å; F62-F139 HydrophobicContact CE1-CD1 4.15Å; F62-F139 AromaticContact CE1-CE1 3.78Å; F62-F139 HydrophobicContact CE1-CE1 3.78Å; F62-F139 HydrophobicContact CE1-CZ 4.04Å; F62-F139 HydrophobicContact CE2-CD1 4.29Å; F62-F139 HydrophobicContact CG-CB 4.15Å; F62-F139 AromaticContact CG-CD1 3.9Å; F62-F139 HydrophobicContact CG-CD1 3.9Å; F62-F139 AromaticContact CG-CD2 3.85Å; F62-F139 HydrophobicContact CG-CD2 3.85Å; F62-F139 HydrophobicContact CG-CE1 4.21Å; F62-F139 HydrophobicContact CG-CE2 4.18Å; F62-F139 AromaticContact CG-CG 3.7Å; F62-F139 HydrophobicContact CG-CG 3.7Å; F62-F139 HydrophobicContact CG-CZ 4.36Å; F62-F139 HydrophobicContact CZ-CD1 4.35Å; F62-F139 HydrophobicContact CZ-CE1 4.28Å; F62-L156 HydrophobicContact CE2-CD2 4.12Å; F62-L156 HydrophobicContact CZ-CD2 3.74Å
63	Y	98.5	Very high	98.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.1	-59.8	-52.6	0	0	0	111.9	Q60 S61 L65 V66 I67 F86 L89 A90 L93 N131 T134 S135	Q60-Y63 PolarHBondContact O-N 3.16Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 3.21Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.04Å; Y63-V66 PolarHBondContact O-N 3.22Å; Y63-I67 WeakPolarHBondContact O-CB 3.43Å; Y63-I67 WeakPolarHBondContact O-CD1 3.31Å; Y63-I67 WeakPolarHBondContact O-CG1 3.03Å; Y63-I67 PolarHBondContact O-N 3.39Å; Y63-F86 HydrophobicContact CD1-CD1 4.14Å; Y63-L89 HydrophobicContact CD1-CB 3.94Å; Y63-L89 HydrophobicContact CD1-CD1 4.23Å; Y63-L89 HydrophobicContact CE1-CB 3.45Å; Y63-L89 VanDerWaalsContact CE1-CB 3.45Å; Y63-L89 HydrophobicContact CE1-CD1 3.62Å; Y63-L89 HydrophobicContact CE1-CG 4.21Å; Y63-L89 HydrophobicContact CE2-CB 4.18Å; Y63-A90 HydrophobicContact CD2-CB 4.13Å; Y63-A90 HydrophobicContact CG-CB 4.19Å; Y63-L93 HydrophobicContact CD2-CD2 4.29Å; Y63-L93 HydrophobicContact CE2-CB 4.06Å; Y63-L93 HydrophobicContact CE2-CD2 3.8Å; Y63-N131 PolarHBondContact OH-ND2 3.2Å; Y63-T134 WeakPolarHBondContact CE1-O 3.31Å; Y63-T134 PolarHBondContact OH-O 3.22Å; Y63-T134 VanDerWaalsContact OH-O 3.11Å; Y63-S135 WeakPolarHBondContact OH-CA 3.34Å; Y63-S135 WeakPolarHBondContact OH-CB 3.48Å
64	R	98.3	Very high	98	Very high	66 Å²	66	23.1 Å²	23.1	25%	0.249	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-44.9	177.6	-174.4	164.8	177.9	-167.2	-5.3	112.5	W32 T35 A36 Q60 S61 A68	W32-R64 HydrophobicContact CH2-CB 3.35Å; W32-R64 HydrophobicContact CH2-CG 3.83Å; W32-R64 HydrophobicContact CZ2-CB 3.56Å; W32-R64 HydrophobicContact CZ2-CG 3.44Å; W32-R64 VanDerWaalsContact CZ2-CG 3.44Å; W32-R64 HydrophobicContact CZ3-CB 3.92Å; W32-R64 PolarHBondContact O-NH1 2.77Å; W32-R64 VanDerWaalsContact O-NH1 3.14Å; T35-R64 PolarHBondContact O-NH1 2.82Å; T35-R64 WeakPolarHBondContact OG1-CD 3.45Å; T35-R64 PolarHBondContact OG1-NH1 3.45Å; A36-R64 WeakPolarHBondContact O-CD 3.46Å; Q60-R64 PolarHBondContact O-N 2.67Å; S61-R64 PolarHBondContact O-N 2.98Å; R64-A68 WeakPolarHBondContact O-CB 3.06Å; R64-A68 PolarHBondContact O-N 3.14Å
65	L	98.6	Very high	97.8	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-70.9	-40.5	-179.2	-65.6	169.2	0	0	0	111.8	Q38 V39 L42 S61 F62 Y63 A68 G69 F139 L148	Q38-L65 VanDerWaalsContact C-CD2 3.47Å; V39-L65 HydrophobicContact CG2-CD1 4.2Å; V39-L65 HydrophobicContact CG2-CD2 3.97Å; L42-L65 HydrophobicContact CD1-CD1 3.62Å; L42-L65 HydrophobicContact CG-CD1 4.17Å; S61-L65 WeakPolarHBondContact O-CB 3.34Å; S61-L65 VanDerWaalsContact O-CG 3.23Å; S61-L65 WeakPolarHBondContact O-CG 3.39Å; S61-L65 PolarHBondContact O-N 3.31Å; F62-L65 PolarHBondContact O-N 2.96Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.04Å; L65-A68 PolarHBondContact O-N 2.82Å; L65-G69 PolarHBondContact O-N 3.19Å; L65-F139 HydrophobicContact CB-CE2 4.44Å; L65-F139 HydrophobicContact CD1-CE2 4.15Å; L65-L148 HydrophobicContact CB-CD2 4.02Å
66	V	98.6	Very high	97.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.4	170.7	0	0	0	0	111.1	F62 Y63 G69 T70 F86 F139 A142 F187	F62-V66 WeakPolarHBondContact O-CB 3.31Å; F62-V66 VanDerWaalsContact O-CG2 3.25Å; F62-V66 WeakPolarHBondContact O-CG2 3.13Å; F62-V66 PolarHBondContact O-N 3.03Å; Y63-V66 PolarHBondContact O-N 3.22Å; V66-G69 PolarHBondContact O-N 3.29Å; V66-T70 HydrophobicContact CG1-CG2 4.36Å; V66-T70 WeakPolarHBondContact O-CB 3.43Å; V66-T70 WeakPolarHBondContact O-CG2 3.38Å; V66-T70 PolarHBondContact O-N 3.4Å; V66-T70 PolarHBondContact O-OG1 3.07Å; V66-F86 HydrophobicContact CG1-CD1 3.92Å; V66-F86 HydrophobicContact CG1-CD2 3.72Å; V66-F86 HydrophobicContact CG1-CE1 3.86Å; V66-F86 HydrophobicContact CG1-CE2 3.63Å; V66-F86 HydrophobicContact CG1-CG 3.86Å; V66-F86 HydrophobicContact CG1-CZ 3.71Å; V66-F139 HydrophobicContact CG2-CD2 4.13Å; V66-A142 HydrophobicContact CG2-CB 3.84Å; V66-F187 HydrophobicContact CG1-CE1 4.06Å; V66-F187 HydrophobicContact CG1-CZ 4.13Å
67	I	98.5	Very high	97.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-54.2	175.6	-71.9	163.8	0	0	0	109.6	W32 Y63 G69 T70 D71 N84 F86 W87	W32-I67 HydrophobicContact CH2-CD1 4.12Å; Y63-I67 WeakPolarHBondContact O-CB 3.43Å; Y63-I67 WeakPolarHBondContact O-CD1 3.31Å; Y63-I67 WeakPolarHBondContact O-CG1 3.03Å; Y63-I67 PolarHBondContact O-N 3.39Å; I67-G69 VanDerWaalsContact C-N 3.3Å; I67-G69 PolarHBondContact O-N 2.93Å; I67-T70 PolarHBondContact O-N 2.74Å; I67-T70 VanDerWaalsContact O-N 3.07Å; I67-T70 PolarHBondContact O-OG1 3.16Å; I67-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I67-D71 WeakPolarHBondContact O-CB 3.38Å; I67-D71 PolarHBondContact O-N 3.48Å; I67-N84 HydrophobicContact CG1-CB 4.14Å; I67-N84 HydrophobicContact CG2-CB 4Å; I67-N84 PolarHBondContact O-ND2 2.68Å; I67-F86 HydrophobicContact CD1-CB 4.05Å; I67-F86 HydrophobicContact CG1-CB 3.55Å; I67-W87 HydrophobicContact CD1-CD2 3.79Å; I67-W87 HydrophobicContact CD1-CE3 4.03Å; I67-W87 HydrophobicContact CD1-CG 4.14Å; I67-W87 HydrophobicContact CD1-CZ2 4.36Å; I67-W87 HydrophobicContact CD1-CZ3 4.41Å; I67-W87 HydrophobicContact CG2-CZ2 4.29Å
68	A	97.8	Very high	97.1	Very high	56 Å²	56	26.9 Å²	26.9	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-58.6	-39.4	-179.6	0	0	0	0	0	113.1	R64 L65	R64-A68 WeakPolarHBondContact O-CB 3.06Å; R64-A68 PolarHBondContact O-N 3.14Å; L65-A68 PolarHBondContact O-N 2.82Å
69	G	97.6	Very high	96.6	Very high	18 Å²	18	32.4 Å²	32.4	19%	0.186	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-30	177.8	0	0	0	0	0	113.6	L65 V66 I67 F147	L65-G69 PolarHBondContact O-N 3.19Å; V66-G69 PolarHBondContact O-N 3.29Å; I67-G69 VanDerWaalsContact C-N 3.3Å; I67-G69 PolarHBondContact O-N 2.93Å; G69-F147 WeakPolarHBondContact CA-O 3.33Å; G69-F147 WeakPolarHBondContact O-CD1 3.24Å
70	T	98.1	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-100.4	-24.3	-172.9	54.4	0	0	0	0	114.5	V66 I67 P72 Y73 N84 F147 F187 L190	V66-T70 HydrophobicContact CG1-CG2 4.36Å; V66-T70 WeakPolarHBondContact O-CB 3.43Å; V66-T70 WeakPolarHBondContact O-CG2 3.38Å; V66-T70 PolarHBondContact O-N 3.4Å; V66-T70 PolarHBondContact O-OG1 3.07Å; I67-T70 PolarHBondContact O-N 2.74Å; I67-T70 VanDerWaalsContact O-N 3.07Å; I67-T70 PolarHBondContact O-OG1 3.16Å; T70-P72 VanDerWaalsContact C-N 3.32Å; T70-Y73 PolarHBondContact O-N 3.45Å; T70-N84 PolarHBondContact OG1-ND2 3.29Å; T70-F147 HydrophobicContact CG2-CD1 3.66Å; T70-F147 HydrophobicContact CG2-CE1 4.01Å; T70-F147 HydrophobicContact CG2-CG 4.31Å; T70-F187 HydrophobicContact CG2-CD1 3.98Å; T70-F187 HydrophobicContact CG2-CE1 3.74Å; T70-L190 HydrophobicContact CG2-CD1 3.5Å; T70-L190 VanDerWaalsContact CG2-CD1 3.5Å
71	D	97.3	Very high	95.7	Very high	55 Å²	55	44 Å²	44	29%	0.294	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-49.4	-41.7	179.4	-80.7	-10.3	0	0	0	114.5	I67 Y73 L74 N84	I67-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I67-D71 WeakPolarHBondContact O-CB 3.38Å; I67-D71 PolarHBondContact O-N 3.48Å; D71-Y73 PolarHBondContact O-N 3.09Å; D71-L74 PolarHBondContact O-N 3.34Å; D71-N84 VanDerWaalsContact OD1-CB 3.31Å; D71-N84 WeakPolarHBondContact OD1-CB 3.12Å; D71-N84 PolarHBondContact OD1-ND2 2.83Å
72	P	96.6	Very high	95.5	Very high	83 Å²	83	45.5 Å²	45.5	54%	0.539	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.3	-22.5	178.1	-26.7	36.6	0	0	0	114.5	T70	T70-P72 VanDerWaalsContact C-N 3.32Å
73	Y	97.4	Very high	95.4	Very high	79 Å²	79	46.5 Å²	46.5	31%	0.31	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-100.5	1.3	-178.3	-52.3	-79.7	0	0	0	113.3	T70 D71 Y76 F147 L190 K191	T70-Y73 PolarHBondContact O-N 3.45Å; D71-Y73 PolarHBondContact O-N 3.09Å; Y73-Y76 WeakPolarHBondContact O-CE1 3.38Å; Y73-Y76 PolarHBondContact O-OH 3.11Å; Y73-F147 HydrophobicContact CD2-CD1 4.27Å; Y73-F147 AromaticContact CD2-CE1 3.55Å; Y73-F147 HydrophobicContact CD2-CE1 3.55Å; Y73-F147 HydrophobicContact CE2-CD1 4.01Å; Y73-F147 AromaticContact CE2-CE1 3.5Å; Y73-F147 HydrophobicContact CE2-CE1 3.5Å; Y73-F147 VanDerWaalsContact CE2-CE1 3.5Å; Y73-F147 HydrophobicContact CE2-CZ 4.41Å; Y73-F147 HydrophobicContact CG-CE1 4.43Å; Y73-L190 HydrophobicContact CG-CB 4.39Å; Y73-K191 HydrophobicContact CD1-CB 3.9Å; Y73-K191 HydrophobicContact CD1-CG 4.29Å; Y73-K191 HydrophobicContact CE1-CB 3.98Å; Y73-K191 HydrophobicContact CE1-CD 4.33Å; Y73-K191 HydrophobicContact CE1-CG 4.12Å
74	L	96.9	Very high	95.4	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	27%	0.268	C	S	.	.			trans	-118.5	21.2	-171.8	-69.7	174.9	0	0	0	113.1	D71 Y76 M77 N84 L190 I207	D71-L74 PolarHBondContact O-N 3.34Å; L74-Y76 PolarHBondContact O-N 3.36Å; L74-Y76 VanDerWaalsContact O-N 3.09Å; L74-M77 HydrophobicContact CB-CG 3.97Å; L74-M77 HydrophobicContact CD2-CE 3.64Å; L74-M77 HydrophobicContact CD2-CG 3.96Å; L74-M77 VanDerWaalsContact O-CB 3.25Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 WeakPolarHBondContact O-CG 3.45Å; L74-M77 PolarHBondContact O-N 2.88Å; L74-N84 WeakPolarHBondContact CD1-ND2 3.43Å; L74-L190 HydrophobicContact CD2-CD2 3.64Å; L74-L190 HydrophobicContact CG-CD2 4.23Å; L74-I207 HydrophobicContact CD2-CG2 4.01Å
75	T	94	Very high	95.4	Very high	101 Å²	101	43.3 Å²	43.3	62%	0.62	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.1	-176.7	55.1	0	0	0	0	114.8	M77	T75-M77 VanDerWaalsContact C-N 3.34Å
76	Y	94.1	Very high	95.3	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.055	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.7	174.5	52.1	-93.8	0	0	0	113.6	Y73 L74 G78 T193 D200 K203 K204 I207	Y73-Y76 WeakPolarHBondContact O-CE1 3.38Å; Y73-Y76 PolarHBondContact O-OH 3.11Å; L74-Y76 PolarHBondContact O-N 3.36Å; L74-Y76 VanDerWaalsContact O-N 3.09Å; Y76-G78 VanDerWaalsContact C-N 3.33Å; Y76-T193 HydrophobicContact CE1-CG2 4.49Å; Y76-T193 HydrophobicContact CE2-CG2 4.43Å; Y76-D200 WeakPolarHBondContact CB-OD1 3.38Å; Y76-K203 HydrophobicContact CD1-CB 4.38Å; Y76-K203 HydrophobicContact CD1-CD 3.88Å; Y76-K203 HydrophobicContact CD2-CB 3.49Å; Y76-K203 VanDerWaalsContact CD2-CB 3.49Å; Y76-K203 HydrophobicContact CD2-CD 4.39Å; Y76-K203 HydrophobicContact CE1-CD 4.46Å; Y76-K203 HydrophobicContact CE2-CB 3.78Å; Y76-K203 HydrophobicContact CG-CB 3.84Å; Y76-K203 HydrophobicContact CG-CD 3.86Å; Y76-K204 HydrophobicContact CD2-CB 4.39Å; Y76-I207 HydrophobicContact CE2-CG1 4.32Å; Y76-I207 WeakPolarHBondContact OH-CG1 3.43Å
77	M	94.8	Very high	95.3	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-73.3	-27.1	-179.6	-71.2	-63.3	-173.1	0	0	112.9	L74 T75 E83 K204 I207 L208 H256	L74-M77 HydrophobicContact CB-CG 3.97Å; L74-M77 HydrophobicContact CD2-CE 3.64Å; L74-M77 HydrophobicContact CD2-CG 3.96Å; L74-M77 VanDerWaalsContact O-CB 3.25Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 WeakPolarHBondContact O-CG 3.45Å; L74-M77 PolarHBondContact O-N 2.88Å; T75-M77 VanDerWaalsContact C-N 3.34Å; M77-E83 HydrophobicContact CB-CB 3.76Å; M77-K204 PolarHBondContact O-NZ 3.05Å; M77-K204 HydrophobicContact SD-CB 3.97Å; M77-K204 HydrophobicContact SD-CD 4.2Å; M77-K204 HydrophobicContact SD-CG 3.64Å; M77-I207 HydrophobicContact CE-CB 3.7Å; M77-I207 HydrophobicContact CE-CG2 3.4Å; M77-L208 HydrophobicContact CE-CD2 4.34Å; M77-L208 HydrophobicContact CE-CG 4.19Å; M77-L208 HydrophobicContact SD-CG 4.47Å; M77-H256 PolarHBondContact O-CE1 2.76Å
78	G	91.4	Very high	95.2	Very high	32 Å²	32	43.6 Å²	43.6	33%	0.33	26%	0.259	S	S	.	.			trans	166.2	-170.2	179.3	0	0	0	0	0	111.1	Y76	Y76-G78 VanDerWaalsContact C-N 3.33Å
79	T	86.8	Confident	95.2	Very high	146 Å²	146	41.4 Å²	41.4	90%	0.896	24%	0.239	S	C	*	.	S	Bend	trans	-103.6	-6.2	-173.2	55.2	0	0	0	0	113.8
80	T	88	Confident	95.2	Very high	67 Å²	67	40.5 Å²	40.5	41%	0.411	23%	0.23	S	C	.	.	S	Bend	trans	-94.4	167.6	-178.6	74.2	0	0	0	0	112	T82 E83	T80-T82 PolarHBondContact O-N 2.62Å; T80-T82 PolarHBondContact OG1-N 2.88Å; T80-T82 PolarHBondContact OG1-OG1 3.06Å; T80-T82 VanDerWaalsContact OG1-OG1 3.08Å; T80-E83 WeakPolarHBondContact CB-OE1 3.33Å; T80-E83 PolarHBondContact N-OE1 2.9Å; T80-E83 WeakPolarHBondContact O-CG 3.5Å; T80-E83 VanDerWaalsContact OG1-CD 3.22Å; T80-E83 WeakPolarHBondContact OG1-CG 3.3Å; T80-E83 PolarHBondContact OG1-OE1 3.11Å
81	Q	88.8	Confident	95.2	Very high	176 Å²	176	40.5 Å²	40.5	82%	0.822	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	1.6	174.8	-65.6	179.2	-0.8	0	0	112.9
82	T	94.8	Very high	95.1	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.202	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	20.4	-169.7	49.7	0	0	0	0	112.8	T80 W87 N258 L259	T80-T82 PolarHBondContact O-N 2.62Å; T80-T82 PolarHBondContact OG1-N 2.88Å; T80-T82 PolarHBondContact OG1-OG1 3.06Å; T80-T82 VanDerWaalsContact OG1-OG1 3.08Å; T82-W87 VanDerWaalsContact C-CD1 3.49Å; T82-W87 HydrophobicContact CG2-CZ2 4.4Å; T82-N258 VanDerWaalsContact O-CB 3.31Å; T82-N258 WeakPolarHBondContact O-CB 3.43Å; T82-L259 HydrophobicContact CG2-CB 4.12Å; T82-L259 HydrophobicContact CG2-CD2 3.69Å; T82-L259 PolarHBondContact O-N 2.6Å
83	E	96.9	Very high	95.2	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	20%	0.197	C	C	.	.			trans	-80.3	-18	-174.4	-59	-62	168.4	0	0	114	M77 T80 H256 N258	M77-E83 HydrophobicContact CB-CB 3.76Å; T80-E83 WeakPolarHBondContact CB-OE1 3.33Å; T80-E83 PolarHBondContact N-OE1 2.9Å; T80-E83 WeakPolarHBondContact O-CG 3.5Å; T80-E83 VanDerWaalsContact OG1-CD 3.22Å; T80-E83 WeakPolarHBondContact OG1-CG 3.3Å; T80-E83 PolarHBondContact OG1-OE1 3.11Å; E83-H256 PolarHBondContact O-CE1 3.07Å; E83-H256 PolarHBondContact O-NE2 3.39Å; E83-H256 IonicContact OE2-CE1 3.16Å; E83-H256 PolarHBondContact OE2-CE1 3.24Å; E83-H256 IonicContact OE2-ND1 3.78Å; E83-N258 WeakPolarHBondContact O-CB 3.48Å; E83-N258 PolarHBondContact OE2-ND2 3Å
84	N	98	Very high	95.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.182	C	C	.	.			trans	-57.2	129.8	-176.4	-159.7	-56.2	0	0	0	112.8	I67 T70 D71 L74 F86 W87	I67-N84 HydrophobicContact CG1-CB 4.14Å; I67-N84 HydrophobicContact CG2-CB 4Å; I67-N84 PolarHBondContact O-ND2 2.68Å; T70-N84 PolarHBondContact OG1-ND2 3.29Å; D71-N84 VanDerWaalsContact OD1-CB 3.31Å; D71-N84 WeakPolarHBondContact OD1-CB 3.12Å; D71-N84 PolarHBondContact OD1-ND2 2.83Å; L74-N84 WeakPolarHBondContact CD1-ND2 3.43Å; N84-F86 PolarHBondContact O-N 3.38Å; N84-F86 VanDerWaalsContact O-N 3.11Å; N84-F86 WeakPolarHBondContact OD1-CB 3.31Å; N84-F86 WeakPolarHBondContact OD1-CD2 3.35Å; N84-F86 PolarHBondContact OD1-N 3.34Å; N84-W87 WeakPolarHBondContact O-CB 3.45Å; N84-W87 PolarHBondContact O-N 3.45Å; N84-W87 VanDerWaalsContact O-N 3.09Å
85	P	97.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.2	179.7	26.1	-35.3	0	0	0	113.9	W87 G88 L208 Y211 S257	P85-W87 PolarHBondContact O-N 3.24Å; P85-G88 PolarHBondContact O-N 3.01Å; P85-L208 HydrophobicContact CB-CD2 3.94Å; P85-L208 HydrophobicContact CG-CD2 4.33Å; P85-Y211 HydrophobicContact CB-CD1 4.21Å; P85-Y211 HydrophobicContact CB-CD2 4.26Å; P85-Y211 HydrophobicContact CB-CE1 4.09Å; P85-Y211 HydrophobicContact CB-CE2 4.15Å; P85-Y211 HydrophobicContact CB-CG 4.3Å; P85-Y211 HydrophobicContact CG-CD2 4.18Å; P85-Y211 HydrophobicContact CG-CE2 4.36Å; P85-Y211 HydrophobicContact CG-CG 4.41Å; P85-Y211 PolarHBondContact O-OH 3.31Å; P85-S257 CarbonylContact C-O 3.58Å; P85-S257 WeakPolarHBondContact CA-O 3.47Å; P85-S257 PolarHBondContact O-OG 3.44Å
86	F	98.3	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15	174.8	-80.8	-86.8	0	0	0	113.9	Y63 V66 I67 N84 G88 L89 A90 P138 W183 F186 F187 Y211	Y63-F86 HydrophobicContact CD1-CD1 4.14Å; V66-F86 HydrophobicContact CG1-CD1 3.92Å; V66-F86 HydrophobicContact CG1-CD2 3.72Å; V66-F86 HydrophobicContact CG1-CE1 3.86Å; V66-F86 HydrophobicContact CG1-CE2 3.63Å; V66-F86 HydrophobicContact CG1-CG 3.86Å; V66-F86 HydrophobicContact CG1-CZ 3.71Å; I67-F86 HydrophobicContact CD1-CB 4.05Å; I67-F86 HydrophobicContact CG1-CB 3.55Å; N84-F86 PolarHBondContact O-N 3.38Å; N84-F86 VanDerWaalsContact O-N 3.11Å; N84-F86 WeakPolarHBondContact OD1-CB 3.31Å; N84-F86 WeakPolarHBondContact OD1-CD2 3.35Å; N84-F86 PolarHBondContact OD1-N 3.34Å; F86-G88 PolarHBondContact O-N 3.18Å; F86-L89 HydrophobicContact CD1-CD1 3.62Å; F86-L89 HydrophobicContact CE1-CD1 3.88Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L89 VanDerWaalsContact O-N 3.17Å; F86-A90 PolarHBondContact O-N 3.34Å; F86-A90 VanDerWaalsContact O-N 3.14Å; F86-P138 HydrophobicContact CE1-CB 3.65Å; F86-P138 HydrophobicContact CE1-CG 4.1Å; F86-P138 HydrophobicContact CZ-CB 3.92Å; F86-W183 HydrophobicContact CE1-CH2 4.23Å; F86-W183 HydrophobicContact CE1-CZ3 4.25Å; F86-W183 HydrophobicContact CE2-CZ3 4.4Å; F86-W183 HydrophobicContact CZ-CE3 4.34Å; F86-W183 AromaticContact CZ-CH2 3.98Å; F86-W183 HydrophobicContact CZ-CH2 3.98Å; F86-W183 AromaticContact CZ-CZ3 3.57Å; F86-W183 HydrophobicContact CZ-CZ3 3.57Å; F86-F186 HydrophobicContact CE2-CD1 4.46Å; F86-F186 AromaticContact CE2-CE1 3.56Å; F86-F186 HydrophobicContact CE2-CE1 3.56Å; F86-F186 AromaticContact CE2-CZ 3.84Å; F86-F186 HydrophobicContact CE2-CZ 3.84Å; F86-F186 HydrophobicContact CZ-CE1 4.15Å; F86-F187 HydrophobicContact CE2-CZ 4.46Å; F86-F187 HydrophobicContact CZ-CZ 4.04Å; F86-Y211 HydrophobicContact CD2-CE2 4.33Å; F86-Y211 HydrophobicContact CE1-CE2 4.43Å; F86-Y211 HydrophobicContact CE2-CD2 4.34Å; F86-Y211 HydrophobicContact CE2-CE2 4.13Å; F86-Y211 HydrophobicContact CZ-CE2 4.18Å
87	W	98	Very high	95.3	Very high	13 Å²	13	28 Å²	28	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-35.9	174.1	-78.9	115.1	0	0	0	112.3	L28 P29 W32 I67 T82 N84 P85 L89 A90 L91 L259	L28-W87 HydrophobicContact CD2-CH2 3.82Å; L28-W87 HydrophobicContact CD2-CZ3 4.19Å; P29-W87 HydrophobicContact CG-CE3 4.09Å; P29-W87 HydrophobicContact CG-CZ3 3.86Å; W32-W87 HydrophobicContact CD2-CZ3 4.31Å; W32-W87 AromaticContact CE2-CH2 3.7Å; W32-W87 AromaticContact CE2-CZ3 3.85Å; W32-W87 HydrophobicContact CH2-CE3 4.49Å; W32-W87 HydrophobicContact CH2-CH2 4.03Å; W32-W87 AromaticContact CH2-CZ3 3.73Å; W32-W87 HydrophobicContact CH2-CZ3 3.73Å; W32-W87 AromaticContact CZ2-CH2 3.38Å; W32-W87 HydrophobicContact CZ2-CH2 3.38Å; W32-W87 HydrophobicContact CZ2-CZ2 4.35Å; W32-W87 AromaticContact CZ2-CZ3 3.53Å; W32-W87 HydrophobicContact CZ2-CZ3 3.53Å; W32-W87 HydrophobicContact CZ3-CZ3 4.26Å; I67-W87 HydrophobicContact CD1-CD2 3.79Å; I67-W87 HydrophobicContact CD1-CE3 4.03Å; I67-W87 HydrophobicContact CD1-CG 4.14Å; I67-W87 HydrophobicContact CD1-CZ2 4.36Å; I67-W87 HydrophobicContact CD1-CZ3 4.41Å; I67-W87 HydrophobicContact CG2-CZ2 4.29Å; T82-W87 VanDerWaalsContact C-CD1 3.49Å; T82-W87 HydrophobicContact CG2-CZ2 4.4Å; N84-W87 WeakPolarHBondContact O-CB 3.45Å; N84-W87 PolarHBondContact O-N 3.45Å; N84-W87 VanDerWaalsContact O-N 3.09Å; P85-W87 PolarHBondContact O-N 3.24Å; W87-L89 VanDerWaalsContact C-N 3.34Å; W87-L89 PolarHBondContact O-N 3.42Å; W87-A90 HydrophobicContact CE3-CB 4.42Å; W87-A90 WeakPolarHBondContact O-CB 3.26Å; W87-A90 PolarHBondContact O-N 3.42Å; W87-L91 WeakPolarHBondContact O-CB 3.38Å; W87-L91 VanDerWaalsContact O-CG 3.32Å; W87-L91 WeakPolarHBondContact O-CG 3.2Å; W87-L91 PolarHBondContact O-N 2.8Å; W87-L259 HydrophobicContact CB-CB 4.05Å; W87-L259 HydrophobicContact CB-CD1 4.44Å; W87-L259 HydrophobicContact CD2-CB 4.22Å; W87-L259 HydrophobicContact CD2-CD1 3.91Å; W87-L259 HydrophobicContact CE3-CD1 3.5Å; W87-L259 VanDerWaalsContact CE3-CD1 3.5Å; W87-L259 HydrophobicContact CG-CB 3.95Å; W87-L259 HydrophobicContact CG-CD1 4.34Å; W87-L259 HydrophobicContact CZ3-CD1 4.04Å
88	G	96.6	Very high	95.3	Very high	9 Å²	9	30.1 Å²	30.1	9%	0.093	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-41.5	176.3	0	0	0	0	0	113.5	P85 F86 L91 Q92 S257 S262	P85-G88 PolarHBondContact O-N 3.01Å; F86-G88 PolarHBondContact O-N 3.18Å; G88-L91 PolarHBondContact O-N 3.04Å; G88-Q92 VanDerWaalsContact O-CB 3.28Å; G88-Q92 WeakPolarHBondContact O-CB 3.5Å; G88-Q92 PolarHBondContact O-N 3.47Å; G88-S257 PolarHBondContact N-O 3.09Å; G88-S262 WeakPolarHBondContact CA-OG 3.47Å
89	L	97.3	Very high	95.5	Very high	9 Å²	9	29 Å²	29	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-39	177.7	-56.3	174.2	0	0	0	111.9	Y63 F86 W87 L91 Q92 L93	Y63-L89 HydrophobicContact CD1-CB 3.94Å; Y63-L89 HydrophobicContact CD1-CD1 4.23Å; Y63-L89 HydrophobicContact CE1-CB 3.45Å; Y63-L89 VanDerWaalsContact CE1-CB 3.45Å; Y63-L89 HydrophobicContact CE1-CD1 3.62Å; Y63-L89 HydrophobicContact CE1-CG 4.21Å; Y63-L89 HydrophobicContact CE2-CB 4.18Å; F86-L89 HydrophobicContact CD1-CD1 3.62Å; F86-L89 HydrophobicContact CE1-CD1 3.88Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L89 VanDerWaalsContact O-N 3.17Å; W87-L89 VanDerWaalsContact C-N 3.34Å; W87-L89 PolarHBondContact O-N 3.42Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.95Å; L89-Q92 PolarHBondContact O-N 3.43Å; L89-L93 PolarHBondContact O-N 2.88Å
90	A	97.6	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-44.1	176	0	0	0	0	0	111.3	P29 W32 Q60 Y63 F86 W87 G94	P29-A90 HydrophobicContact CG-CB 4.1Å; W32-A90 HydrophobicContact CZ3-CB 4.13Å; Q60-A90 PolarHBondContact NE2-O 3Å; Q60-A90 PolarHBondContact OE1-O 2.85Å; Y63-A90 HydrophobicContact CD2-CB 4.13Å; Y63-A90 HydrophobicContact CG-CB 4.19Å; F86-A90 PolarHBondContact O-N 3.34Å; F86-A90 VanDerWaalsContact O-N 3.14Å; W87-A90 HydrophobicContact CE3-CB 4.42Å; W87-A90 WeakPolarHBondContact O-CB 3.26Å; W87-A90 PolarHBondContact O-N 3.42Å; A90-G94 PolarHBondContact O-N 3.37Å
91	L	97.1	Very high	96.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.6	-39.1	176.2	-69.3	167	0	0	0	111.9	V23 L24 P29 W87 G88 L89 L93 G94 W95 L259 V263 L266	V23-L91 HydrophobicContact CG1-CB 3.78Å; V23-L91 HydrophobicContact CG1-CD2 3.72Å; V23-L91 HydrophobicContact CG1-CG 4.35Å; V23-L91 WeakPolarHBondContact CG1-O 3.46Å; L24-L91 HydrophobicContact CD2-CD2 3.39Å; L24-L91 HydrophobicContact CG-CD2 4.36Å; P29-L91 HydrophobicContact CB-CD2 4.3Å; P29-L91 HydrophobicContact CG-CD2 3.83Å; P29-L91 HydrophobicContact CG-CG 4.24Å; W87-L91 WeakPolarHBondContact O-CB 3.38Å; W87-L91 VanDerWaalsContact O-CG 3.32Å; W87-L91 WeakPolarHBondContact O-CG 3.2Å; W87-L91 PolarHBondContact O-N 2.8Å; G88-L91 PolarHBondContact O-N 3.04Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.95Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.22Å; L91-G94 CarbonylContact O-C 3.53Å; L91-G94 WeakPolarHBondContact O-CA 3.36Å; L91-G94 PolarHBondContact O-N 2.82Å; L91-G94 VanDerWaalsContact O-N 3.1Å; L91-W95 PolarHBondContact O-N 3.39Å; L91-L259 HydrophobicContact CD1-CD1 3.79Å; L91-L259 HydrophobicContact CD1-CG 4.3Å; L91-L259 HydrophobicContact CD2-CD1 3.95Å; L91-L259 HydrophobicContact CG-CD1 4.04Å; L91-V263 HydrophobicContact CD1-CG2 3.85Å; L91-V263 HydrophobicContact CD2-CG2 4.38Å; L91-L266 HydrophobicContact CB-CD1 3.27Å; L91-L266 HydrophobicContact CD1-CD1 4.45Å; L91-L266 HydrophobicContact CG-CD1 4.48Å
92	Q	96.6	Very high	96.9	Very high	29 Å²	29	12.3 Å²	12.3	14%	0.136	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-44	177.5	-169.4	-167.7	-8	0	0	111.3	G88 L89 G94 W95 M96 W243 L266	G88-Q92 VanDerWaalsContact O-CB 3.28Å; G88-Q92 WeakPolarHBondContact O-CB 3.5Å; G88-Q92 PolarHBondContact O-N 3.47Å; L89-Q92 PolarHBondContact O-N 3.43Å; Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.33Å; Q92-W95 PolarHBondContact O-N 3.29Å; Q92-M96 HydrophobicContact CG-CE 3.76Å; Q92-M96 WeakPolarHBondContact O-CG 3.42Å; Q92-M96 PolarHBondContact O-N 3.2Å; Q92-W243 HydrophobicContact CG-CZ2 3.96Å; Q92-W243 VanDerWaalsContact NE2-CZ2 3.31Å; Q92-L266 HydrophobicContact CB-CD1 4.44Å; Q92-L266 HydrophobicContact CB-CD2 4.39Å; Q92-L266 HydrophobicContact CG-CD2 4.44Å
93	L	97.4	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-40.1	174	177.1	53.4	0	0	0	111.3	Y56 R59 Q60 Y63 L89 L91 M96 K97 L102 I121 N131	Y56-L93 HydrophobicContact CD2-CD1 4.16Å; Y56-L93 HydrophobicContact CD2-CG 4.07Å; Y56-L93 HydrophobicContact CE2-CD1 4.3Å; Y56-L93 HydrophobicContact CE2-CD2 4.46Å; Y56-L93 HydrophobicContact CE2-CG 3.82Å; R59-L93 HydrophobicContact CB-CD2 3.98Å; R59-L93 HydrophobicContact CG-CD2 3.75Å; Q60-L93 HydrophobicContact CB-CD2 4.37Å; Q60-L93 VanDerWaalsContact OE1-CD2 3.26Å; Y63-L93 HydrophobicContact CD2-CD2 4.29Å; Y63-L93 HydrophobicContact CE2-CB 4.06Å; Y63-L93 HydrophobicContact CE2-CD2 3.8Å; L89-L93 PolarHBondContact O-N 2.88Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.22Å; L93-M96 PolarHBondContact O-N 3.28Å; L93-K97 PolarHBondContact O-N 3.06Å; L93-L102 HydrophobicContact CD1-CD1 3.58Å; L93-L102 HydrophobicContact CD1-CD2 4.11Å; L93-L102 HydrophobicContact CD1-CG 4.47Å; L93-I121 HydrophobicContact CD1-CD1 4.33Å; L93-N131 WeakPolarHBondContact CD1-OD1 3.46Å
94	G	96	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.1	-47.3	173.3	0	0	0	0	0	113.9	N30 A90 L91 Q92 K97 S98	N30-G94 PolarHBondContact ND2-O 2.93Å; N30-G94 WeakPolarHBondContact OD1-CA 3.29Å; A90-G94 PolarHBondContact O-N 3.37Å; L91-G94 CarbonylContact O-C 3.53Å; L91-G94 WeakPolarHBondContact O-CA 3.36Å; L91-G94 PolarHBondContact O-N 2.82Å; L91-G94 VanDerWaalsContact O-N 3.1Å; Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.33Å; G94-K97 WeakPolarHBondContact O-CB 3.11Å; G94-K97 PolarHBondContact O-N 3.47Å; G94-S98 PolarHBondContact O-N 3.46Å; G94-S98 PolarHBondContact O-OG 3.15Å
95	W	96.6	Very high	97.1	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-44.7	174	164.7	80.3	0	0	0	112	V23 L91 Q92 K97 S98 S99 R101 W127 F239 L269 P270	V23-W95 HydrophobicContact CG1-CB 4.38Å; V23-W95 HydrophobicContact CG2-CB 4.08Å; L91-W95 PolarHBondContact O-N 3.39Å; Q92-W95 PolarHBondContact O-N 3.29Å; W95-K97 PolarHBondContact O-N 3.47Å; W95-S98 PolarHBondContact O-N 3.2Å; W95-S99 WeakPolarHBondContact O-CB 3.26Å; W95-S99 PolarHBondContact O-N 2.94Å; W95-S99 PolarHBondContact O-OG 3.4Å; W95-R101 VanDerWaalsContact CZ2-CZ 3.43Å; W95-W127 HydrophobicContact CH2-CE3 4.34Å; W95-W127 AromaticContact CH2-CH2 3.74Å; W95-W127 HydrophobicContact CH2-CH2 3.74Å; W95-W127 HydrophobicContact CH2-CZ2 4.16Å; W95-W127 AromaticContact CH2-CZ3 3.84Å; W95-W127 HydrophobicContact CH2-CZ3 3.84Å; W95-W127 HydrophobicContact CZ3-CE3 4.02Å; W95-W127 HydrophobicContact CZ3-CH2 4.14Å; W95-W127 AromaticContact CZ3-CZ3 3.73Å; W95-W127 HydrophobicContact CZ3-CZ3 3.73Å; W95-F239 AromaticContact CH2-CE1 3.84Å; W95-F239 HydrophobicContact CH2-CE1 3.84Å; W95-F239 HydrophobicContact CH2-CZ 4.1Å; W95-F239 AromaticContact CZ2-CE1 3.96Å; W95-F239 HydrophobicContact CZ2-CE1 3.96Å; W95-F239 HydrophobicContact CZ2-CZ 4.06Å; W95-L269 HydrophobicContact CD2-CD1 3.98Å; W95-L269 HydrophobicContact CE3-CD1 4.41Å; W95-L269 HydrophobicContact CG-CD1 4.35Å; W95-L269 HydrophobicContact CZ2-CB 4.04Å; W95-L269 HydrophobicContact CZ2-CD1 4.08Å; W95-P270 HydrophobicContact CZ2-CG 4.42Å; W95-P270 PolarHBondContact NE1-O 3.49Å
96	M	97.4	Very high	96.9	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-37.5	176.9	-67.9	-177.8	-165	0	0	111.4	Q92 L93 S99 G100 R101 L102 W127 N131	Q92-M96 HydrophobicContact CG-CE 3.76Å; Q92-M96 WeakPolarHBondContact O-CG 3.42Å; Q92-M96 PolarHBondContact O-N 3.2Å; L93-M96 PolarHBondContact O-N 3.28Å; M96-S99 PolarHBondContact O-OG 3.23Å; M96-G100 PolarHBondContact O-N 3.02Å; M96-R101 HydrophobicContact CB-CB 4.15Å; M96-R101 WeakPolarHBondContact O-CB 3.47Å; M96-R101 PolarHBondContact O-N 3.07Å; M96-L102 HydrophobicContact CB-CD1 4.35Å; M96-L102 HydrophobicContact CB-CD2 3.65Å; M96-L102 HydrophobicContact CB-CG 3.77Å; M96-L102 HydrophobicContact CG-CD2 4.48Å; M96-L102 PolarHBondContact O-N 2.95Å; M96-L102 HydrophobicContact SD-CD2 4.05Å; M96-W127 HydrophobicContact CE-CE3 3.72Å; M96-W127 HydrophobicContact CE-CZ3 4.32Å; M96-W127 HydrophobicContact CG-CB 4.46Å; M96-W127 HydrophobicContact CG-CE3 4.39Å; M96-W127 HydrophobicContact SD-CB 3.9Å; M96-W127 HydrophobicContact SD-CE3 4.2Å; M96-N131 HydrophobicContact CE-CB 4.16Å; M96-N131 HydrophobicContact SD-CB 3.86Å
97	K	95.4	Very high	96.6	Very high	43 Å²	43	17.5 Å²	17.5	19%	0.187	13%	0.126	C	C	.	.	H	α-helix	trans	-66.8	-53.4	175.4	177	150.3	174	54.2	0	111.8	Y56 L93 G94 W95 S99 G100 L102 A118 M119	Y56-K97 HydrophobicContact CD1-CD 3.48Å; Y56-K97 VanDerWaalsContact CD1-CD 3.48Å; Y56-K97 HydrophobicContact CD2-CB 3.84Å; Y56-K97 HydrophobicContact CD2-CD 3.23Å; Y56-K97 HydrophobicContact CD2-CG 4.15Å; Y56-K97 HydrophobicContact CE1-CD 3.78Å; Y56-K97 HydrophobicContact CE2-CB 3.65Å; Y56-K97 HydrophobicContact CE2-CD 3.51Å; Y56-K97 HydrophobicContact CE2-CG 4.17Å; Y56-K97 HydrophobicContact CG-CD 3.21Å; L93-K97 PolarHBondContact O-N 3.06Å; G94-K97 WeakPolarHBondContact O-CB 3.11Å; G94-K97 PolarHBondContact O-N 3.47Å; W95-K97 PolarHBondContact O-N 3.47Å; K97-S99 PolarHBondContact O-N 3.28Å; K97-G100 PolarHBondContact O-N 2.74Å; K97-G100 VanDerWaalsContact O-N 3.13Å; K97-L102 HydrophobicContact CB-CD1 3.7Å; K97-A118 PolarHBondContact NZ-O 3.2Å; K97-M119 VanDerWaalsContact CE-SD 3.56Å; K97-M119 VanDerWaalsContact NZ-CE 3.33Å
98	S	94	Very high	96.4	Very high	48 Å²	48	21.5 Å²	21.5	34%	0.336	16%	0.156	S	C	.	.	H	α-helix	trans	-64.3	-29.1	-175.5	-65.4	0	0	0	0	112.5	L22 N30 G94 W95	L22-S98 WeakPolarHBondContact O-CB 3.4Å; L22-S98 PolarHBondContact O-OG 3.02Å; N30-S98 PolarHBondContact ND2-OG 3.37Å; G94-S98 PolarHBondContact O-N 3.46Å; G94-S98 PolarHBondContact O-OG 3.15Å; W95-S98 PolarHBondContact O-N 3.2Å
99	S	96.1	Very high	96.3	Very high	9 Å²	9	24.6 Å²	24.6	6%	0.063	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.2	177.7	62.3	0	0	0	0	115.4	W95 M96 K97 R101 S271	W95-S99 WeakPolarHBondContact O-CB 3.26Å; W95-S99 PolarHBondContact O-N 2.94Å; W95-S99 PolarHBondContact O-OG 3.4Å; M96-S99 PolarHBondContact O-OG 3.23Å; K97-S99 PolarHBondContact O-N 3.28Å; S99-R101 VanDerWaalsContact C-N 3.27Å; S99-R101 PolarHBondContact O-N 2.91Å; S99-R101 PolarHBondContact OG-NH1 3.11Å; S99-S271 WeakPolarHBondContact CA-O 3.49Å; S99-S271 VanDerWaalsContact CB-O 3.29Å; S99-S271 WeakPolarHBondContact CB-O 3.31Å
100	G	96.3	Very high	96.3	Very high	31 Å²	31	27.6 Å²	27.6	32%	0.32	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	3.2	-179.8	0	0	0	0	0	114.7	M96 K97 L102 A103	M96-G100 PolarHBondContact O-N 3.02Å; K97-G100 PolarHBondContact O-N 2.74Å; K97-G100 VanDerWaalsContact O-N 3.13Å; G100-L102 PolarHBondContact O-N 3.09Å; G100-A103 WeakPolarHBondContact O-CB 3.16Å; G100-A103 PolarHBondContact O-N 2.71Å; G100-A103 VanDerWaalsContact O-N 3.14Å
101	R	98.2	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.4	-177.7	-76.8	177.6	171.3	87.5	7.4	113.9	W95 M96 S99 S125 W127 E236 P270 R272 I273	W95-R101 VanDerWaalsContact CZ2-CZ 3.43Å; M96-R101 HydrophobicContact CB-CB 4.15Å; M96-R101 WeakPolarHBondContact O-CB 3.47Å; M96-R101 PolarHBondContact O-N 3.07Å; S99-R101 VanDerWaalsContact C-N 3.27Å; S99-R101 PolarHBondContact O-N 2.91Å; S99-R101 PolarHBondContact OG-NH1 3.11Å; R101-S125 PolarHBondContact O-OG 2.8Å; R101-W127 HydrophobicContact CB-CB 3.92Å; R101-W127 HydrophobicContact CB-CD2 4.39Å; R101-W127 HydrophobicContact CB-CG 3.71Å; R101-W127 HydrophobicContact CG-CD2 4.4Å; R101-W127 HydrophobicContact CG-CG 4.07Å; R101-E236 IonicContact CZ-OE1 2.7Å; R101-E236 IonicContact CZ-OE2 3.5Å; R101-E236 IonicContact NE-OE1 3.77Å; R101-E236 PolarHBondContact NE-OE1 3.39Å; R101-E236 IonicContact NE-OE2 2.83Å; R101-E236 IonicContact NH2-OE1 2.63Å; R101-E236 PolarHBondContact NH2-OE1 3.42Å; R101-E236 IonicContact NH2-OE2 3.33Å; R101-E236 PolarHBondContact NH2-OE2 3.35Å; R101-P270 PolarHBondContact NH1-O 3.01Å; R101-R272 PolarHBondContact NH1-O 3.38Å; R101-R272 PolarHBondContact NH2-O 3.5Å; R101-I273 HydrophobicContact CG-CG1 3.79Å
102	L	98.3	Very high	96.3	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-13	176.5	-58.3	-180	0	0	0	114.3	Y56 L93 M96 K97 G100 I121 S122	Y56-L102 HydrophobicContact CD2-CD1 3.97Å; L93-L102 HydrophobicContact CD1-CD1 3.58Å; L93-L102 HydrophobicContact CD1-CD2 4.11Å; L93-L102 HydrophobicContact CD1-CG 4.47Å; M96-L102 HydrophobicContact CB-CD1 4.35Å; M96-L102 HydrophobicContact CB-CD2 3.65Å; M96-L102 HydrophobicContact CB-CG 3.77Å; M96-L102 HydrophobicContact CG-CD2 4.48Å; M96-L102 PolarHBondContact O-N 2.95Å; M96-L102 HydrophobicContact SD-CD2 4.05Å; K97-L102 HydrophobicContact CB-CD1 3.7Å; G100-L102 PolarHBondContact O-N 3.09Å; L102-I121 HydrophobicContact CB-CG1 4.28Å; L102-I121 HydrophobicContact CB-CG2 4.29Å; L102-I121 HydrophobicContact CD1-CD1 4.06Å; L102-I121 HydrophobicContact CD1-CG1 3.98Å; L102-I121 HydrophobicContact CD2-CG2 4.16Å; L102-S122 PolarHBondContact O-N 2.71Å
103	A	98.3	Very high	96.2	Very high	11 Å²	11	31.2 Å²	31.2	9%	0.091	22%	0.217	C	C	.	.	S	Bend	trans	-72.4	165.9	179.9	0	0	0	0	0	112	G100 P105 C111 L113	G100-A103 WeakPolarHBondContact O-CB 3.16Å; G100-A103 PolarHBondContact O-N 2.71Å; G100-A103 VanDerWaalsContact O-N 3.14Å; A103-P105 WeakPolarHBondContact O-CD 3.28Å; A103-C111 WeakPolarHBondContact CA-O 3.17Å; A103-L113 HydrophobicContact CB-CD2 3.83Å
104	D	97.9	Very high	95.9	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.064	26%	0.26	C	S	.	.			trans	-68.3	111.7	175.8	-177	2.9	0	0	0	111.6	S106 S108 T109 C111 S122	D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 2.76Å; D104-S106 PolarHBondContact OD1-OG 3.44Å; D104-S106 PolarHBondContact OD2-OG 3.24Å; D104-S108 PolarHBondContact OD2-N 3.18Å; D104-T109 WeakPolarHBondContact CB-OG1 3.25Å; D104-T109 WeakPolarHBondContact OD2-CA 3.25Å; D104-T109 WeakPolarHBondContact OD2-CB 3.29Å; D104-T109 PolarHBondContact OD2-N 3.33Å; D104-T109 PolarHBondContact OD2-OG1 2.64Å; D104-C111 HydrophobicContact CB-CB 4.38Å; D104-C111 PolarHBondContact N-O 3.36Å; D104-S122 VanDerWaalsContact CA-CB 3.42Å; D104-S122 WeakPolarHBondContact CA-OG 3.44Å
105	P	97.4	Very high	95.6	Very high	38 Å²	38	46.1 Å²	46.1	25%	0.247	30%	0.295	C	S	.	.	S	Bend	trans	-81.2	-15.1	179.5	37	-37.4	0	0	0	112.8	A103 G107 E124 H231 Y232	A103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-G107 VanDerWaalsContact C-N 3.33Å; P105-E124 WeakPolarHBondContact CG-O 3.37Å; P105-H231 HydrophobicContact CB-CB 3.82Å; P105-H231 HydrophobicContact CG-CB 3.62Å; P105-Y232 HydrophobicContact CB-CD1 4.41Å; P105-Y232 HydrophobicContact CB-CE1 3.86Å; P105-Y232 HydrophobicContact CB-CE2 4.1Å; P105-Y232 HydrophobicContact CG-CE1 4.43Å; P105-Y232 HydrophobicContact CG-CE2 3.94Å
106	S	94.9	Very high	95.5	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-78.3	-18.3	-175.1	74.4	0	0	0	0	113.2	D104 S108	D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 2.76Å; D104-S106 PolarHBondContact OD1-OG 3.44Å; D104-S106 PolarHBondContact OD2-OG 3.24Å; S106-S108 PolarHBondContact O-N 3.08Å; S106-S108 VanDerWaalsContact OG-CB 3.29Å; S106-S108 WeakPolarHBondContact OG-CB 3.47Å; S106-S108 PolarHBondContact OG-N 3.05Å; S106-S108 VanDerWaalsContact OG-N 3.16Å; S106-S108 PolarHBondContact OG-OG 3.38Å
107	G	91.6	Very high	95.4	Very high	67 Å²	67	51.7 Å²	51.7	69%	0.691	33%	0.333	S	S	*	.	S	Bend	trans	74.3	5.3	-172.2	0	0	0	0	0	114.5	P105 T109	P105-G107 VanDerWaalsContact C-N 3.33Å; G107-T109 VanDerWaalsContact C-N 3.34Å
108	S	93.5	Very high	95.4	Very high	98 Å²	98	51.3 Å²	51.3	69%	0.685	34%	0.338	S	S	*	.	S	Bend	trans	-73.8	-25.9	-178.9	-53.9	0	0	0	0	112.8	D104 S106	D104-S108 PolarHBondContact OD2-N 3.18Å; S106-S108 PolarHBondContact O-N 3.08Å; S106-S108 VanDerWaalsContact OG-CB 3.29Å; S106-S108 WeakPolarHBondContact OG-CB 3.47Å; S106-S108 PolarHBondContact OG-N 3.05Å; S106-S108 VanDerWaalsContact OG-N 3.16Å; S106-S108 PolarHBondContact OG-OG 3.38Å
109	T	95.4	Very high	95.6	Very high	73 Å²	73	51.2 Å²	51.2	45%	0.448	33%	0.333	S	S	.	.			trans	-137.6	171.4	-179.6	76.5	0	0	0	0	111.3	D104 G107 C111	D104-T109 WeakPolarHBondContact CB-OG1 3.25Å; D104-T109 WeakPolarHBondContact OD2-CA 3.25Å; D104-T109 WeakPolarHBondContact OD2-CB 3.29Å; D104-T109 PolarHBondContact OD2-N 3.33Å; D104-T109 PolarHBondContact OD2-OG1 2.64Å; G107-T109 VanDerWaalsContact C-N 3.34Å; T109-C111 WeakPolarHBondContact OG1-CB 3.46Å; T109-C111 PolarHBondContact OG1-N 3.38Å
110	T	96.4	Very high	95.7	Very high	73 Å²	73	52.2 Å²	52.2	45%	0.448	34%	0.339	S	S	.	.			trans	-98.7	14.3	172.4	56.5	0	0	0	0	113.2	G112 L113 G116	T110-G112 PolarHBondContact O-N 2.79Å; T110-L113 WeakPolarHBondContact O-CB 3.27Å; T110-L113 PolarHBondContact O-N 3.36Å; T110-L113 VanDerWaalsContact O-N 3.1Å; T110-G116 WeakPolarHBondContact OG1-CA 3.36Å
111	C	97.8	Very high	95.8	Very high	13 Å²	13	50.8 Å²	50.8	9%	0.088	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	127.8	179.9	173.4	0	0	0	0	111.5	A103 D104 T109 L113 C120 S122	A103-C111 WeakPolarHBondContact CA-O 3.17Å; D104-C111 HydrophobicContact CB-CB 4.38Å; D104-C111 PolarHBondContact N-O 3.36Å; T109-C111 WeakPolarHBondContact OG1-CB 3.46Å; T109-C111 PolarHBondContact OG1-N 3.38Å; C111-L113 PolarHBondContact O-N 3.13Å; C111-C120 HydrophobicContact CB-CB 3.95Å; C111-C120 WeakPolarHBondContact CB-SG 3.41Å; C111-C120 WeakPolarHBondContact SG-CB 3.21Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 3.35Å; C111-S122 VanDerWaalsContact SG-CA 3.51Å; C111-S122 PolarHBondContact SG-N 2.03Å
112	G	96.3	Very high	95.8	Very high	20 Å²	20	51 Å²	51	21%	0.206	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-4.6	179.8	0	0	0	0	0	114.5	T110 D117 C120	T110-G112 PolarHBondContact O-N 2.79Å; G112-D117 WeakPolarHBondContact CA-O 3.41Å; G112-D117 PolarHBondContact N-O 3.22Å; G112-C120 VanDerWaalsContact CA-O 3.24Å; G112-C120 WeakPolarHBondContact CA-O 3.35Å; G112-C120 PolarHBondContact N-O 3.48Å
113	L	94.4	Very high	95.7	Very high	71 Å²	71	51.6 Å²	51.6	37%	0.372	33%	0.33	S	S	.	.	S	Bend	trans	-85.9	153.4	173.2	-56.3	-176.8	0	0	0	110.8	A103 T110 C111 T115 G116	A103-L113 HydrophobicContact CB-CD2 3.83Å; T110-L113 WeakPolarHBondContact O-CB 3.27Å; T110-L113 PolarHBondContact O-N 3.36Å; T110-L113 VanDerWaalsContact O-N 3.1Å; C111-L113 PolarHBondContact O-N 3.13Å; L113-T115 PolarHBondContact O-N 2.96Å; L113-G116 CarbonylContact O-C 3.4Å; L113-G116 PolarHBondContact O-N 3.47Å
114	Q	91.1	Very high	95.6	Very high	193 Å²	193	54.3 Å²	54.3	90%	0.902	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	175.3	-68.5	-177.2	-12.4	0	0	113.2	G116	Q114-G116 VanDerWaalsContact C-N 3.27Å
115	T	90.8	Very high	95.6	Very high	121 Å²	121	53.7 Å²	53.7	74%	0.742	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.6	177.1	52.1	0	0	0	0	113.4	L113	L113-T115 PolarHBondContact O-N 2.96Å
116	G	94.1	Very high	95.7	Very high	32 Å²	32	52 Å²	52	33%	0.33	33%	0.326	S	S	.	.	S	Bend	trans	-128.7	-144	176.6	0	0	0	0	0	111.8	T110 L113 Q114 A118	T110-G116 WeakPolarHBondContact OG1-CA 3.36Å; L113-G116 CarbonylContact O-C 3.4Å; L113-G116 PolarHBondContact O-N 3.47Å; Q114-G116 VanDerWaalsContact C-N 3.27Å; G116-A118 PolarHBondContact O-N 3.48Å
117	D	96.1	Very high	95.9	Very high	88 Å²	88	50.3 Å²	50.3	47%	0.471	31%	0.314	S	S	.	.			trans	-81.4	102.5	170.4	178	5.9	0	0	0	109.8	G112 M119 C120	G112-D117 WeakPolarHBondContact CA-O 3.41Å; G112-D117 PolarHBondContact N-O 3.22Å; D117-M119 PolarHBondContact O-N 3.16Å; D117-M119 PolarHBondContact OD1-N 2.56Å; D117-C120 HydrophobicContact CB-CB 3.86Å; D117-C120 VanDerWaalsContact O-CB 3.24Å; D117-C120 WeakPolarHBondContact O-CB 3.1Å; D117-C120 PolarHBondContact O-N 3.37Å; D117-C120 VanDerWaalsContact O-N 3.08Å; D117-C120 PolarHBondContact OD1-N 2.9Å
118	A	95.7	Very high	96.2	Very high	35 Å²	35	47.1 Å²	47.1	29%	0.289	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	179.1	0	0	0	0	0	113.7	K97 G116	K97-A118 PolarHBondContact NZ-O 3.2Å; G116-A118 PolarHBondContact O-N 3.48Å
119	M	97.3	Very high	96.4	Very high	46 Å²	46	42.6 Å²	42.6	23%	0.227	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.7	176.1	-63.9	-56.4	116.7	0	0	112.9	L31 N55 Y56 L57 K97 D117	L31-M119 HydrophobicContact CD1-CE 3.97Å; L31-M119 HydrophobicContact CD1-SD 3.9Å; N55-M119 CarbonylContact C-O 3.58Å; N55-M119 WeakPolarHBondContact CA-O 3.47Å; N55-M119 WeakPolarHBondContact ND2-CB 3.45Å; Y56-M119 WeakPolarHBondContact CB-O 3.4Å; Y56-M119 HydrophobicContact CD1-SD 4Å; Y56-M119 PolarHBondContact N-O 2.86Å; L57-M119 HydrophobicContact CG-SD 4.28Å; K97-M119 VanDerWaalsContact CE-SD 3.56Å; K97-M119 VanDerWaalsContact NZ-CE 3.33Å; D117-M119 PolarHBondContact O-N 3.16Å; D117-M119 PolarHBondContact OD1-N 2.56Å
120	C	98.2	Very high	96.5	Very high	30 Å²	30	39.8 Å²	39.8	20%	0.203	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-65.7	134.9	175.9	-178.8	0	0	0	0	110.8	C111 G112 D117	C111-C120 HydrophobicContact CB-CB 3.95Å; C111-C120 WeakPolarHBondContact CB-SG 3.41Å; C111-C120 WeakPolarHBondContact SG-CB 3.21Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 3.35Å; G112-C120 VanDerWaalsContact CA-O 3.24Å; G112-C120 WeakPolarHBondContact CA-O 3.35Å; G112-C120 PolarHBondContact N-O 3.48Å; D117-C120 HydrophobicContact CB-CB 3.86Å; D117-C120 VanDerWaalsContact O-CB 3.24Å; D117-C120 WeakPolarHBondContact O-CB 3.1Å; D117-C120 PolarHBondContact O-N 3.37Å; D117-C120 VanDerWaalsContact O-N 3.08Å; D117-C120 PolarHBondContact OD1-N 2.9Å
121	I	98.6	Very high	96.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-103.8	120.5	169.7	-60.3	178.8	0	0	0	107	W54 R59 L93 L102 P123	W54-I121 PolarHBondContact O-N 3.03Å; R59-I121 HydrophobicContact CB-CD1 4.24Å; L93-I121 HydrophobicContact CD1-CD1 4.33Å; L102-I121 HydrophobicContact CB-CG1 4.28Å; L102-I121 HydrophobicContact CB-CG2 4.29Å; L102-I121 HydrophobicContact CD1-CD1 4.06Å; L102-I121 HydrophobicContact CD1-CG1 3.98Å; L102-I121 HydrophobicContact CD2-CG2 4.16Å; I121-P123 WeakPolarHBondContact O-CD 3.45Å
122	S	97.9	Very high	96.6	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.021	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-74.1	130.5	-176.2	-180	0	0	0	0	111.6	L102 D104 C111 E124 S125	L102-S122 PolarHBondContact O-N 2.71Å; D104-S122 VanDerWaalsContact CA-CB 3.42Å; D104-S122 WeakPolarHBondContact CA-OG 3.44Å; C111-S122 VanDerWaalsContact SG-CA 3.51Å; C111-S122 PolarHBondContact SG-N 2.03Å; S122-E124 PolarHBondContact O-N 2.87Å; S122-E124 PolarHBondContact OG-N 3.13Å; S122-S125 WeakPolarHBondContact O-CB 3.26Å; S122-S125 PolarHBondContact O-N 3.11Å; S122-S125 VanDerWaalsContact O-N 3.11Å
123	P	96	Very high	96.7	Very high	21 Å²	21	34.8 Å²	34.8	14%	0.136	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.2	166.1	-22.3	33.9	0	0	0	113.4	W54 I121 S125 P159 V162 K228	W54-P123 HydrophobicContact CD2-CG 4.32Å; W54-P123 HydrophobicContact CE3-CB 4.37Å; W54-P123 HydrophobicContact CE3-CG 3.84Å; W54-P123 HydrophobicContact CH2-CB 4.22Å; W54-P123 HydrophobicContact CH2-CG 4.43Å; W54-P123 HydrophobicContact CZ3-CB 3.94Å; W54-P123 HydrophobicContact CZ3-CG 3.93Å; I121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-S125 VanDerWaalsContact C-N 3.33Å; P123-P159 HydrophobicContact CG-CG 4.11Å; P123-V162 HydrophobicContact CB-CG1 3.99Å; P123-V162 HydrophobicContact CB-CG2 3.76Å; P123-V162 HydrophobicContact CG-CG1 4.5Å; P123-V162 HydrophobicContact CG-CG2 3.77Å; P123-K228 VanDerWaalsContact O-CD 3.25Å; P123-K228 WeakPolarHBondContact O-CD 3.38Å; P123-K228 WeakPolarHBondContact O-CE 3.25Å; P123-K228 PolarHBondContact O-NZ 3.34Å
124	E	97	Very high	96.8	Very high	67 Å²	67	31.8 Å²	31.8	31%	0.313	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.8	176.5	-67.5	-51.7	110.2	0	0	113.5	P105 S122 F126 K228 H231	P105-E124 WeakPolarHBondContact CG-O 3.37Å; S122-E124 PolarHBondContact O-N 2.87Å; S122-E124 PolarHBondContact OG-N 3.13Å; E124-F126 PolarHBondContact O-N 3.42Å; E124-K228 IonicContact OE1-NZ 3.75Å; E124-K228 PolarHBondContact OE1-NZ 3.1Å; E124-K228 IonicContact OE2-NZ 3.93Å; E124-H231 PolarHBondContact O-CD2 3.47Å; E124-H231 IonicContact OE2-CD2 3.79Å; E124-H231 IonicContact OE2-CE1 3.86Å; E124-H231 IonicContact OE2-NE2 3.75Å; E124-H231 PolarHBondContact OE2-NE2 2.58Å
125	S	98.3	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.			trans	-72.8	127.8	173.6	170.7	0	0	0	0	111.3	R101 S122 P123 W127 G128 C129 Y232	R101-S125 PolarHBondContact O-OG 2.8Å; S122-S125 WeakPolarHBondContact O-CB 3.26Å; S122-S125 PolarHBondContact O-N 3.11Å; S122-S125 VanDerWaalsContact O-N 3.11Å; P123-S125 VanDerWaalsContact C-N 3.33Å; S125-W127 VanDerWaalsContact C-N 3.29Å; S125-W127 PolarHBondContact O-N 2.03Å; S125-W127 PolarHBondContact OG-N 3.35Å; S125-G128 PolarHBondContact O-N 2.67Å; S125-G128 PolarHBondContact OG-N 2.81Å; S125-C129 VanDerWaalsContact O-CB 3.23Å; S125-C129 WeakPolarHBondContact O-CB 3.18Å; S125-C129 PolarHBondContact O-N 3.1Å; S125-Y232 WeakPolarHBondContact CA-OH 3.37Å; S125-Y232 PolarHBondContact OG-OH 2.98Å
126	F	98.4	Very high	97.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-57.5	-46.4	168.8	164.4	-103.7	0	0	0	110.7	E124 C129 M130 C225 K228 K229 Y232 A240 L244	E124-F126 PolarHBondContact O-N 3.42Å; F126-C129 PolarHBondContact O-N 2.77Å; F126-M130 HydrophobicContact CD1-CG 4.5Å; F126-M130 HydrophobicContact CD2-CG 3.99Å; F126-M130 HydrophobicContact CE1-CG 3.95Å; F126-M130 HydrophobicContact CE2-CG 3.37Å; F126-M130 HydrophobicContact CE2-SD 3.9Å; F126-M130 HydrophobicContact CZ-CG 3.36Å; F126-M130 HydrophobicContact CZ-SD 3.83Å; F126-M130 WeakPolarHBondContact O-CB 3.36Å; F126-M130 WeakPolarHBondContact O-CG 3.44Å; F126-M130 PolarHBondContact O-N 2.68Å; F126-C225 HydrophobicContact CD2-CB 4.07Å; F126-C225 WeakPolarHBondContact CD2-O 3.28Å; F126-C225 HydrophobicContact CE2-CB 4.23Å; F126-K228 HydrophobicContact CB-CB 4.14Å; F126-K229 HydrophobicContact CB-CG 4.27Å; F126-K229 HydrophobicContact CD1-CG 4.25Å; F126-K229 HydrophobicContact CD2-CD 4.31Å; F126-K229 HydrophobicContact CD2-CG 3.59Å; F126-K229 HydrophobicContact CE2-CD 4.21Å; F126-K229 HydrophobicContact CE2-CG 3.99Å; F126-K229 HydrophobicContact CG-CG 3.73Å; F126-K229 HydrophobicContact CZ-CD 4.48Å; F126-K229 HydrophobicContact CZ-CG 4.47Å; F126-Y232 HydrophobicContact CB-CD2 4.37Å; F126-Y232 HydrophobicContact CB-CE2 3.63Å; F126-Y232 PolarHBondContact N-OH 2.87Å; F126-A240 HydrophobicContact CD1-CB 4.05Å; F126-A240 HydrophobicContact CE1-CB 3.56Å; F126-A240 HydrophobicContact CZ-CB 4.28Å; F126-L244 HydrophobicContact CZ-CD1 4.1Å
127	W	98.5	Very high	97.7	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-42	-179.6	-64.5	101.9	0	0	0	112.1	W95 M96 R101 S125 N131 E236 F239 A240 W243	W95-W127 HydrophobicContact CH2-CE3 4.34Å; W95-W127 AromaticContact CH2-CH2 3.74Å; W95-W127 HydrophobicContact CH2-CH2 3.74Å; W95-W127 HydrophobicContact CH2-CZ2 4.16Å; W95-W127 AromaticContact CH2-CZ3 3.84Å; W95-W127 HydrophobicContact CH2-CZ3 3.84Å; W95-W127 HydrophobicContact CZ3-CE3 4.02Å; W95-W127 HydrophobicContact CZ3-CH2 4.14Å; W95-W127 AromaticContact CZ3-CZ3 3.73Å; W95-W127 HydrophobicContact CZ3-CZ3 3.73Å; M96-W127 HydrophobicContact CE-CE3 3.72Å; M96-W127 HydrophobicContact CE-CZ3 4.32Å; M96-W127 HydrophobicContact CG-CB 4.46Å; M96-W127 HydrophobicContact CG-CE3 4.39Å; M96-W127 HydrophobicContact SD-CB 3.9Å; M96-W127 HydrophobicContact SD-CE3 4.2Å; R101-W127 HydrophobicContact CB-CB 3.92Å; R101-W127 HydrophobicContact CB-CD2 4.39Å; R101-W127 HydrophobicContact CB-CG 3.71Å; R101-W127 HydrophobicContact CG-CD2 4.4Å; R101-W127 HydrophobicContact CG-CG 4.07Å; S125-W127 VanDerWaalsContact C-N 3.29Å; S125-W127 PolarHBondContact O-N 2.03Å; S125-W127 PolarHBondContact OG-N 3.35Å; W127-N131 WeakPolarHBondContact O-CB 3.04Å; W127-N131 PolarHBondContact O-N 3.22Å; W127-E236 WeakPolarHBondContact CZ2-OE1 3.28Å; W127-E236 PolarHBondContact NE1-OE1 2.78Å; W127-F239 HydrophobicContact CH2-CD1 4.19Å; W127-F239 AromaticContact CH2-CE1 3.74Å; W127-F239 HydrophobicContact CH2-CE1 3.74Å; W127-F239 HydrophobicContact CH2-CZ 4.44Å; W127-F239 AromaticContact CZ2-CD1 3.85Å; W127-F239 HydrophobicContact CZ2-CD1 3.85Å; W127-F239 AromaticContact CZ2-CE1 3.71Å; W127-F239 HydrophobicContact CZ2-CE1 3.71Å; W127-A240 HydrophobicContact CZ2-CB 4.07Å; W127-W243 HydrophobicContact CH2-CB 4.17Å; W127-W243 HydrophobicContact CH2-CD2 4.39Å; W127-W243 AromaticContact CH2-CG 3.97Å; W127-W243 HydrophobicContact CH2-CG 3.97Å; W127-W243 AromaticContact CZ3-CD1 3.9Å; W127-W243 HydrophobicContact CZ3-CD2 4.32Å; W127-W243 HydrophobicContact CZ3-CG 4.03Å
128	G	98	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64	-39.9	175.1	0	0	0	0	0	112.6	R59 S125 Y132	R59-G128 PolarHBondContact NH1-O 3.07Å; S125-G128 PolarHBondContact O-N 2.67Å; S125-G128 PolarHBondContact OG-N 2.81Å; G128-Y132 PolarHBondContact O-N 3.47Å
129	C	98.1	Very high	98	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-65.5	-53.3	174.4	-178.5	0	0	0	0	111.5	S125 F126 N131 Y132 F133 F165 C225 K228	S125-C129 VanDerWaalsContact O-CB 3.23Å; S125-C129 WeakPolarHBondContact O-CB 3.18Å; S125-C129 PolarHBondContact O-N 3.1Å; F126-C129 PolarHBondContact O-N 2.77Å; C129-N131 VanDerWaalsContact C-N 3.32Å; C129-N131 PolarHBondContact O-N 3.24Å; C129-Y132 WeakPolarHBondContact O-CB 3.34Å; C129-Y132 PolarHBondContact O-N 3.33Å; C129-F133 VanDerWaalsContact O-CD2 3.29Å; C129-F133 WeakPolarHBondContact O-CD2 3.03Å; C129-F165 HydrophobicContact CB-CE1 4.38Å; C129-F165 HydrophobicContact CB-CZ 4.15Å; C129-F165 VanDerWaalsContact SG-CZ 3.53Å; C129-C225 HydrophobicContact CB-CB 3.68Å; C129-C225 WeakPolarHBondContact CB-SG 3.36Å; C129-C225 VanDerWaalsContact SG-CA 3.52Å; C129-C225 WeakPolarHBondContact SG-CB 3.31Å; C129-C225 CovalentContact SG-SG 2.03Å; C129-C225 PolarHBondContact SG-SG 3.02Å; C129-K228 HydrophobicContact CB-CD 3.83Å
130	M	97.5	Very high	98.1	Very high	14 Å²	14	7.5 Å²	7.5	7%	0.069	4%	0.041	C	C	.	.	H	α-helix	trans	-53.2	-49.9	176.3	-84	-79.5	-48.3	0	0	111.9	F126 Y132 F133 T134 T219 S222 C225 L244	F126-M130 HydrophobicContact CD1-CG 4.5Å; F126-M130 HydrophobicContact CD2-CG 3.99Å; F126-M130 HydrophobicContact CE1-CG 3.95Å; F126-M130 HydrophobicContact CE2-CG 3.37Å; F126-M130 HydrophobicContact CE2-SD 3.9Å; F126-M130 HydrophobicContact CZ-CG 3.36Å; F126-M130 HydrophobicContact CZ-SD 3.83Å; F126-M130 WeakPolarHBondContact O-CB 3.36Å; F126-M130 WeakPolarHBondContact O-CG 3.44Å; F126-M130 PolarHBondContact O-N 2.68Å; M130-Y132 PolarHBondContact O-N 2.82Å; M130-F133 PolarHBondContact O-N 2.98Å; M130-T134 PolarHBondContact O-N 3.03Å; M130-T219 HydrophobicContact CE-CG2 4.45Å; M130-S222 WeakPolarHBondContact CE-OG 3.23Å; M130-S222 VanDerWaalsContact SD-CB 3.53Å; M130-S222 PolarHBondContact SD-OG 3.32Å; M130-C225 HydrophobicContact CG-CB 4.2Å; M130-C225 PolarHBondContact N-SG 3.07Å; M130-C225 VanDerWaalsContact N-SG 3.38Å; M130-L244 HydrophobicContact CE-CD2 3.28Å; M130-L244 HydrophobicContact CE-CG 4.49Å; M130-L244 HydrophobicContact SD-CD2 3.96Å
131	N	97.8	Very high	98.1	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-69.5	-20.2	-178.4	-180	-91.1	0	0	0	112.8	R59 Y63 L93 M96 W127 C129 F133 T134 S135	R59-N131 WeakPolarHBondContact CD-OD1 3.5Å; R59-N131 VanDerWaalsContact NH1-C 3.33Å; R59-N131 PolarHBondContact NH1-OD1 2.85Å; R59-N131 VanDerWaalsContact NH1-OD1 3.1Å; Y63-N131 PolarHBondContact OH-ND2 3.2Å; L93-N131 WeakPolarHBondContact CD1-OD1 3.46Å; M96-N131 HydrophobicContact CE-CB 4.16Å; M96-N131 HydrophobicContact SD-CB 3.86Å; W127-N131 WeakPolarHBondContact O-CB 3.04Å; W127-N131 PolarHBondContact O-N 3.22Å; C129-N131 VanDerWaalsContact C-N 3.32Å; C129-N131 PolarHBondContact O-N 3.24Å; N131-F133 VanDerWaalsContact C-N 3.3Å; N131-F133 PolarHBondContact O-N 3.01Å; N131-T134 WeakPolarHBondContact CA-OG1 3.46Å; N131-T134 PolarHBondContact ND2-OG1 3.4Å; N131-T134 PolarHBondContact O-N 3.28Å; N131-T134 PolarHBondContact O-OG1 3.48Å; N131-S135 WeakPolarHBondContact O-CB 3.47Å; N131-S135 PolarHBondContact O-N 3.08Å; N131-S135 PolarHBondContact O-OG 3.35Å
132	Y	98.6	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-58.3	-49	171.7	179.8	-84.1	0	0	0	109.6	P53 W54 G128 C129 M130 T134 S135 A136 F165 C166	P53-Y132 HydrophobicContact CB-CD2 4.08Å; P53-Y132 HydrophobicContact CB-CE2 3.81Å; P53-Y132 HydrophobicContact CG-CD2 4.24Å; P53-Y132 HydrophobicContact CG-CE2 3.56Å; W54-Y132 HydrophobicContact CH2-CD2 4.02Å; W54-Y132 AromaticContact CZ2-CD2 3.72Å; W54-Y132 HydrophobicContact CZ2-CD2 3.72Å; W54-Y132 AromaticContact CZ2-CE2 3.86Å; W54-Y132 HydrophobicContact CZ2-CE2 3.86Å; G128-Y132 PolarHBondContact O-N 3.47Å; C129-Y132 WeakPolarHBondContact O-CB 3.34Å; C129-Y132 PolarHBondContact O-N 3.33Å; M130-Y132 PolarHBondContact O-N 2.82Å; Y132-T134 PolarHBondContact O-N 2.95Å; Y132-S135 PolarHBondContact O-N 3.19Å; Y132-S135 PolarHBondContact O-OG 3.47Å; Y132-A136 HydrophobicContact CD1-CB 3.99Å; Y132-A136 HydrophobicContact CE1-CB 3.69Å; Y132-A136 HydrophobicContact CE2-CB 4.44Å; Y132-A136 HydrophobicContact CG-CB 4.48Å; Y132-A136 WeakPolarHBondContact O-CB 3.34Å; Y132-A136 PolarHBondContact O-N 3.45Å; Y132-F165 HydrophobicContact CD1-CB 4.48Å; Y132-F165 AromaticContact CD1-CD1 3.45Å; Y132-F165 HydrophobicContact CD1-CD1 3.45Å; Y132-F165 VanDerWaalsContact CD1-CD1 3.45Å; Y132-F165 HydrophobicContact CD1-CE1 4.16Å; Y132-F165 HydrophobicContact CD1-CG 4.38Å; Y132-F165 HydrophobicContact CD2-CD1 4.11Å; Y132-F165 HydrophobicContact CE1-CB 3.93Å; Y132-F165 AromaticContact CE1-CD1 3.79Å; Y132-F165 HydrophobicContact CE1-CD1 3.79Å; Y132-F165 HydrophobicContact CE1-CG 4.31Å; Y132-F165 HydrophobicContact CE2-CB 4.39Å; Y132-F165 HydrophobicContact CE2-CD1 4.37Å; Y132-F165 AromaticContact CG-CD1 3.64Å; Y132-F165 HydrophobicContact CG-CD1 3.64Å; Y132-F165 HydrophobicContact CG-CE1 4.04Å; Y132-C166 PolarHBondContact OH-O 3.3Å
133	F	98.1	Very high	98.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.6	-43.3	-179.9	-66.4	-82	0	0	0	111.7	C129 M130 N131 S135 L137 F165 H176 T218	C129-F133 VanDerWaalsContact O-CD2 3.29Å; C129-F133 WeakPolarHBondContact O-CD2 3.03Å; M130-F133 PolarHBondContact O-N 2.98Å; N131-F133 VanDerWaalsContact C-N 3.3Å; N131-F133 PolarHBondContact O-N 3.01Å; F133-S135 PolarHBondContact O-N 2.65Å; F133-L137 HydrophobicContact CD1-CD1 4.3Å; F133-L137 HydrophobicContact CD1-CG 4.47Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.49Å; F133-L137 PolarHBondContact O-N 3.32Å; F133-F165 HydrophobicContact CE2-CD1 4.18Å; F133-F165 AromaticContact CE2-CE1 3.92Å; F133-F165 HydrophobicContact CE2-CE1 3.92Å; F133-F165 HydrophobicContact CZ-CD1 4.17Å; F133-F165 HydrophobicContact CZ-CE1 4.32Å; F133-H176 AromaticContact CE1-CD2 3.92Å; F133-H176 AromaticContact CE1-CE1 3.79Å; F133-H176 AromaticContact CE1-NE2 3.47Å; F133-H176 WeakPolarHBondContact CE1-NE2 3.25Å; F133-T218 HydrophobicContact CB-CG2 3.78Å; F133-T218 WeakPolarHBondContact O-CG2 3.37Å
134	T	96.8	Very high	98.2	Very high	8 Å²	8	10.4 Å²	10.4	5%	0.049	5%	0.051	C	C	.	.	H	α-helix	trans	-73	-6.5	179.2	69.4	0	0	0	0	114.5	Y63 M130 N131 Y132 P138 T218	Y63-T134 WeakPolarHBondContact CE1-O 3.31Å; Y63-T134 PolarHBondContact OH-O 3.22Å; Y63-T134 VanDerWaalsContact OH-O 3.11Å; M130-T134 PolarHBondContact O-N 3.03Å; N131-T134 WeakPolarHBondContact CA-OG1 3.46Å; N131-T134 PolarHBondContact ND2-OG1 3.4Å; N131-T134 PolarHBondContact O-N 3.28Å; N131-T134 PolarHBondContact O-OG1 3.48Å; Y132-T134 PolarHBondContact O-N 2.95Å; T134-P138 WeakPolarHBondContact O-CG 3Å; T134-T218 HydrophobicContact CG2-CG2 3.86Å
135	S	98.4	Very high	98.2	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-108.4	-52.2	174	54.8	0	0	0	0	111.9	R59 Y63 N131 Y132 F133 P138 F139	R59-S135 WeakPolarHBondContact CD-OG 3.16Å; R59-S135 WeakPolarHBondContact CG-OG 3.19Å; Y63-S135 WeakPolarHBondContact OH-CA 3.34Å; Y63-S135 WeakPolarHBondContact OH-CB 3.48Å; N131-S135 WeakPolarHBondContact O-CB 3.47Å; N131-S135 PolarHBondContact O-N 3.08Å; N131-S135 PolarHBondContact O-OG 3.35Å; Y132-S135 PolarHBondContact O-N 3.19Å; Y132-S135 PolarHBondContact O-OG 3.47Å; F133-S135 PolarHBondContact O-N 2.65Å; S135-P138 WeakPolarHBondContact O-CG 3.48Å; S135-F139 WeakPolarHBondContact O-CB 3.24Å; S135-F139 PolarHBondContact O-N 3.11Å
136	A	98.6	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.7	-46.4	-174.1	0	0	0	0	0	113	Y132 F139 L140 L156	Y132-A136 HydrophobicContact CD1-CB 3.99Å; Y132-A136 HydrophobicContact CE1-CB 3.69Å; Y132-A136 HydrophobicContact CE2-CB 4.44Å; Y132-A136 HydrophobicContact CG-CB 4.48Å; Y132-A136 WeakPolarHBondContact O-CB 3.34Å; Y132-A136 PolarHBondContact O-N 3.45Å; A136-F139 PolarHBondContact O-N 2.89Å; A136-L140 WeakPolarHBondContact O-CB 3.19Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.15Å; A136-L140 PolarHBondContact O-N 2.99Å; A136-L156 HydrophobicContact CB-CD1 3.53Å
137	L	98.8	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-53.1	-176.8	-56.9	-168.9	0	0	0	112.6	F133 F139 L140 S141 C172 H176 A179 M180 T218	F133-L137 HydrophobicContact CD1-CD1 4.3Å; F133-L137 HydrophobicContact CD1-CG 4.47Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.49Å; F133-L137 PolarHBondContact O-N 3.32Å; L137-F139 VanDerWaalsContact C-N 3.3Å; L137-F139 PolarHBondContact O-N 3.33Å; L137-L140 PolarHBondContact O-N 2.9Å; L137-S141 WeakPolarHBondContact O-CB 3.25Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-C172 HydrophobicContact CD2-CB 3.8Å; L137-H176 HydrophobicContact CD1-CB 4.39Å; L137-A179 HydrophobicContact CD1-CB 3.73Å; L137-M180 HydrophobicContact CB-SD 3.81Å; L137-M180 HydrophobicContact CD2-SD 3.73Å; L137-M180 HydrophobicContact CG-SD 4.22Å; L137-T218 HydrophobicContact CD1-CG2 4.08Å
138	P	98.8	Very high	98	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-34.5	176.7	21.4	-30.7	0	0	0	112.7	F86 T134 S135 A142 W183 F187	F86-P138 HydrophobicContact CE1-CB 3.65Å; F86-P138 HydrophobicContact CE1-CG 4.1Å; F86-P138 HydrophobicContact CZ-CB 3.92Å; T134-P138 WeakPolarHBondContact O-CG 3Å; S135-P138 WeakPolarHBondContact O-CG 3.48Å; P138-A142 VanDerWaalsContact O-CB 3.29Å; P138-A142 WeakPolarHBondContact O-CB 3.08Å; P138-A142 PolarHBondContact O-N 3.1Å; P138-W183 HydrophobicContact CB-CD2 3.72Å; P138-W183 HydrophobicContact CB-CE3 3.87Å; P138-W183 HydrophobicContact CB-CG 4.34Å; P138-W183 HydrophobicContact CB-CH2 4.09Å; P138-W183 HydrophobicContact CB-CZ2 3.92Å; P138-W183 HydrophobicContact CB-CZ3 4.07Å; P138-W183 HydrophobicContact CG-CZ2 4.06Å; P138-F187 HydrophobicContact CB-CZ 4.47Å; P138-F187 VanDerWaalsContact O-CE2 3.26Å; P138-F187 WeakPolarHBondContact O-CE2 3.42Å; P138-F187 WeakPolarHBondContact O-CZ 3.04Å
139	F	98.8	Very high	97.8	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-45.8	178.5	179.4	-110.7	0	0	0	112.7	L42 P51 F62 L65 V66 S135 A136 L137 A142 A143 L148 I154 L156	L42-F139 HydrophobicContact CD1-CZ 4.02Å; P51-F139 HydrophobicContact CG-CE1 4.36Å; F62-F139 HydrophobicContact CB-CB 3.97Å; F62-F139 HydrophobicContact CB-CD1 4.46Å; F62-F139 HydrophobicContact CB-CD2 3.6Å; F62-F139 HydrophobicContact CB-CE2 4.17Å; F62-F139 HydrophobicContact CB-CG 3.77Å; F62-F139 AromaticContact CD1-CD1 3.91Å; F62-F139 HydrophobicContact CD1-CD1 3.91Å; F62-F139 AromaticContact CD1-CD2 3.97Å; F62-F139 HydrophobicContact CD1-CD2 3.97Å; F62-F139 AromaticContact CD1-CE1 3.73Å; F62-F139 HydrophobicContact CD1-CE1 3.73Å; F62-F139 AromaticContact CD1-CE2 3.81Å; F62-F139 HydrophobicContact CD1-CE2 3.81Å; F62-F139 HydrophobicContact CD1-CG 4.02Å; F62-F139 AromaticContact CD1-CZ 3.69Å; F62-F139 HydrophobicContact CD1-CZ 3.69Å; F62-F139 HydrophobicContact CD2-CB 4.21Å; F62-F139 HydrophobicContact CD2-CD1 4.08Å; F62-F139 HydrophobicContact CD2-CG 4.08Å; F62-F139 HydrophobicContact CE1-CD1 4.15Å; F62-F139 AromaticContact CE1-CE1 3.78Å; F62-F139 HydrophobicContact CE1-CE1 3.78Å; F62-F139 HydrophobicContact CE1-CZ 4.04Å; F62-F139 HydrophobicContact CE2-CD1 4.29Å; F62-F139 HydrophobicContact CG-CB 4.15Å; F62-F139 AromaticContact CG-CD1 3.9Å; F62-F139 HydrophobicContact CG-CD1 3.9Å; F62-F139 AromaticContact CG-CD2 3.85Å; F62-F139 HydrophobicContact CG-CD2 3.85Å; F62-F139 HydrophobicContact CG-CE1 4.21Å; F62-F139 HydrophobicContact CG-CE2 4.18Å; F62-F139 AromaticContact CG-CG 3.7Å; F62-F139 HydrophobicContact CG-CG 3.7Å; F62-F139 HydrophobicContact CG-CZ 4.36Å; F62-F139 HydrophobicContact CZ-CD1 4.35Å; F62-F139 HydrophobicContact CZ-CE1 4.28Å; L65-F139 HydrophobicContact CB-CE2 4.44Å; L65-F139 HydrophobicContact CD1-CE2 4.15Å; V66-F139 HydrophobicContact CG2-CD2 4.13Å; S135-F139 WeakPolarHBondContact O-CB 3.24Å; S135-F139 PolarHBondContact O-N 3.11Å; A136-F139 PolarHBondContact O-N 2.89Å; L137-F139 VanDerWaalsContact C-N 3.3Å; L137-F139 PolarHBondContact O-N 3.33Å; F139-A142 PolarHBondContact O-N 2.75Å; F139-A143 PolarHBondContact O-N 3.14Å; F139-L148 HydrophobicContact CD2-CD1 3.7Å; F139-L148 HydrophobicContact CE2-CD1 3.26Å; F139-L148 HydrophobicContact CZ-CD1 3.79Å; F139-I154 HydrophobicContact CD1-CD1 4.22Å; F139-I154 HydrophobicContact CE1-CD1 3.49Å; F139-I154 VanDerWaalsContact CE1-CD1 3.49Å; F139-I154 HydrophobicContact CE1-CG2 3.93Å; F139-I154 HydrophobicContact CZ-CD1 3.7Å; F139-L156 HydrophobicContact CD1-CD2 4.29Å; F139-L156 HydrophobicContact CE1-CD2 4.24Å
140	L	98.8	Very high	97.4	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-40	177	-71.2	170.2	0	0	0	111.6	A136 L137 A143 Q144 I154 L156 C172 M180	A136-L140 WeakPolarHBondContact O-CB 3.19Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.15Å; A136-L140 PolarHBondContact O-N 2.99Å; L137-L140 PolarHBondContact O-N 2.9Å; L140-A143 PolarHBondContact O-N 3.28Å; L140-Q144 WeakPolarHBondContact O-CB 3.4Å; L140-Q144 PolarHBondContact O-N 3.21Å; L140-I154 HydrophobicContact CD2-CB 3.95Å; L140-I154 HydrophobicContact CD2-CG2 3.77Å; L140-L156 HydrophobicContact CD1-CD1 3.97Å; L140-L156 HydrophobicContact CD2-CD1 4.46Å; L140-L156 HydrophobicContact CD2-CG 4.29Å; L140-L156 HydrophobicContact CG-CD1 4.25Å; L140-C172 HydrophobicContact CD1-CB 4.35Å; L140-C172 WeakPolarHBondContact CD1-SG 3.37Å; L140-M180 HydrophobicContact CB-CE 4.39Å
141	S	98.6	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-44.5	174.2	177.8	0	0	0	0	111.5	L137 A143 Q144 Q145 W183 D184 F187	L137-S141 WeakPolarHBondContact O-CB 3.25Å; L137-S141 PolarHBondContact O-N 3.45Å; S141-A143 VanDerWaalsContact C-N 3.3Å; S141-A143 PolarHBondContact O-N 3.49Å; S141-Q144 WeakPolarHBondContact O-CB 3.34Å; S141-Q144 PolarHBondContact O-N 3.3Å; S141-Q144 VanDerWaalsContact O-N 3.11Å; S141-Q145 WeakPolarHBondContact O-CG 3.45Å; S141-Q145 PolarHBondContact O-N 3.41Å; S141-W183 VanDerWaalsContact OG-C 3.3Å; S141-W183 WeakPolarHBondContact OG-CB 3.37Å; S141-D184 WeakPolarHBondContact OG-CA 3.46Å; S141-D184 PolarHBondContact OG-N 2.74Å; S141-D184 PolarHBondContact OG-OD1 2.86Å; S141-F187 VanDerWaalsContact OG-CD2 3.31Å; S141-F187 WeakPolarHBondContact OG-CD2 3.48Å
142	A	98.6	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-44.3	175.2	0	0	0	0	0	112.2	V66 P138 F139 Q145 G146 F147 L148 F187	V66-A142 HydrophobicContact CG2-CB 3.84Å; P138-A142 VanDerWaalsContact O-CB 3.29Å; P138-A142 WeakPolarHBondContact O-CB 3.08Å; P138-A142 PolarHBondContact O-N 3.1Å; F139-A142 PolarHBondContact O-N 2.75Å; A142-Q145 PolarHBondContact O-N 3.29Å; A142-G146 PolarHBondContact O-N 3.26Å; A142-F147 HydrophobicContact CB-CB 4.23Å; A142-F147 WeakPolarHBondContact O-CB 3.37Å; A142-F147 PolarHBondContact O-N 3.34Å; A142-L148 HydrophobicContact CB-CD2 4.45Å; A142-L148 HydrophobicContact CB-CG 4.31Å; A142-F187 HydrophobicContact CB-CD1 4.32Å; A142-F187 HydrophobicContact CB-CE1 3.68Å; A142-F187 HydrophobicContact CB-CE2 3.96Å; A142-F187 HydrophobicContact CB-CZ 3.51Å
143	A	98	Very high	96.4	Very high	9 Å²	9	38.6 Å²	38.6	7%	0.074	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-47.8	175.8	0	0	0	0	0	111.6	F139 L140 S141 Q145 G146 L148 I154	F139-A143 PolarHBondContact O-N 3.14Å; L140-A143 PolarHBondContact O-N 3.28Å; S141-A143 VanDerWaalsContact C-N 3.3Å; S141-A143 PolarHBondContact O-N 3.49Å; A143-Q145 VanDerWaalsContact C-N 3.29Å; A143-Q145 PolarHBondContact O-N 2.95Å; A143-G146 PolarHBondContact O-N 3.11Å; A143-L148 HydrophobicContact CB-CD1 3.87Å; A143-L148 HydrophobicContact CB-CG 4.3Å; A143-I154 HydrophobicContact CB-CD1 3.42Å; A143-I154 VanDerWaalsContact CB-CD1 3.42Å; A143-I154 HydrophobicContact CB-CG1 4.1Å
144	Q	97.9	Very high	96.4	Very high	106 Å²	106	39.4 Å²	39.4	50%	0.495	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-36.7	178.7	-179.5	61.9	49.5	0	0	112.7	L140 S141 G146 Y169	L140-Q144 WeakPolarHBondContact O-CB 3.4Å; L140-Q144 PolarHBondContact O-N 3.21Å; S141-Q144 WeakPolarHBondContact O-CB 3.34Å; S141-Q144 PolarHBondContact O-N 3.3Å; S141-Q144 VanDerWaalsContact O-N 3.11Å; Q144-G146 PolarHBondContact O-N 3.17Å; Q144-Y169 HydrophobicContact CB-CD1 4.49Å; Q144-Y169 HydrophobicContact CB-CD2 3.52Å; Q144-Y169 HydrophobicContact CB-CE2 3.71Å; Q144-Y169 HydrophobicContact CB-CG 3.96Å; Q144-Y169 HydrophobicContact CG-CD1 4.04Å; Q144-Y169 HydrophobicContact CG-CD2 3.78Å; Q144-Y169 HydrophobicContact CG-CE1 3.86Å; Q144-Y169 HydrophobicContact CG-CE2 3.6Å; Q144-Y169 HydrophobicContact CG-CG 4.02Å
145	Q	97.6	Very high	96.4	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.248	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.9	177.6	-55.9	-51.6	-44.9	0	0	112.9	S141 A142 A143 F147 D184 F187	S141-Q145 WeakPolarHBondContact O-CG 3.45Å; S141-Q145 PolarHBondContact O-N 3.41Å; A142-Q145 PolarHBondContact O-N 3.29Å; A143-Q145 VanDerWaalsContact C-N 3.29Å; A143-Q145 PolarHBondContact O-N 2.95Å; Q145-F147 HydrophobicContact CB-CD2 3.79Å; Q145-F147 HydrophobicContact CB-CE2 3.94Å; Q145-D184 PolarHBondContact NE2-OD1 2.88Å; Q145-F187 HydrophobicContact CB-CB 3.95Å; Q145-F187 HydrophobicContact CG-CB 3.8Å; Q145-F187 HydrophobicContact CG-CG 4.5Å
146	G	97.2	Very high	96.4	Very high	40 Å²	40	44.5 Å²	44.5	41%	0.412	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	6.3	172.9	0	0	0	0	0	115.6	A142 A143 Q144 L148 G149	A142-G146 PolarHBondContact O-N 3.26Å; A143-G146 PolarHBondContact O-N 3.11Å; Q144-G146 PolarHBondContact O-N 3.17Å; G146-L148 PolarHBondContact O-N 2.7Å; G146-G149 PolarHBondContact O-N 3.33Å
147	F	97.4	Very high	96.4	Very high	32 Å²	32	48.3 Å²	48.3	14%	0.14	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16	-178.4	-76.4	-94.5	0	0	0	113.7	G69 T70 Y73 A142 Q145 F187 L190	G69-F147 WeakPolarHBondContact CA-O 3.33Å; G69-F147 WeakPolarHBondContact O-CD1 3.24Å; T70-F147 HydrophobicContact CG2-CD1 3.66Å; T70-F147 HydrophobicContact CG2-CE1 4.01Å; T70-F147 HydrophobicContact CG2-CG 4.31Å; Y73-F147 HydrophobicContact CD2-CD1 4.27Å; Y73-F147 AromaticContact CD2-CE1 3.55Å; Y73-F147 HydrophobicContact CD2-CE1 3.55Å; Y73-F147 HydrophobicContact CE2-CD1 4.01Å; Y73-F147 AromaticContact CE2-CE1 3.5Å; Y73-F147 HydrophobicContact CE2-CE1 3.5Å; Y73-F147 VanDerWaalsContact CE2-CE1 3.5Å; Y73-F147 HydrophobicContact CE2-CZ 4.41Å; Y73-F147 HydrophobicContact CG-CE1 4.43Å; A142-F147 HydrophobicContact CB-CB 4.23Å; A142-F147 WeakPolarHBondContact O-CB 3.37Å; A142-F147 PolarHBondContact O-N 3.34Å; Q145-F147 HydrophobicContact CB-CD2 3.79Å; Q145-F147 HydrophobicContact CB-CE2 3.94Å; F147-F187 HydrophobicContact CD2-CB 4.07Å; F147-F187 AromaticContact CD2-CD1 3.9Å; F147-F187 HydrophobicContact CD2-CD1 3.9Å; F147-F187 HydrophobicContact CD2-CG 4.24Å; F147-F187 HydrophobicContact CE2-CB 3.65Å; F147-F187 HydrophobicContact CE2-CD1 4.07Å; F147-F187 HydrophobicContact CE2-CG 4.25Å; F147-F187 HydrophobicContact CG-CD1 4.18Å; F147-F187 HydrophobicContact CZ-CB 4.34Å; F147-F187 HydrophobicContact CZ-CD1 4.45Å; F147-F187 VanDerWaalsContact CZ-O 3.31Å; F147-F187 WeakPolarHBondContact CZ-O 3.47Å; F147-L190 HydrophobicContact CD1-CD1 4.48Å; F147-L190 HydrophobicContact CE1-CB 4.48Å; F147-L190 HydrophobicContact CE1-CD1 3.65Å; F147-L190 HydrophobicContact CZ-CB 4.24Å; F147-L190 HydrophobicContact CZ-CD1 3.81Å
148	L	96.2	Very high	96.2	Very high	17 Å²	17	51 Å²	51	9%	0.089	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.3	176.3	-56	-168.2	0	0	0	112.8	V39 L65 F139 A142 A143 G146 I152 I154	V39-L148 HydrophobicContact CG2-CB 4.04Å; V39-L148 WeakPolarHBondContact CG2-O 3.43Å; L65-L148 HydrophobicContact CB-CD2 4.02Å; F139-L148 HydrophobicContact CD2-CD1 3.7Å; F139-L148 HydrophobicContact CE2-CD1 3.26Å; F139-L148 HydrophobicContact CZ-CD1 3.79Å; A142-L148 HydrophobicContact CB-CD2 4.45Å; A142-L148 HydrophobicContact CB-CG 4.31Å; A143-L148 HydrophobicContact CB-CD1 3.87Å; A143-L148 HydrophobicContact CB-CG 4.3Å; G146-L148 PolarHBondContact O-N 2.7Å; L148-I152 HydrophobicContact CB-CD1 4.38Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; L148-I154 HydrophobicContact CD1-CD1 4.08Å
149	G	92.9	Very high	95.9	Very high	30 Å²	30	53 Å²	53	31%	0.309	28%	0.28	S	S	.	.			trans	124.7	158.1	-173.2	0	0	0	0	0	112	G146	G146-G149 PolarHBondContact O-N 3.33Å
150	E	90.1	Very high	95.5	Very high	177 Å²	177	58 Å²	58	83%	0.827	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	138.7	-178.9	-64.8	-174.8	173.1	0	0	111.8	I152	E150-I152 PolarHBondContact O-N 2.93Å; E150-I152 VanDerWaalsContact O-N 3.13Å
151	N	86.3	Confident	94.9	Very high	157 Å²	157	61.9 Å²	61.9	84%	0.84	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.1	173.6	-55.6	-56.3	0	0	0	115.3	Q153	N151-Q153 PolarHBondContact O-N 3.46Å
152	I	91.8	Very high	94.6	Very high	48 Å²	48	63.5 Å²	63.5	25%	0.246	37%	0.372	C	S	.	.			trans	-72.4	124.7	176.1	-65.5	-162.9	0	0	0	110.3	V39 L49 L148 E150 I154	V39-I152 HydrophobicContact CB-CD1 4.28Å; V39-I152 HydrophobicContact CG1-CD1 3.73Å; V39-I152 HydrophobicContact CG2-CD1 4.44Å; L49-I152 HydrophobicContact CD1-CG2 3.33Å; L49-I152 HydrophobicContact CG-CG2 4.32Å; L148-I152 HydrophobicContact CB-CD1 4.38Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; E150-I152 PolarHBondContact O-N 2.93Å; E150-I152 VanDerWaalsContact O-N 3.13Å; I152-I154 HydrophobicContact CG2-CD1 4.16Å; I152-I154 HydrophobicContact CG2-CG1 3.81Å
153	Q	94.6	Very high	94.1	Very high	127 Å²	127	71.9 Å²	71.9	59%	0.593	41%	0.412	S	S	*	.			trans	-101.3	133.2	172.4	-63.1	-173.6	3.5	0	0	110.2	I48 L49 N151	I48-Q153 HydrophobicContact CG1-CB 4.33Å; I48-Q153 HydrophobicContact CG2-CB 4.26Å; L49-Q153 PolarHBondContact N-O 3.44Å; N151-Q153 PolarHBondContact O-N 3.46Å
154	I	97.8	Very high	93.7	Very high	17 Å²	17	74.5 Å²	74.5	9%	0.087	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-127.6	131.1	-177.9	-53	-168	0	0	0	109.7	L49 F139 L140 A143 L148 I152 L156	L49-I154 HydrophobicContact CB-CG1 4.31Å; L49-I154 HydrophobicContact CD1-CD1 4.43Å; L49-I154 HydrophobicContact CD1-CG1 4.2Å; L49-I154 WeakPolarHBondContact O-CA 3.46Å; F139-I154 HydrophobicContact CD1-CD1 4.22Å; F139-I154 HydrophobicContact CE1-CD1 3.49Å; F139-I154 VanDerWaalsContact CE1-CD1 3.49Å; F139-I154 HydrophobicContact CE1-CG2 3.93Å; F139-I154 HydrophobicContact CZ-CD1 3.7Å; L140-I154 HydrophobicContact CD2-CB 3.95Å; L140-I154 HydrophobicContact CD2-CG2 3.77Å; A143-I154 HydrophobicContact CB-CD1 3.42Å; A143-I154 VanDerWaalsContact CB-CD1 3.42Å; A143-I154 HydrophobicContact CB-CG1 4.1Å; L148-I154 HydrophobicContact CD1-CD1 4.08Å; I152-I154 HydrophobicContact CG2-CD1 4.16Å; I152-I154 HydrophobicContact CG2-CG1 3.81Å; I154-L156 HydrophobicContact CG2-CD2 3.77Å; I154-L156 HydrophobicContact CG2-CG 4.4Å
155	K	98	Very high	93.6	Very high	113 Å²	113	70.7 Å²	70.7	49%	0.491	42%	0.421	S	S	.	.			trans	-132.4	102.8	168.8	-178.9	179.8	-179.9	179.2	0	109.4	I48 L49 T50 T168	I48-K155 HydrophobicContact CG2-CB 3.93Å; L49-K155 PolarHBondContact O-N 2.63Å; T50-K155 VanDerWaalsContact CA-O 3.27Å; T50-K155 WeakPolarHBondContact CA-O 3.05Å; K155-T168 HydrophobicContact CB-CG2 4.15Å; K155-T168 HydrophobicContact CG-CG2 3.99Å
156	L	98.4	Very high	93.6	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.016	41%	0.411	C	S	.	.			trans	-64.6	143.2	179.9	-55.3	-178.4	0	0	0	111.1	P51 P53 F62 A136 F139 L140 I154 S167	P51-L156 HydrophobicContact CG-CD2 3.75Å; P53-L156 HydrophobicContact CG-CB 4.05Å; F62-L156 HydrophobicContact CE2-CD2 4.12Å; F62-L156 HydrophobicContact CZ-CD2 3.74Å; A136-L156 HydrophobicContact CB-CD1 3.53Å; F139-L156 HydrophobicContact CD1-CD2 4.29Å; F139-L156 HydrophobicContact CE1-CD2 4.24Å; L140-L156 HydrophobicContact CD1-CD1 3.97Å; L140-L156 HydrophobicContact CD2-CD1 4.46Å; L140-L156 HydrophobicContact CD2-CG 4.29Å; L140-L156 HydrophobicContact CG-CD1 4.25Å; I154-L156 HydrophobicContact CG2-CD2 3.77Å; I154-L156 HydrophobicContact CG2-CG 4.4Å; L156-S167 WeakPolarHBondContact CG-O 3.44Å; L156-S167 PolarHBondContact N-O 3.06Å; L156-S167 WeakPolarHBondContact O-CB 3.33Å
157	Q	97.6	Very high	93.6	Very high	81 Å²	81	67 Å²	67	38%	0.379	40%	0.395	S	S	.	.			trans	-71.8	140.3	174.7	-58	-177.9	15.9	0	0	111.2	T50 P51 N52 P53 W54	T50-Q157 PolarHBondContact O-NE2 3.19Å; P51-Q157 PolarHBondContact O-N 3.24Å; P51-Q157 VanDerWaalsContact O-N 3.07Å; N52-Q157 HydrophobicContact CB-CB 4.37Å; N52-Q157 HydrophobicContact CB-CG 4.37Å; P53-Q157 VanDerWaalsContact CD-O 3.31Å; P53-Q157 WeakPolarHBondContact CD-O 3.35Å; P53-Q157 WeakPolarHBondContact CG-O 3Å; W54-Q157 VanDerWaalsContact CD1-O 3.29Å; W54-Q157 PolarHBondContact NE1-O 3.4Å; W54-Q157 VanDerWaalsContact NE1-O 3.11Å
158	V	95.2	Very high	93.7	Very high	55 Å²	55	66.9 Å²	66.9	33%	0.333	40%	0.396	S	S	.	.			trans	-120.8	125.3	172.5	-175.5	0	0	0	0	108.3	V162	V158-V162 HydrophobicContact CG1-CB 4.38Å; V158-V162 WeakPolarHBondContact CG1-O 3.35Å
159	P	92	Very high	93.8	Very high	43 Å²	43	68.7 Å²	68.7	28%	0.279	40%	0.402	S	S	.	.			trans	-60.2	147	179.7	-24.4	30.7	0	0	0	111	W54 P123 G161 V162	W54-P159 HydrophobicContact CB-CG 4.26Å; W54-P159 HydrophobicContact CD2-CG 3.92Å; W54-P159 HydrophobicContact CG-CG 3.61Å; P123-P159 HydrophobicContact CG-CG 4.11Å; P159-G161 PolarHBondContact O-N 3.29Å; P159-V162 HydrophobicContact CB-CB 4.29Å; P159-V162 HydrophobicContact CB-CG2 3.83Å; P159-V162 HydrophobicContact CG-CG2 4.34Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 PolarHBondContact O-N 2.93Å; P159-V162 VanDerWaalsContact O-N 3.13Å
160	A	89.9	Confident	94	Very high	107 Å²	107	72.5 Å²	72.5	88%	0.884	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	133.4	178.3	0	0	0	0	0	111	V162	A160-V162 PolarHBondContact O-N 3.01Å
161	G	87.6	Confident	94.4	Very high	84 Å²	84	68.2 Å²	68.2	87%	0.866	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	1.1	179.9	0	0	0	0	0	115.2	P159	P159-G161 PolarHBondContact O-N 3.29Å
162	V	90.6	Very high	95	Very high	34 Å²	34	60.7 Å²	60.7	21%	0.206	36%	0.36	C	S	.	.			trans	-95.3	122.1	173.9	177.4	0	0	0	0	109.3	P123 V158 P159 A160 F165	P123-V162 HydrophobicContact CB-CG1 3.99Å; P123-V162 HydrophobicContact CB-CG2 3.76Å; P123-V162 HydrophobicContact CG-CG1 4.5Å; P123-V162 HydrophobicContact CG-CG2 3.77Å; V158-V162 HydrophobicContact CG1-CB 4.38Å; V158-V162 WeakPolarHBondContact CG1-O 3.35Å; P159-V162 HydrophobicContact CB-CB 4.29Å; P159-V162 HydrophobicContact CB-CG2 3.83Å; P159-V162 HydrophobicContact CG-CG2 4.34Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 PolarHBondContact O-N 2.93Å; P159-V162 VanDerWaalsContact O-N 3.13Å; A160-V162 PolarHBondContact O-N 3.01Å; V162-F165 HydrophobicContact CG1-CD2 3.54Å; V162-F165 HydrophobicContact CG1-CE2 3.57Å
163	E	89.8	Confident	95.3	Very high	177 Å²	177	59.8 Å²	59.8	83%	0.827	36%	0.358	S	S	*	.			trans	-113.2	170.1	178.6	-63	-176.1	175.6	0	0	111.3	F165	E163-F165 WeakPolarHBondContact O-CD2 3.47Å
164	G	89	Confident	95.5	Very high	63 Å²	63	57.9 Å²	57.9	65%	0.649	36%	0.363	S	S	*	.	S	Bend	trans	84.9	5	173.6	0	0	0	0	0	115.6
165	F	95.6	Very high	95.4	Very high	26 Å²	26	60.2 Å²	60.2	11%	0.114	38%	0.382	C	S	.	.			trans	-113.5	121.1	174.2	-60.4	-82.5	0	0	0	110.6	W54 C129 Y132 F133 V162 E163	W54-F165 HydrophobicContact CH2-CD1 4.01Å; W54-F165 AromaticContact CH2-CD2 3.91Å; W54-F165 HydrophobicContact CH2-CD2 3.91Å; W54-F165 AromaticContact CH2-CE1 3.75Å; W54-F165 HydrophobicContact CH2-CE1 3.75Å; W54-F165 AromaticContact CH2-CE2 3.63Å; W54-F165 HydrophobicContact CH2-CE2 3.63Å; W54-F165 HydrophobicContact CH2-CG 4.08Å; W54-F165 AromaticContact CH2-CZ 3.54Å; W54-F165 HydrophobicContact CH2-CZ 3.54Å; W54-F165 HydrophobicContact CZ2-CB 4.44Å; W54-F165 HydrophobicContact CZ2-CD1 4.11Å; W54-F165 AromaticContact CZ2-CD2 3.82Å; W54-F165 HydrophobicContact CZ2-CD2 3.82Å; W54-F165 HydrophobicContact CZ2-CE1 4.31Å; W54-F165 HydrophobicContact CZ2-CE2 4.03Å; W54-F165 AromaticContact CZ2-CG 3.84Å; W54-F165 HydrophobicContact CZ2-CG 3.84Å; W54-F165 HydrophobicContact CZ2-CZ 4.27Å; C129-F165 HydrophobicContact CB-CE1 4.38Å; C129-F165 HydrophobicContact CB-CZ 4.15Å; C129-F165 VanDerWaalsContact SG-CZ 3.53Å; Y132-F165 HydrophobicContact CD1-CB 4.48Å; Y132-F165 AromaticContact CD1-CD1 3.45Å; Y132-F165 HydrophobicContact CD1-CD1 3.45Å; Y132-F165 VanDerWaalsContact CD1-CD1 3.45Å; Y132-F165 HydrophobicContact CD1-CE1 4.16Å; Y132-F165 HydrophobicContact CD1-CG 4.38Å; Y132-F165 HydrophobicContact CD2-CD1 4.11Å; Y132-F165 HydrophobicContact CE1-CB 3.93Å; Y132-F165 AromaticContact CE1-CD1 3.79Å; Y132-F165 HydrophobicContact CE1-CD1 3.79Å; Y132-F165 HydrophobicContact CE1-CG 4.31Å; Y132-F165 HydrophobicContact CE2-CB 4.39Å; Y132-F165 HydrophobicContact CE2-CD1 4.37Å; Y132-F165 AromaticContact CG-CD1 3.64Å; Y132-F165 HydrophobicContact CG-CD1 3.64Å; Y132-F165 HydrophobicContact CG-CE1 4.04Å; F133-F165 HydrophobicContact CE2-CD1 4.18Å; F133-F165 AromaticContact CE2-CE1 3.92Å; F133-F165 HydrophobicContact CE2-CE1 3.92Å; F133-F165 HydrophobicContact CZ-CD1 4.17Å; F133-F165 HydrophobicContact CZ-CE1 4.32Å; V162-F165 HydrophobicContact CG1-CD2 3.54Å; V162-F165 HydrophobicContact CG1-CE2 3.57Å; E163-F165 WeakPolarHBondContact O-CD2 3.47Å
166	C	97.3	Very high	95.4	Very high	7 Å²	7	56.3 Å²	56.3	5%	0.047	37%	0.365	C	S	.	.			trans	-73.6	142.9	172.2	63.7	0	0	0	0	110.6	Y132 E171 C172	Y132-C166 PolarHBondContact OH-O 3.3Å; C166-E171 HydrophobicContact CB-CB 3.96Å; C166-C172 HydrophobicContact CB-CB 3.82Å; C166-C172 WeakPolarHBondContact CB-SG 2.91Å; C166-C172 WeakPolarHBondContact SG-CA 3.42Å; C166-C172 WeakPolarHBondContact SG-CB 3.48Å; C166-C172 CovalentContact SG-SG 2.03Å; C166-C172 PolarHBondContact SG-SG 2.91Å
167	S	97.6	Very high	95.4	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.063	39%	0.387	C	S	.	.			trans	-118.2	-15.4	-170.2	71.2	0	0	0	0	115	L156 E171	L156-S167 WeakPolarHBondContact CG-O 3.44Å; L156-S167 PolarHBondContact N-O 3.06Å; L156-S167 WeakPolarHBondContact O-CB 3.33Å; S167-E171 WeakPolarHBondContact CB-OE2 3.29Å; S167-E171 PolarHBondContact N-OE2 3.49Å; S167-E171 PolarHBondContact OG-OE2 2.87Å
168	T	98.5	Very high	95.4	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.178	39%	0.392	C	S	.	.	S	Bend	trans	-125.5	161.4	178	64.6	0	0	0	0	110.3	K155 T170 E171 C172	K155-T168 HydrophobicContact CB-CG2 4.15Å; K155-T168 HydrophobicContact CG-CG2 3.99Å; T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 PolarHBondContact O-N 3.46Å; T168-E171 PolarHBondContact N-OE2 3.38Å; T168-E171 PolarHBondContact O-N 2.9Å; T168-E171 WeakPolarHBondContact OG1-CB 3.13Å; T168-E171 VanDerWaalsContact OG1-CG 3.29Å; T168-E171 WeakPolarHBondContact OG1-CG 3.44Å; T168-E171 PolarHBondContact OG1-N 3.21Å; T168-C172 WeakPolarHBondContact O-CB 3.32Å; T168-C172 PolarHBondContact O-N 3Å; T168-C172 PolarHBondContact O-SG 2.85Å; T168-C172 VanDerWaalsContact O-SG 3.36Å
169	Y	98.6	Very high	95.6	Very high	55 Å²	55	57.3 Å²	57.3	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-53.8	-46.9	174.1	174.5	-89.3	0	0	0	111.1	Q144 E171 C172 S173 M180 D184	Q144-Y169 HydrophobicContact CB-CD1 4.49Å; Q144-Y169 HydrophobicContact CB-CD2 3.52Å; Q144-Y169 HydrophobicContact CB-CE2 3.71Å; Q144-Y169 HydrophobicContact CB-CG 3.96Å; Q144-Y169 HydrophobicContact CG-CD1 4.04Å; Q144-Y169 HydrophobicContact CG-CD2 3.78Å; Q144-Y169 HydrophobicContact CG-CE1 3.86Å; Q144-Y169 HydrophobicContact CG-CE2 3.6Å; Q144-Y169 HydrophobicContact CG-CG 4.02Å; Y169-E171 PolarHBondContact O-N 3.4Å; Y169-C172 PolarHBondContact O-N 3.45Å; Y169-S173 WeakPolarHBondContact CE1-OG 3.18Å; Y169-S173 VanDerWaalsContact CZ-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.48Å; Y169-S173 PolarHBondContact O-N 3.09Å; Y169-S173 PolarHBondContact O-OG 2.84Å; Y169-S173 VanDerWaalsContact O-OG 3.11Å; Y169-M180 HydrophobicContact CD2-CE 3.26Å; Y169-M180 HydrophobicContact CE2-CE 3.4Å; Y169-M180 VanDerWaalsContact CE2-CE 3.4Å; Y169-M180 HydrophobicContact CG-CE 4.22Å; Y169-D184 PolarHBondContact OH-OD2 3.36Å
170	T	98.4	Very high	95.9	Very high	110 Å²	110	55.3 Å²	55.3	68%	0.675	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-45.3	-179.6	-54.6	0	0	0	0	112.6	T168 A174	T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 PolarHBondContact O-N 3.46Å; T170-A174 WeakPolarHBondContact O-CB 3.46Å; T170-A174 PolarHBondContact O-N 3.42Å; T170-A174 VanDerWaalsContact O-N 3.09Å
171	E	98.3	Very high	96.3	Very high	87 Å²	87	54.5 Å²	54.5	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176	-74	166.7	-161.1	0	0	111.3	C166 S167 T168 Y169 S173 A174 S175	C166-E171 HydrophobicContact CB-CB 3.96Å; S167-E171 WeakPolarHBondContact CB-OE2 3.29Å; S167-E171 PolarHBondContact N-OE2 3.49Å; S167-E171 PolarHBondContact OG-OE2 2.87Å; T168-E171 PolarHBondContact N-OE2 3.38Å; T168-E171 PolarHBondContact O-N 2.9Å; T168-E171 WeakPolarHBondContact OG1-CB 3.13Å; T168-E171 VanDerWaalsContact OG1-CG 3.29Å; T168-E171 WeakPolarHBondContact OG1-CG 3.44Å; T168-E171 PolarHBondContact OG1-N 3.21Å; Y169-E171 PolarHBondContact O-N 3.4Å; E171-S173 PolarHBondContact O-N 3.3Å; E171-A174 WeakPolarHBondContact O-CB 3.03Å; E171-A174 PolarHBondContact O-N 2.95Å; E171-A174 VanDerWaalsContact O-N 3.16Å; E171-S175 PolarHBondContact O-N 3.47Å; E171-S175 PolarHBondContact O-OG 3.34Å
172	C	98.4	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-37	-178.1	-68.7	0	0	0	0	112.5	L137 L140 C166 T168 Y169 A174 S175 H176 M180	L137-C172 HydrophobicContact CD2-CB 3.8Å; L140-C172 HydrophobicContact CD1-CB 4.35Å; L140-C172 WeakPolarHBondContact CD1-SG 3.37Å; C166-C172 HydrophobicContact CB-CB 3.82Å; C166-C172 WeakPolarHBondContact CB-SG 2.91Å; C166-C172 WeakPolarHBondContact SG-CA 3.42Å; C166-C172 WeakPolarHBondContact SG-CB 3.48Å; C166-C172 CovalentContact SG-SG 2.03Å; C166-C172 PolarHBondContact SG-SG 2.91Å; T168-C172 WeakPolarHBondContact O-CB 3.32Å; T168-C172 PolarHBondContact O-N 3Å; T168-C172 PolarHBondContact O-SG 2.85Å; T168-C172 VanDerWaalsContact O-SG 3.36Å; Y169-C172 PolarHBondContact O-N 3.45Å; C172-A174 VanDerWaalsContact C-N 3.28Å; C172-A174 PolarHBondContact O-N 3.04Å; C172-S175 PolarHBondContact O-N 2.86Å; C172-H176 CarbonylContact O-C 3.44Å; C172-H176 WeakPolarHBondContact O-CA 3.49Å; C172-H176 WeakPolarHBondContact O-CB 3.44Å; C172-H176 PolarHBondContact O-N 2.82Å; C172-M180 HydrophobicContact CB-CE 4.34Å; C172-M180 HydrophobicContact CB-CG 4.04Å; C172-M180 HydrophobicContact CB-SD 3.88Å; C172-M180 WeakPolarHBondContact O-CG 3.24Å
173	S	98.3	Very high	97.2	Very high	29 Å²	29	51.5 Å²	51.5	20%	0.203	31%	0.308	C	S	.	.	H	α-helix	trans	-69.7	-28.1	175.2	-67.2	0	0	0	0	112	Y169 E171 S177 M180	Y169-S173 WeakPolarHBondContact CE1-OG 3.18Å; Y169-S173 VanDerWaalsContact CZ-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.48Å; Y169-S173 PolarHBondContact O-N 3.09Å; Y169-S173 PolarHBondContact O-OG 2.84Å; Y169-S173 VanDerWaalsContact O-OG 3.11Å; E171-S173 PolarHBondContact O-N 3.3Å; S173-S177 WeakPolarHBondContact O-CA 3.2Å; S173-S177 WeakPolarHBondContact O-CB 3.27Å; S173-S177 PolarHBondContact O-N 3.36Å; S173-M180 WeakPolarHBondContact OG-CB 3.22Å
174	A	98.1	Very high	97.7	Very high	86 Å²	86	43.8 Å²	43.8	71%	0.711	27%	0.272	S	S	*	.	H	α-helix	trans	-75.2	-43	173.5	0	0	0	0	0	112.4	T170 E171 C172	T170-A174 WeakPolarHBondContact O-CB 3.46Å; T170-A174 PolarHBondContact O-N 3.42Å; T170-A174 VanDerWaalsContact O-N 3.09Å; E171-A174 WeakPolarHBondContact O-CB 3.03Å; E171-A174 PolarHBondContact O-N 2.95Å; E171-A174 VanDerWaalsContact O-N 3.16Å; C172-A174 VanDerWaalsContact C-N 3.28Å; C172-A174 PolarHBondContact O-N 3.04Å
175	S	96.9	Very high	98.1	Very high	67 Å²	67	42.7 Å²	42.7	47%	0.469	26%	0.258	S	S	.	.	H	α-helix	trans	-88.4	-25.5	-175.6	66.1	0	0	0	0	114.5	E171 C172	E171-S175 PolarHBondContact O-N 3.47Å; E171-S175 PolarHBondContact O-OG 3.34Å; C172-S175 PolarHBondContact O-N 2.86Å
176	H	97.3	Very high	98.3	Very high	30 Å²	30	41.5 Å²	41.5	14%	0.139	25%	0.252	C	S	.	.	S	Bend	trans	-135.8	46.7	-177	-51.8	-63.3	0	0	0	111.3	F133 L137 C172 D178 A179 M180 A221	F133-H176 AromaticContact CE1-CD2 3.92Å; F133-H176 AromaticContact CE1-CE1 3.79Å; F133-H176 AromaticContact CE1-NE2 3.47Å; F133-H176 WeakPolarHBondContact CE1-NE2 3.25Å; L137-H176 HydrophobicContact CD1-CB 4.39Å; C172-H176 CarbonylContact O-C 3.44Å; C172-H176 WeakPolarHBondContact O-CA 3.49Å; C172-H176 WeakPolarHBondContact O-CB 3.44Å; C172-H176 PolarHBondContact O-N 2.82Å; H176-D178 PolarHBondContact O-N 2.95Å; H176-D178 VanDerWaalsContact O-N 3.13Å; H176-A179 HydrophobicContact CB-CB 4.49Å; H176-A179 PolarHBondContact O-N 3.16Å; H176-A179 VanDerWaalsContact O-N 3.11Å; H176-M180 PolarHBondContact O-N 2.97Å; H176-A221 HydrophobicContact CB-CB 4.37Å
177	S	98	Very high	98.4	Very high	70 Å²	70	41.2 Å²	41.2	49%	0.49	25%	0.25	S	S	.	.	H	α-helix	trans	-49.7	-41	-175	59.2	0	0	0	0	113.9	S173 T181	S173-S177 WeakPolarHBondContact O-CA 3.2Å; S173-S177 WeakPolarHBondContact O-CB 3.27Å; S173-S177 PolarHBondContact O-N 3.36Å; S177-T181 VanDerWaalsContact O-CB 3.25Å; S177-T181 WeakPolarHBondContact O-CB 3.19Å; S177-T181 PolarHBondContact O-N 3.31Å; S177-T181 PolarHBondContact O-OG1 3.41Å
178	D	98.5	Very high	98.4	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-46.9	-179.2	-169.5	57.2	0	0	0	112.7	H176 K182	H176-D178 PolarHBondContact O-N 2.95Å; H176-D178 VanDerWaalsContact O-N 3.13Å; D178-K182 WeakPolarHBondContact O-CD 3.47Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.13Å; D178-K182 PolarHBondContact O-N 3.09Å; D178-K182 IonicContact OD1-NZ 2.91Å; D178-K182 PolarHBondContact OD1-NZ 3.5Å; D178-K182 IonicContact OD2-NZ 2.8Å; D178-K182 PolarHBondContact OD2-NZ 2.85Å
179	A	98.4	Very high	98.4	Very high	2 Å²	2	46 Å²	46	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-44	178.8	0	0	0	0	0	111.3	L137 H176 K182 W183 A217 A221	L137-A179 HydrophobicContact CD1-CB 3.73Å; H176-A179 HydrophobicContact CB-CB 4.49Å; H176-A179 PolarHBondContact O-N 3.16Å; H176-A179 VanDerWaalsContact O-N 3.11Å; A179-K182 PolarHBondContact O-N 3.48Å; A179-W183 VanDerWaalsContact O-CD1 3.23Å; A179-W183 PolarHBondContact O-N 3.33Å; A179-A217 HydrophobicContact CB-CB 4.18Å; A179-A221 HydrophobicContact CB-CB 4.38Å
180	M	98.8	Very high	98.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-43.8	178.8	-70.2	-59	-63.6	0	0	112.3	L137 L140 Y169 C172 S173 H176 K182 W183 D184	L137-M180 HydrophobicContact CB-SD 3.81Å; L137-M180 HydrophobicContact CD2-SD 3.73Å; L137-M180 HydrophobicContact CG-SD 4.22Å; L140-M180 HydrophobicContact CB-CE 4.39Å; Y169-M180 HydrophobicContact CD2-CE 3.26Å; Y169-M180 HydrophobicContact CE2-CE 3.4Å; Y169-M180 VanDerWaalsContact CE2-CE 3.4Å; Y169-M180 HydrophobicContact CG-CE 4.22Å; C172-M180 HydrophobicContact CB-CE 4.34Å; C172-M180 HydrophobicContact CB-CG 4.04Å; C172-M180 HydrophobicContact CB-SD 3.88Å; C172-M180 WeakPolarHBondContact O-CG 3.24Å; S173-M180 WeakPolarHBondContact OG-CB 3.22Å; H176-M180 PolarHBondContact O-N 2.97Å; M180-K182 VanDerWaalsContact C-N 3.28Å; M180-K182 PolarHBondContact O-N 3.2Å; M180-W183 PolarHBondContact O-N 2.91Å; M180-D184 VanDerWaalsContact O-CG 3.31Å; M180-D184 PolarHBondContact O-N 2.66Å
181	T	98.8	Very high	98.4	Very high	89 Å²	89	43.4 Å²	43.4	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-39.2	177.1	-58.3	0	0	0	0	111.5	S177 D184 A185	S177-T181 VanDerWaalsContact O-CB 3.25Å; S177-T181 WeakPolarHBondContact O-CB 3.19Å; S177-T181 PolarHBondContact O-N 3.31Å; S177-T181 PolarHBondContact O-OG1 3.41Å; T181-D184 PolarHBondContact O-N 3.21Å; T181-A185 WeakPolarHBondContact O-CB 3.35Å; T181-A185 PolarHBondContact O-N 3.43Å
182	K	98.9	Very high	98.3	Very high	55 Å²	55	43 Å²	43	24%	0.239	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-35.3	177.6	-72.3	169.8	164.5	88.5	0	112.6	D178 A179 M180 A185 F186 V213 A214 A217	D178-K182 WeakPolarHBondContact O-CD 3.47Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.13Å; D178-K182 PolarHBondContact O-N 3.09Å; D178-K182 IonicContact OD1-NZ 2.91Å; D178-K182 PolarHBondContact OD1-NZ 3.5Å; D178-K182 IonicContact OD2-NZ 2.8Å; D178-K182 PolarHBondContact OD2-NZ 2.85Å; A179-K182 PolarHBondContact O-N 3.48Å; M180-K182 VanDerWaalsContact C-N 3.28Å; M180-K182 PolarHBondContact O-N 3.2Å; K182-A185 PolarHBondContact O-N 3.11Å; K182-F186 PolarHBondContact O-N 2.82Å; K182-V213 HydrophobicContact CB-CG1 4.48Å; K182-V213 HydrophobicContact CD-CG1 3.56Å; K182-V213 HydrophobicContact CG-CG1 3.92Å; K182-A214 HydrophobicContact CB-CB 3.84Å; K182-A217 HydrophobicContact CD-CB 3.34Å
183	W	98.9	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-44.2	170.6	-80.5	120.7	0	0	0	112	F86 P138 S141 A179 M180 A185 F186 F187 Y211 A214 Q215 T218	F86-W183 HydrophobicContact CE1-CH2 4.23Å; F86-W183 HydrophobicContact CE1-CZ3 4.25Å; F86-W183 HydrophobicContact CE2-CZ3 4.4Å; F86-W183 HydrophobicContact CZ-CE3 4.34Å; F86-W183 AromaticContact CZ-CH2 3.98Å; F86-W183 HydrophobicContact CZ-CH2 3.98Å; F86-W183 AromaticContact CZ-CZ3 3.57Å; F86-W183 HydrophobicContact CZ-CZ3 3.57Å; P138-W183 HydrophobicContact CB-CD2 3.72Å; P138-W183 HydrophobicContact CB-CE3 3.87Å; P138-W183 HydrophobicContact CB-CG 4.34Å; P138-W183 HydrophobicContact CB-CH2 4.09Å; P138-W183 HydrophobicContact CB-CZ2 3.92Å; P138-W183 HydrophobicContact CB-CZ3 4.07Å; P138-W183 HydrophobicContact CG-CZ2 4.06Å; S141-W183 VanDerWaalsContact OG-C 3.3Å; S141-W183 WeakPolarHBondContact OG-CB 3.37Å; A179-W183 VanDerWaalsContact O-CD1 3.23Å; A179-W183 PolarHBondContact O-N 3.33Å; M180-W183 PolarHBondContact O-N 2.91Å; W183-A185 VanDerWaalsContact C-N 3.28Å; W183-A185 PolarHBondContact O-N 3.04Å; W183-F186 HydrophobicContact CE3-CB 4.23Å; W183-F186 HydrophobicContact CE3-CD1 4.04Å; W183-F186 HydrophobicContact CE3-CG 4.3Å; W183-F186 HydrophobicContact CZ3-CD1 4.03Å; W183-F186 HydrophobicContact CZ3-CG 4.25Å; W183-F186 WeakPolarHBondContact O-CB 3.41Å; W183-F186 PolarHBondContact O-N 3.27Å; W183-F186 VanDerWaalsContact O-N 3.09Å; W183-F187 HydrophobicContact CB-CE2 4.44Å; W183-F187 HydrophobicContact CE3-CE2 4.12Å; W183-F187 WeakPolarHBondContact O-CD2 3.42Å; W183-F187 PolarHBondContact O-N 2.73Å; W183-Y211 AromaticContact CH2-CD2 3.98Å; W183-Y211 HydrophobicContact CH2-CD2 3.98Å; W183-Y211 AromaticContact CH2-CE2 3.86Å; W183-Y211 HydrophobicContact CH2-CE2 3.86Å; W183-Y211 AromaticContact CZ3-CD2 3.97Å; W183-Y211 HydrophobicContact CZ3-CD2 3.97Å; W183-Y211 HydrophobicContact CZ3-CE2 4.21Å; W183-A214 HydrophobicContact CD2-CB 3.6Å; W183-A214 HydrophobicContact CE3-CB 3.72Å; W183-A214 HydrophobicContact CG-CB 4.08Å; W183-A214 HydrophobicContact CH2-CB 4.12Å; W183-A214 HydrophobicContact CZ2-CB 4.04Å; W183-A214 HydrophobicContact CZ3-CB 3.97Å; W183-Q215 HydrophobicContact CH2-CG 3.78Å; W183-Q215 VanDerWaalsContact CZ2-CD 3.42Å; W183-Q215 HydrophobicContact CZ2-CG 3.88Å; W183-T218 PolarHBondContact NE1-OG1 2.03Å
184	D	98.9	Very high	98.2	Very high	15 Å²	15	44 Å²	44	8%	0.08	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-44.2	175.1	-70.3	-25.3	0	0	0	110.6	S141 Q145 Y169 M180 T181 F186 F187 Q188	S141-D184 WeakPolarHBondContact OG-CA 3.46Å; S141-D184 PolarHBondContact OG-N 2.74Å; S141-D184 PolarHBondContact OG-OD1 2.86Å; Q145-D184 PolarHBondContact NE2-OD1 2.88Å; Y169-D184 PolarHBondContact OH-OD2 3.36Å; M180-D184 VanDerWaalsContact O-CG 3.31Å; M180-D184 PolarHBondContact O-N 2.66Å; T181-D184 PolarHBondContact O-N 3.21Å; D184-F186 VanDerWaalsContact C-N 3.35Å; D184-F186 PolarHBondContact O-N 2.59Å; D184-F187 PolarHBondContact O-N 3.24Å; D184-Q188 VanDerWaalsContact O-CB 3.28Å; D184-Q188 WeakPolarHBondContact O-CB 3.44Å; D184-Q188 WeakPolarHBondContact O-CG 2.94Å; D184-Q188 PolarHBondContact O-N 2.98Å
185	A	98.8	Very high	98.2	Very high	41 Å²	41	46.3 Å²	46.3	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-40.6	175.5	0	0	0	0	0	112.8	T181 K182 W183 A189 V210	T181-A185 WeakPolarHBondContact O-CB 3.35Å; T181-A185 PolarHBondContact O-N 3.43Å; K182-A185 PolarHBondContact O-N 3.11Å; W183-A185 VanDerWaalsContact C-N 3.28Å; W183-A185 PolarHBondContact O-N 3.04Å; A185-A189 VanDerWaalsContact O-CB 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.05Å; A185-V210 HydrophobicContact CB-CG1 4.3Å
186	F	98.8	Very high	98.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-53.5	174.9	166.9	-96.2	0	0	0	111.2	F86 K182 W183 D184 Q188 A189 L190 I207 V210 Y211	F86-F186 HydrophobicContact CE2-CD1 4.46Å; F86-F186 AromaticContact CE2-CE1 3.56Å; F86-F186 HydrophobicContact CE2-CE1 3.56Å; F86-F186 AromaticContact CE2-CZ 3.84Å; F86-F186 HydrophobicContact CE2-CZ 3.84Å; F86-F186 HydrophobicContact CZ-CE1 4.15Å; K182-F186 PolarHBondContact O-N 2.82Å; W183-F186 HydrophobicContact CE3-CB 4.23Å; W183-F186 HydrophobicContact CE3-CD1 4.04Å; W183-F186 HydrophobicContact CE3-CG 4.3Å; W183-F186 HydrophobicContact CZ3-CD1 4.03Å; W183-F186 HydrophobicContact CZ3-CG 4.25Å; W183-F186 WeakPolarHBondContact O-CB 3.41Å; W183-F186 PolarHBondContact O-N 3.27Å; W183-F186 VanDerWaalsContact O-N 3.09Å; D184-F186 VanDerWaalsContact C-N 3.35Å; D184-F186 PolarHBondContact O-N 2.59Å; F186-Q188 PolarHBondContact O-N 2.9Å; F186-A189 PolarHBondContact O-N 3.05Å; F186-L190 HydrophobicContact CE1-CD1 4.1Å; F186-L190 HydrophobicContact CE1-CD2 4.36Å; F186-L190 HydrophobicContact CE1-CG 4.46Å; F186-L190 HydrophobicContact CE2-CD2 4.06Å; F186-L190 HydrophobicContact CZ-CD1 4.33Å; F186-L190 HydrophobicContact CZ-CD2 3.86Å; F186-L190 HydrophobicContact CZ-CG 4.43Å; F186-L190 PolarHBondContact O-N 2.88Å; F186-I207 HydrophobicContact CD2-CG2 4.4Å; F186-I207 HydrophobicContact CE2-CG2 3.75Å; F186-V210 VanDerWaalsContact CA-CG1 3.49Å; F186-V210 HydrophobicContact CB-CG1 3.9Å; F186-Y211 HydrophobicContact CD2-CD2 4.41Å; F186-Y211 HydrophobicContact CE2-CD2 4.04Å; F186-Y211 HydrophobicContact CE2-CG 4.34Å; F186-Y211 HydrophobicContact CZ-CD2 4.27Å
187	F	98.8	Very high	98.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-39.7	-178.2	-72.5	-65.7	0	0	0	112.2	V66 T70 F86 P138 S141 A142 Q145 F147 W183 D184 A189 L190	V66-F187 HydrophobicContact CG1-CE1 4.06Å; V66-F187 HydrophobicContact CG1-CZ 4.13Å; T70-F187 HydrophobicContact CG2-CD1 3.98Å; T70-F187 HydrophobicContact CG2-CE1 3.74Å; F86-F187 HydrophobicContact CE2-CZ 4.46Å; F86-F187 HydrophobicContact CZ-CZ 4.04Å; P138-F187 HydrophobicContact CB-CZ 4.47Å; P138-F187 VanDerWaalsContact O-CE2 3.26Å; P138-F187 WeakPolarHBondContact O-CE2 3.42Å; P138-F187 WeakPolarHBondContact O-CZ 3.04Å; S141-F187 VanDerWaalsContact OG-CD2 3.31Å; S141-F187 WeakPolarHBondContact OG-CD2 3.48Å; A142-F187 HydrophobicContact CB-CD1 4.32Å; A142-F187 HydrophobicContact CB-CE1 3.68Å; A142-F187 HydrophobicContact CB-CE2 3.96Å; A142-F187 HydrophobicContact CB-CZ 3.51Å; Q145-F187 HydrophobicContact CB-CB 3.95Å; Q145-F187 HydrophobicContact CG-CB 3.8Å; Q145-F187 HydrophobicContact CG-CG 4.5Å; F147-F187 HydrophobicContact CD2-CB 4.07Å; F147-F187 AromaticContact CD2-CD1 3.9Å; F147-F187 HydrophobicContact CD2-CD1 3.9Å; F147-F187 HydrophobicContact CD2-CG 4.24Å; F147-F187 HydrophobicContact CE2-CB 3.65Å; F147-F187 HydrophobicContact CE2-CD1 4.07Å; F147-F187 HydrophobicContact CE2-CG 4.25Å; F147-F187 HydrophobicContact CG-CD1 4.18Å; F147-F187 HydrophobicContact CZ-CB 4.34Å; F147-F187 HydrophobicContact CZ-CD1 4.45Å; F147-F187 VanDerWaalsContact CZ-O 3.31Å; F147-F187 WeakPolarHBondContact CZ-O 3.47Å; W183-F187 HydrophobicContact CB-CE2 4.44Å; W183-F187 HydrophobicContact CE3-CE2 4.12Å; W183-F187 WeakPolarHBondContact O-CD2 3.42Å; W183-F187 PolarHBondContact O-N 2.73Å; D184-F187 PolarHBondContact O-N 3.24Å; F187-A189 VanDerWaalsContact C-N 3.27Å; F187-A189 PolarHBondContact O-N 3.29Å; F187-L190 HydrophobicContact CD1-CD1 4.12Å; F187-L190 PolarHBondContact O-N 3.36Å
188	Q	98.6	Very high	98.1	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-28.8	176.4	-72.3	169.3	1.7	0	0	112.9	D184 F186 P192	D184-Q188 VanDerWaalsContact O-CB 3.28Å; D184-Q188 WeakPolarHBondContact O-CB 3.44Å; D184-Q188 WeakPolarHBondContact O-CG 2.94Å; D184-Q188 PolarHBondContact O-N 2.98Å; F186-Q188 PolarHBondContact O-N 2.9Å; Q188-P192 WeakPolarHBondContact O-CD 3.23Å; Q188-P192 WeakPolarHBondContact O-CG 3.06Å
189	A	98.4	Very high	98	Very high	24 Å²	24	49.3 Å²	49.3	20%	0.198	28%	0.279	C	S	.	.	H	α-helix	trans	-77.2	-19.4	179.4	0	0	0	0	0	114	A185 F186 F187 T193 I207	A185-A189 VanDerWaalsContact O-CB 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.05Å; F186-A189 PolarHBondContact O-N 3.05Å; F187-A189 VanDerWaalsContact C-N 3.27Å; F187-A189 PolarHBondContact O-N 3.29Å; A189-T193 WeakPolarHBondContact O-CB 3.29Å; A189-T193 PolarHBondContact O-N 3.43Å; A189-T193 VanDerWaalsContact O-N 3.07Å; A189-T193 PolarHBondContact O-OG1 3.23Å; A189-I207 HydrophobicContact CB-CD1 3.68Å
190	L	98.4	Very high	97.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-54.7	-172.5	-68.4	-179.1	0	0	0	112.8	T70 Y73 L74 F147 F186 F187 T193 S194 I207	T70-L190 HydrophobicContact CG2-CD1 3.5Å; T70-L190 VanDerWaalsContact CG2-CD1 3.5Å; Y73-L190 HydrophobicContact CG-CB 4.39Å; L74-L190 HydrophobicContact CD2-CD2 3.64Å; L74-L190 HydrophobicContact CG-CD2 4.23Å; F147-L190 HydrophobicContact CD1-CD1 4.48Å; F147-L190 HydrophobicContact CE1-CB 4.48Å; F147-L190 HydrophobicContact CE1-CD1 3.65Å; F147-L190 HydrophobicContact CZ-CB 4.24Å; F147-L190 HydrophobicContact CZ-CD1 3.81Å; F186-L190 HydrophobicContact CE1-CD1 4.1Å; F186-L190 HydrophobicContact CE1-CD2 4.36Å; F186-L190 HydrophobicContact CE1-CG 4.46Å; F186-L190 HydrophobicContact CE2-CD2 4.06Å; F186-L190 HydrophobicContact CZ-CD1 4.33Å; F186-L190 HydrophobicContact CZ-CD2 3.86Å; F186-L190 HydrophobicContact CZ-CG 4.43Å; F186-L190 PolarHBondContact O-N 2.88Å; F187-L190 HydrophobicContact CD1-CD1 4.12Å; F187-L190 PolarHBondContact O-N 3.36Å; L190-T193 PolarHBondContact O-N 3.38Å; L190-S194 WeakPolarHBondContact O-CB 3.25Å; L190-S194 PolarHBondContact O-N 3.37Å; L190-I207 HydrophobicContact CD2-CD1 4.29Å; L190-I207 HydrophobicContact CD2-CG2 3.91Å
191	K	97.3	Very high	97.6	Very high	110 Å²	110	57.2 Å²	57.2	48%	0.478	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-51.1	-176.9	179.2	178.4	-179.2	-178.8	0	112.5	Y73 T193 S194 E195	Y73-K191 HydrophobicContact CD1-CB 3.9Å; Y73-K191 HydrophobicContact CD1-CG 4.29Å; Y73-K191 HydrophobicContact CE1-CB 3.98Å; Y73-K191 HydrophobicContact CE1-CD 4.33Å; Y73-K191 HydrophobicContact CE1-CG 4.12Å; K191-T193 VanDerWaalsContact C-N 3.28Å; K191-T193 PolarHBondContact O-N 2.89Å; K191-S194 WeakPolarHBondContact O-CB 3.01Å; K191-S194 PolarHBondContact O-N 2.97Å; K191-E195 WeakPolarHBondContact CE-OE1 3.49Å; K191-E195 WeakPolarHBondContact CG-OE1 3.47Å; K191-E195 PolarHBondContact O-N 3.37Å; K191-E195 VanDerWaalsContact O-N 3.1Å
192	P	97.8	Very high	97.5	Very high	80 Å²	80	57.1 Å²	57.1	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-38.8	177.1	-24.4	34.6	0	0	0	113.2	Q188 E195 S196	Q188-P192 WeakPolarHBondContact O-CD 3.23Å; Q188-P192 WeakPolarHBondContact O-CG 3.06Å; P192-E195 PolarHBondContact O-N 3.19Å; P192-S196 PolarHBondContact O-N 2.81Å; P192-S196 VanDerWaalsContact O-N 3.11Å
193	T	97.9	Very high	97.4	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.104	31%	0.307	C	S	.	.	H	α-helix	trans	-68.5	-41.4	178.5	-56.8	0	0	0	0	111.8	Y76 A189 L190 K191 E195 S196 K203 I207	Y76-T193 HydrophobicContact CE1-CG2 4.49Å; Y76-T193 HydrophobicContact CE2-CG2 4.43Å; A189-T193 WeakPolarHBondContact O-CB 3.29Å; A189-T193 PolarHBondContact O-N 3.43Å; A189-T193 VanDerWaalsContact O-N 3.07Å; A189-T193 PolarHBondContact O-OG1 3.23Å; L190-T193 PolarHBondContact O-N 3.38Å; K191-T193 VanDerWaalsContact C-N 3.28Å; K191-T193 PolarHBondContact O-N 2.89Å; T193-E195 VanDerWaalsContact C-N 3.3Å; T193-E195 PolarHBondContact O-N 3.11Å; T193-S196 WeakPolarHBondContact O-CB 3.44Å; T193-S196 PolarHBondContact O-N 3.14Å; T193-S196 VanDerWaalsContact O-N 3.16Å; T193-S196 PolarHBondContact O-OG 3.24Å; T193-K203 HydrophobicContact CG2-CB 3.72Å; T193-K203 HydrophobicContact CG2-CD 4.49Å; T193-K203 HydrophobicContact CG2-CG 3.97Å; T193-K203 WeakPolarHBondContact O-CD 3.16Å; T193-I207 HydrophobicContact CG2-CD1 4.18Å; T193-I207 HydrophobicContact CG2-CG1 3.71Å; T193-I207 WeakPolarHBondContact OG1-CD1 3.28Å
194	S	96.7	Very high	97.3	Very high	31 Å²	31	57.8 Å²	57.8	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-55.6	-46.3	174.8	-171.7	0	0	0	0	111.7	L190 K191 S196 K203	L190-S194 WeakPolarHBondContact O-CB 3.25Å; L190-S194 PolarHBondContact O-N 3.37Å; K191-S194 WeakPolarHBondContact O-CB 3.01Å; K191-S194 PolarHBondContact O-N 2.97Å; S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact O-N 3.36Å; S194-K203 PolarHBondContact O-NZ 3.46Å
195	E	96.6	Very high	97.3	Very high	135 Å²	135	57.7 Å²	57.7	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-77.6	-8.2	-179.1	-65.6	171.9	179.1	0	0	114.1	K191 P192 T193	K191-E195 WeakPolarHBondContact CE-OE1 3.49Å; K191-E195 WeakPolarHBondContact CG-OE1 3.47Å; K191-E195 PolarHBondContact O-N 3.37Å; K191-E195 VanDerWaalsContact O-N 3.1Å; P192-E195 PolarHBondContact O-N 3.19Å; T193-E195 VanDerWaalsContact C-N 3.3Å; T193-E195 PolarHBondContact O-N 3.11Å
196	S	96.8	Very high	97.2	Very high	34 Å²	34	58.5 Å²	58.5	24%	0.238	32%	0.32	C	S	.	.	S	Bend	trans	-70.7	158.7	-177.7	76.2	0	0	0	0	113.3	P192 T193 S194 L198 K203	P192-S196 PolarHBondContact O-N 2.81Å; P192-S196 VanDerWaalsContact O-N 3.11Å; T193-S196 WeakPolarHBondContact O-CB 3.44Å; T193-S196 PolarHBondContact O-N 3.14Å; T193-S196 VanDerWaalsContact O-N 3.16Å; T193-S196 PolarHBondContact O-OG 3.24Å; S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact O-N 3.36Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-K203 WeakPolarHBondContact O-CE 3.31Å; S196-K203 PolarHBondContact O-NZ 3.38Å; S196-K203 VanDerWaalsContact OG-CE 3.26Å; S196-K203 WeakPolarHBondContact OG-CE 3.39Å
197	T	96.8	Very high	97.2	Very high	144 Å²	144	58.5 Å²	58.5	88%	0.883	32%	0.32	S	S	*	.			trans	-90.9	8.1	175.8	61.9	0	0	0	0	113.5
198	L	96.4	Very high	97.1	Very high	77 Å²	77	58.4 Å²	58.4	40%	0.403	32%	0.319	S	S	.	.	S	Bend	trans	-65.7	153.5	178.8	-68.1	176	0	0	0	110.8	S196 E202 K203	S196-L198 VanDerWaalsContact C-N 3.32Å; L198-E202 HydrophobicContact CB-CB 4.37Å; L198-K203 HydrophobicContact CB-CG 3.96Å; L198-K203 WeakPolarHBondContact O-CE 3.47Å
199	P	96.3	Very high	97.1	Very high	64 Å²	64	53.3 Å²	53.3	42%	0.416	30%	0.298	S	S	.	.			trans	-56.3	145.7	167.2	-26.4	37.3	0	0	0	112.2	N201 E202 K203	P199-N201 VanDerWaalsContact C-N 3.25Å; P199-N201 WeakPolarHBondContact CB-OD1 3.37Å; P199-N201 PolarHBondContact O-N 3.22Å; P199-E202 HydrophobicContact CB-CG 4.44Å; P199-E202 WeakPolarHBondContact O-CB 3.38Å; P199-E202 PolarHBondContact O-N 3.44Å; P199-K203 PolarHBondContact O-N 2.86Å
200	D	95.7	Very high	97.1	Very high	95 Å²	95	54.1 Å²	54.1	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-34.5	-175.7	-74.6	-13.2	0	0	0	113.3	Y76 E202 K203 K204	Y76-D200 WeakPolarHBondContact CB-OD1 3.38Å; D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 2.92Å; D200-K203 PolarHBondContact O-N 3.34Å; D200-K204 WeakPolarHBondContact O-CB 3.42Å; D200-K204 PolarHBondContact O-N 2.9Å
201	N	94.6	Very high	97.1	Very high	75 Å²	75	54.2 Å²	54.2	40%	0.401	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-36.9	175.5	65.8	-44.5	0	0	0	112.1	P199 D205	P199-N201 VanDerWaalsContact C-N 3.25Å; P199-N201 WeakPolarHBondContact CB-OD1 3.37Å; P199-N201 PolarHBondContact O-N 3.22Å; N201-D205 VanDerWaalsContact O-CB 3.22Å; N201-D205 WeakPolarHBondContact O-CB 3.19Å; N201-D205 PolarHBondContact O-N 2.91Å
202	E	95.9	Very high	97.2	Very high	86 Å²	86	50.5 Å²	50.5	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-71.7	-41.7	174.8	-68	-174.3	-141.4	0	0	111.8	L198 P199 D200 K204 D205 S206	L198-E202 HydrophobicContact CB-CB 4.37Å; P199-E202 HydrophobicContact CB-CG 4.44Å; P199-E202 WeakPolarHBondContact O-CB 3.38Å; P199-E202 PolarHBondContact O-N 3.44Å; D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 2.92Å; E202-K204 PolarHBondContact O-N 3.5Å; E202-D205 PolarHBondContact O-N 3.37Å; E202-S206 VanDerWaalsContact O-CB 3.29Å; E202-S206 WeakPolarHBondContact O-CB 3.29Å; E202-S206 PolarHBondContact O-N 3.32Å
203	K	97.6	Very high	97.2	Very high	21 Å²	21	50.2 Å²	50.2	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-49.9	173.7	-65.8	-174.4	-173.6	-167	0	111.1	Y76 T193 S194 S196 L198 P199 D200 S206 I207	Y76-K203 HydrophobicContact CD1-CB 4.38Å; Y76-K203 HydrophobicContact CD1-CD 3.88Å; Y76-K203 HydrophobicContact CD2-CB 3.49Å; Y76-K203 VanDerWaalsContact CD2-CB 3.49Å; Y76-K203 HydrophobicContact CD2-CD 4.39Å; Y76-K203 HydrophobicContact CE1-CD 4.46Å; Y76-K203 HydrophobicContact CE2-CB 3.78Å; Y76-K203 HydrophobicContact CG-CB 3.84Å; Y76-K203 HydrophobicContact CG-CD 3.86Å; T193-K203 HydrophobicContact CG2-CB 3.72Å; T193-K203 HydrophobicContact CG2-CD 4.49Å; T193-K203 HydrophobicContact CG2-CG 3.97Å; T193-K203 WeakPolarHBondContact O-CD 3.16Å; S194-K203 PolarHBondContact O-NZ 3.46Å; S196-K203 WeakPolarHBondContact O-CE 3.31Å; S196-K203 PolarHBondContact O-NZ 3.38Å; S196-K203 VanDerWaalsContact OG-CE 3.26Å; S196-K203 WeakPolarHBondContact OG-CE 3.39Å; L198-K203 HydrophobicContact CB-CG 3.96Å; L198-K203 WeakPolarHBondContact O-CE 3.47Å; P199-K203 PolarHBondContact O-N 2.86Å; D200-K203 PolarHBondContact O-N 3.34Å; K203-S206 PolarHBondContact O-N 3.1Å; K203-I207 PolarHBondContact O-N 3.42Å
204	K	97.1	Very high	97.3	Very high	48 Å²	48	49.4 Å²	49.4	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-51.9	177.7	171.2	165.9	-168.7	164.2	0	111.3	Y76 M77 D200 E202 S206 I207 L208 H256	Y76-K204 HydrophobicContact CD2-CB 4.39Å; M77-K204 PolarHBondContact O-NZ 3.05Å; M77-K204 HydrophobicContact SD-CB 3.97Å; M77-K204 HydrophobicContact SD-CD 4.2Å; M77-K204 HydrophobicContact SD-CG 3.64Å; D200-K204 WeakPolarHBondContact O-CB 3.42Å; D200-K204 PolarHBondContact O-N 2.9Å; E202-K204 PolarHBondContact O-N 3.5Å; K204-S206 VanDerWaalsContact C-N 3.34Å; K204-S206 PolarHBondContact O-N 3.23Å; K204-I207 PolarHBondContact O-N 3.29Å; K204-L208 HydrophobicContact CD-CD1 4.48Å; K204-L208 HydrophobicContact CG-CD1 3.68Å; K204-L208 HydrophobicContact CG-CG 4.42Å; K204-L208 WeakPolarHBondContact O-CB 3.35Å; K204-L208 VanDerWaalsContact O-CG 3.24Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.33Å; K204-H256 PolarHBondContact NZ-CE1 3.4Å; K204-H256 PolarHBondContact NZ-ND1 3.28Å
205	D	97.1	Very high	97.4	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-40.9	-178.3	-175.1	78.4	0	0	0	112.2	N201 E202 G209 H254 V322 R325	N201-D205 VanDerWaalsContact O-CB 3.22Å; N201-D205 WeakPolarHBondContact O-CB 3.19Å; N201-D205 PolarHBondContact O-N 2.91Å; E202-D205 PolarHBondContact O-N 3.37Å; D205-G209 PolarHBondContact O-N 2.91Å; D205-H254 PolarHBondContact O-ND1 2.84Å; D205-H254 IonicContact OD1-CG 3.38Å; D205-H254 IonicContact OD1-ND1 2.59Å; D205-H254 PolarHBondContact OD1-ND1 2.97Å; D205-H254 IonicContact OD2-CE1 3.02Å; D205-H254 IonicContact OD2-ND1 2.74Å; D205-H254 PolarHBondContact OD2-ND1 2.76Å; D205-V322 HydrophobicContact CB-CG1 4.29Å; D205-V322 HydrophobicContact CB-CG2 4Å; D205-R325 IonicContact OD1-CZ 3.66Å; D205-R325 IonicContact OD1-NE 2.96Å; D205-R325 PolarHBondContact OD1-NE 3.49Å; D205-R325 IonicContact OD1-NH2 2.66Å; D205-R325 IonicContact OD2-CZ 2.92Å; D205-R325 VanDerWaalsContact OD2-CZ 3.25Å; D205-R325 IonicContact OD2-NE 3.9Å; D205-R325 PolarHBondContact OD2-NE 3.4Å; D205-R325 VanDerWaalsContact OD2-NE 3.15Å; D205-R325 IonicContact OD2-NH2 3.82Å; D205-R325 PolarHBondContact OD2-NH2 2.97Å
206	S	97.3	Very high	97.4	Very high	58 Å²	58	42.6 Å²	42.6	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-50.1	176.1	-177.2	0	0	0	0	111.9	E202 K203 K204 G209 V210	E202-S206 VanDerWaalsContact O-CB 3.29Å; E202-S206 WeakPolarHBondContact O-CB 3.29Å; E202-S206 PolarHBondContact O-N 3.32Å; K203-S206 PolarHBondContact O-N 3.1Å; K204-S206 VanDerWaalsContact C-N 3.34Å; K204-S206 PolarHBondContact O-N 3.23Å; S206-G209 PolarHBondContact O-N 3.13Å; S206-V210 PolarHBondContact O-N 3.33Å; S206-V210 VanDerWaalsContact O-N 3.1Å
207	I	98.4	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-37.9	-178.3	-69.7	-64.1	0	0	0	112.3	L74 Y76 M77 F186 A189 L190 T193 K203 K204 G209 V210 Y211	L74-I207 HydrophobicContact CD2-CG2 4.01Å; Y76-I207 HydrophobicContact CE2-CG1 4.32Å; Y76-I207 WeakPolarHBondContact OH-CG1 3.43Å; M77-I207 HydrophobicContact CE-CB 3.7Å; M77-I207 HydrophobicContact CE-CG2 3.4Å; F186-I207 HydrophobicContact CD2-CG2 4.4Å; F186-I207 HydrophobicContact CE2-CG2 3.75Å; A189-I207 HydrophobicContact CB-CD1 3.68Å; L190-I207 HydrophobicContact CD2-CD1 4.29Å; L190-I207 HydrophobicContact CD2-CG2 3.91Å; T193-I207 HydrophobicContact CG2-CD1 4.18Å; T193-I207 HydrophobicContact CG2-CG1 3.71Å; T193-I207 WeakPolarHBondContact OG1-CD1 3.28Å; K203-I207 PolarHBondContact O-N 3.42Å; K204-I207 PolarHBondContact O-N 3.29Å; I207-G209 VanDerWaalsContact C-N 3.26Å; I207-G209 PolarHBondContact O-N 2.93Å; I207-V210 PolarHBondContact O-N 3.2Å; I207-Y211 WeakPolarHBondContact O-CB 3.43Å; I207-Y211 PolarHBondContact O-N 3.48Å
208	L	98.5	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-35.1	172.8	-68.6	173.3	0	0	0	111.5	M77 P85 K204 Y211 W212 H254 H256	M77-L208 HydrophobicContact CE-CD2 4.34Å; M77-L208 HydrophobicContact CE-CG 4.19Å; M77-L208 HydrophobicContact SD-CG 4.47Å; P85-L208 HydrophobicContact CB-CD2 3.94Å; P85-L208 HydrophobicContact CG-CD2 4.33Å; K204-L208 HydrophobicContact CD-CD1 4.48Å; K204-L208 HydrophobicContact CG-CD1 3.68Å; K204-L208 HydrophobicContact CG-CG 4.42Å; K204-L208 WeakPolarHBondContact O-CB 3.35Å; K204-L208 VanDerWaalsContact O-CG 3.24Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.33Å; L208-Y211 PolarHBondContact O-N 2.95Å; L208-W212 WeakPolarHBondContact O-CB 3.41Å; L208-W212 PolarHBondContact O-N 3.28Å; L208-H254 HydrophobicContact CB-CB 3.85Å; L208-H254 WeakPolarHBondContact CD1-O 3.48Å; L208-H256 HydrophobicContact CD1-CB 3.91Å
209	G	98.2	Very high	97.6	Very high	8 Å²	8	31.9 Å²	31.9	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-50.7	172.2	0	0	0	0	0	112.6	D205 S206 I207 Y211 W212 V213 H254	D205-G209 PolarHBondContact O-N 2.91Å; S206-G209 PolarHBondContact O-N 3.13Å; I207-G209 VanDerWaalsContact C-N 3.26Å; I207-G209 PolarHBondContact O-N 2.93Å; G209-Y211 PolarHBondContact O-N 2.72Å; G209-W212 PolarHBondContact O-N 3.31Å; G209-V213 WeakPolarHBondContact O-CB 3.44Å; G209-V213 VanDerWaalsContact O-CG2 3.28Å; G209-V213 WeakPolarHBondContact O-CG2 3.37Å; G209-V213 PolarHBondContact O-N 2.89Å; G209-H254 VanDerWaalsContact CA-CE1 3.41Å; G209-H254 WeakPolarHBondContact CA-CE1 3.34Å; G209-H254 VanDerWaalsContact CA-NE2 3.32Å; G209-H254 WeakPolarHBondContact CA-NE2 3.28Å
210	V	98.5	Very high	97.5	Very high	41 Å²	41	34.5 Å²	34.5	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-39.6	178.8	-171.5	0	0	0	0	111.4	A185 F186 S206 I207 V213 A214	A185-V210 HydrophobicContact CB-CG1 4.3Å; F186-V210 VanDerWaalsContact CA-CG1 3.49Å; F186-V210 HydrophobicContact CB-CG1 3.9Å; S206-V210 PolarHBondContact O-N 3.33Å; S206-V210 VanDerWaalsContact O-N 3.1Å; I207-V210 PolarHBondContact O-N 3.2Å; V210-V213 PolarHBondContact O-N 3.49Å; V210-A214 PolarHBondContact O-N 2.75Å
211	Y	98.8	Very high	97.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-50.7	174.2	172.3	-98.3	0	0	0	112	P85 F86 W183 F186 I207 L208 G209 V213 A214 Q215	P85-Y211 HydrophobicContact CB-CD1 4.21Å; P85-Y211 HydrophobicContact CB-CD2 4.26Å; P85-Y211 HydrophobicContact CB-CE1 4.09Å; P85-Y211 HydrophobicContact CB-CE2 4.15Å; P85-Y211 HydrophobicContact CB-CG 4.3Å; P85-Y211 HydrophobicContact CG-CD2 4.18Å; P85-Y211 HydrophobicContact CG-CE2 4.36Å; P85-Y211 HydrophobicContact CG-CG 4.41Å; P85-Y211 PolarHBondContact O-OH 3.31Å; F86-Y211 HydrophobicContact CD2-CE2 4.33Å; F86-Y211 HydrophobicContact CE1-CE2 4.43Å; F86-Y211 HydrophobicContact CE2-CD2 4.34Å; F86-Y211 HydrophobicContact CE2-CE2 4.13Å; F86-Y211 HydrophobicContact CZ-CE2 4.18Å; W183-Y211 AromaticContact CH2-CD2 3.98Å; W183-Y211 HydrophobicContact CH2-CD2 3.98Å; W183-Y211 AromaticContact CH2-CE2 3.86Å; W183-Y211 HydrophobicContact CH2-CE2 3.86Å; W183-Y211 AromaticContact CZ3-CD2 3.97Å; W183-Y211 HydrophobicContact CZ3-CD2 3.97Å; W183-Y211 HydrophobicContact CZ3-CE2 4.21Å; F186-Y211 HydrophobicContact CD2-CD2 4.41Å; F186-Y211 HydrophobicContact CE2-CD2 4.04Å; F186-Y211 HydrophobicContact CE2-CG 4.34Å; F186-Y211 HydrophobicContact CZ-CD2 4.27Å; I207-Y211 WeakPolarHBondContact O-CB 3.43Å; I207-Y211 PolarHBondContact O-N 3.48Å; L208-Y211 PolarHBondContact O-N 2.95Å; G209-Y211 PolarHBondContact O-N 2.72Å; Y211-V213 PolarHBondContact O-N 2.85Å; Y211-A214 PolarHBondContact O-N 3.31Å; Y211-Q215 HydrophobicContact CD1-CG 4.41Å; Y211-Q215 HydrophobicContact CE1-CG 3.91Å; Y211-Q215 HydrophobicContact CE2-CG 4.14Å; Y211-Q215 PolarHBondContact O-N 3.02Å
212	W	98.5	Very high	97.6	Very high	32 Å²	32	27.2 Å²	27.2	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-33.2	-178.4	-81.3	112.4	0	0	0	112.7	L208 G209 A214 Q215 M216 V250 A251 F255	L208-W212 WeakPolarHBondContact O-CB 3.41Å; L208-W212 PolarHBondContact O-N 3.28Å; G209-W212 PolarHBondContact O-N 3.31Å; W212-A214 VanDerWaalsContact C-N 3.33Å; W212-A214 PolarHBondContact O-N 3.38Å; W212-Q215 HydrophobicContact CE3-CB 4.04Å; W212-Q215 HydrophobicContact CZ3-CB 4.38Å; W212-Q215 PolarHBondContact O-N 3.02Å; W212-M216 WeakPolarHBondContact O-CB 3.32Å; W212-M216 VanDerWaalsContact O-CG 3.29Å; W212-M216 WeakPolarHBondContact O-CG 3.41Å; W212-M216 PolarHBondContact O-N 2.72Å; W212-V250 HydrophobicContact CH2-CB 4.36Å; W212-V250 HydrophobicContact CH2-CG1 3.43Å; W212-V250 VanDerWaalsContact CH2-CG1 3.43Å; W212-V250 HydrophobicContact CZ2-CG1 3.42Å; W212-V250 VanDerWaalsContact CZ2-CG1 3.42Å; W212-V250 HydrophobicContact CZ3-CG1 4.16Å; W212-A251 HydrophobicContact CB-CB 3.94Å; W212-A251 HydrophobicContact CD2-CB 4.06Å; W212-A251 HydrophobicContact CE3-CB 3.77Å; W212-A251 HydrophobicContact CG-CB 4.15Å; W212-F255 HydrophobicContact CZ2-CB 4.1Å; W212-F255 HydrophobicContact CZ2-CD1 4.42Å; W212-F255 PolarHBondContact NE1-O 3.44Å
213	V	98.6	Very high	97.5	Very high	74 Å²	74	26.3 Å²	26.3	45%	0.448	15%	0.146	S	C	.	.	H	α-helix	trans	-59.9	-45.1	171	166	0	0	0	0	110.8	K182 G209 V210 Y211 A217	K182-V213 HydrophobicContact CB-CG1 4.48Å; K182-V213 HydrophobicContact CD-CG1 3.56Å; K182-V213 HydrophobicContact CG-CG1 3.92Å; G209-V213 WeakPolarHBondContact O-CB 3.44Å; G209-V213 VanDerWaalsContact O-CG2 3.28Å; G209-V213 WeakPolarHBondContact O-CG2 3.37Å; G209-V213 PolarHBondContact O-N 2.89Å; V210-V213 PolarHBondContact O-N 3.49Å; Y211-V213 PolarHBondContact O-N 2.85Å; V213-A217 PolarHBondContact O-N 2.98Å; V213-A217 VanDerWaalsContact O-N 3.11Å
214	A	98.8	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-41	176.3	0	0	0	0	0	112.6	K182 W183 V210 Y211 W212 A217 T218	K182-A214 HydrophobicContact CB-CB 3.84Å; W183-A214 HydrophobicContact CD2-CB 3.6Å; W183-A214 HydrophobicContact CE3-CB 3.72Å; W183-A214 HydrophobicContact CG-CB 4.08Å; W183-A214 HydrophobicContact CH2-CB 4.12Å; W183-A214 HydrophobicContact CZ2-CB 4.04Å; W183-A214 HydrophobicContact CZ3-CB 3.97Å; V210-A214 PolarHBondContact O-N 2.75Å; Y211-A214 PolarHBondContact O-N 3.31Å; W212-A214 VanDerWaalsContact C-N 3.33Å; W212-A214 PolarHBondContact O-N 3.38Å; A214-A217 PolarHBondContact O-N 2.92Å; A214-T218 WeakPolarHBondContact O-CB 3.25Å; A214-T218 PolarHBondContact O-N 3.41Å; A214-T218 PolarHBondContact O-OG1 3.15Å
215	Q	98.3	Very high	97.3	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.2	-79.8	-60.2	-7.3	0	0	113.5	W183 Y211 W212 T218 T219	W183-Q215 HydrophobicContact CH2-CG 3.78Å; W183-Q215 VanDerWaalsContact CZ2-CD 3.42Å; W183-Q215 HydrophobicContact CZ2-CG 3.88Å; Y211-Q215 HydrophobicContact CD1-CG 4.41Å; Y211-Q215 HydrophobicContact CE1-CG 3.91Å; Y211-Q215 HydrophobicContact CE2-CG 4.14Å; Y211-Q215 PolarHBondContact O-N 3.02Å; W212-Q215 HydrophobicContact CE3-CB 4.04Å; W212-Q215 HydrophobicContact CZ3-CB 4.38Å; W212-Q215 PolarHBondContact O-N 3.02Å; Q215-T218 WeakPolarHBondContact O-CB 3.27Å; Q215-T218 PolarHBondContact O-N 2.65Å; Q215-T219 PolarHBondContact O-N 2.8Å; Q215-T219 PolarHBondContact O-OG1 2.92Å
216	M	98.1	Very high	97.3	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-41.8	177.8	-71	-53.1	-55.5	0	0	111.4	W212 T218 T219 Y220 A247 E248 A251	W212-M216 WeakPolarHBondContact O-CB 3.32Å; W212-M216 VanDerWaalsContact O-CG 3.29Å; W212-M216 WeakPolarHBondContact O-CG 3.41Å; W212-M216 PolarHBondContact O-N 2.72Å; M216-T218 VanDerWaalsContact C-N 3.27Å; M216-T218 PolarHBondContact O-N 3.1Å; M216-T219 WeakPolarHBondContact O-CB 3.12Å; M216-T219 PolarHBondContact O-N 2.93Å; M216-T219 VanDerWaalsContact O-N 3.13Å; M216-Y220 HydrophobicContact CB-CE2 4.35Å; M216-Y220 HydrophobicContact CE-CE1 3.99Å; M216-Y220 VanDerWaalsContact O-CD2 3.24Å; M216-Y220 WeakPolarHBondContact O-CD2 3.46Å; M216-Y220 VanDerWaalsContact O-CG 3.31Å; M216-Y220 PolarHBondContact O-N 3.44Å; M216-A247 HydrophobicContact CE-CB 4.43Å; M216-A247 HydrophobicContact SD-CB 3.84Å; M216-E248 HydrophobicContact CE-CG 4.01Å; M216-E248 VanDerWaalsContact CE-OE1 3.31Å; M216-E248 WeakPolarHBondContact CE-OE1 3.33Å; M216-A251 HydrophobicContact CG-CB 3.53Å; M216-A251 HydrophobicContact SD-CB 3.76Å
217	A	98.4	Very high	97.2	Very high	6 Å²	6	32 Å²	32	5%	0.05	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-37.8	173.4	0	0	0	0	0	112.5	A179 K182 V213 A214 Y220 A221	A179-A217 HydrophobicContact CB-CB 4.18Å; K182-A217 HydrophobicContact CD-CB 3.34Å; V213-A217 PolarHBondContact O-N 2.98Å; V213-A217 VanDerWaalsContact O-N 3.11Å; A214-A217 PolarHBondContact O-N 2.92Å; A217-Y220 PolarHBondContact O-N 3.14Å; A217-A221 WeakPolarHBondContact O-CB 3.42Å; A217-A221 PolarHBondContact O-N 3.25Å
218	T	98.1	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-41.9	173.5	-58.2	0	0	0	0	111.8	F133 T134 L137 W183 A214 Q215 M216 Y220 A221 S222	F133-T218 HydrophobicContact CB-CG2 3.78Å; F133-T218 WeakPolarHBondContact O-CG2 3.37Å; T134-T218 HydrophobicContact CG2-CG2 3.86Å; L137-T218 HydrophobicContact CD1-CG2 4.08Å; W183-T218 PolarHBondContact NE1-OG1 2.03Å; A214-T218 WeakPolarHBondContact O-CB 3.25Å; A214-T218 PolarHBondContact O-N 3.41Å; A214-T218 PolarHBondContact O-OG1 3.15Å; Q215-T218 WeakPolarHBondContact O-CB 3.27Å; Q215-T218 PolarHBondContact O-N 2.65Å; M216-T218 VanDerWaalsContact C-N 3.27Å; M216-T218 PolarHBondContact O-N 3.1Å; T218-Y220 VanDerWaalsContact C-N 3.31Å; T218-Y220 PolarHBondContact O-N 3.36Å; T218-A221 WeakPolarHBondContact O-CB 3.4Å; T218-A221 PolarHBondContact O-N 2.95Å; T218-S222 PolarHBondContact O-N 3.31Å; T218-S222 PolarHBondContact O-OG 2.65Å
219	T	96.2	Very high	97.1	Very high	24 Å²	24	34.1 Å²	34.1	15%	0.147	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-38.8	176.6	-60.1	0	0	0	0	111.8	M130 Q215 M216 S222 L244	M130-T219 HydrophobicContact CE-CG2 4.45Å; Q215-T219 PolarHBondContact O-N 2.8Å; Q215-T219 PolarHBondContact O-OG1 2.92Å; M216-T219 WeakPolarHBondContact O-CB 3.12Å; M216-T219 PolarHBondContact O-N 2.93Å; M216-T219 VanDerWaalsContact O-N 3.13Å; T219-S222 WeakPolarHBondContact CA-OG 3.27Å; T219-S222 PolarHBondContact O-N 3.43Å; T219-S222 PolarHBondContact O-OG 2.87Å; T219-L244 HydrophobicContact CG2-CD2 3.57Å
220	Y	95.9	Very high	97.1	Very high	119 Å²	119	37.9 Å²	37.9	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-70.6	-38.3	174	-56	-37.3	0	0	0	112.2	M216 A217 T218 S222 S223 E248	M216-Y220 HydrophobicContact CB-CE2 4.35Å; M216-Y220 HydrophobicContact CE-CE1 3.99Å; M216-Y220 VanDerWaalsContact O-CD2 3.24Å; M216-Y220 WeakPolarHBondContact O-CD2 3.46Å; M216-Y220 VanDerWaalsContact O-CG 3.31Å; M216-Y220 PolarHBondContact O-N 3.44Å; A217-Y220 PolarHBondContact O-N 3.14Å; T218-Y220 VanDerWaalsContact C-N 3.31Å; T218-Y220 PolarHBondContact O-N 3.36Å; Y220-S222 VanDerWaalsContact C-N 3.26Å; Y220-S222 PolarHBondContact O-N 3.46Å; Y220-S223 WeakPolarHBondContact O-CB 3.45Å; Y220-S223 PolarHBondContact O-N 3.16Å; Y220-S223 VanDerWaalsContact O-N 3.1Å; Y220-S223 PolarHBondContact O-OG 2.65Å; Y220-E248 PolarHBondContact OH-OE1 3.29Å
221	A	95.4	Very high	97	Very high	17 Å²	17	39.3 Å²	39.3	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-34.2	175.4	0	0	0	0	0	112.2	H176 A179 A217 T218 S223	H176-A221 HydrophobicContact CB-CB 4.37Å; A179-A221 HydrophobicContact CB-CB 4.38Å; A217-A221 WeakPolarHBondContact O-CB 3.42Å; A217-A221 PolarHBondContact O-N 3.25Å; T218-A221 WeakPolarHBondContact O-CB 3.4Å; T218-A221 PolarHBondContact O-N 2.95Å; A221-S223 PolarHBondContact O-N 3.39Å
222	S	95.8	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-76.2	3.5	175.8	54.4	0	0	0	0	114.8	M130 T218 T219 Y220 T224 C225	M130-S222 WeakPolarHBondContact CE-OG 3.23Å; M130-S222 VanDerWaalsContact SD-CB 3.53Å; M130-S222 PolarHBondContact SD-OG 3.32Å; T218-S222 PolarHBondContact O-N 3.31Å; T218-S222 PolarHBondContact O-OG 2.65Å; T219-S222 WeakPolarHBondContact CA-OG 3.27Å; T219-S222 PolarHBondContact O-N 3.43Å; T219-S222 PolarHBondContact O-OG 2.87Å; Y220-S222 VanDerWaalsContact C-N 3.26Å; Y220-S222 PolarHBondContact O-N 3.46Å; S222-T224 PolarHBondContact O-N 2.92Å; S222-T224 VanDerWaalsContact O-N 3.11Å; S222-C225 WeakPolarHBondContact O-CB 3.49Å; S222-C225 PolarHBondContact O-N 2.89Å; S222-C225 PolarHBondContact O-SG 2.92Å; S222-C225 VanDerWaalsContact O-SG 3.37Å
223	S	94.8	Very high	97	Very high	66 Å²	66	40.1 Å²	40.1	46%	0.462	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-58.9	-23.3	177.2	59.7	0	0	0	0	113.6	Y220 A221 C225 N226	Y220-S223 WeakPolarHBondContact O-CB 3.45Å; Y220-S223 PolarHBondContact O-N 3.16Å; Y220-S223 VanDerWaalsContact O-N 3.1Å; Y220-S223 PolarHBondContact O-OG 2.65Å; A221-S223 PolarHBondContact O-N 3.39Å; S223-C225 PolarHBondContact O-N 3.48Å; S223-N226 VanDerWaalsContact O-CB 3.25Å; S223-N226 WeakPolarHBondContact O-CB 3.46Å; S223-N226 PolarHBondContact O-N 3.22Å; S223-N226 PolarHBondContact O-ND2 2.9Å; S223-N226 VanDerWaalsContact O-ND2 3.1Å
224	T	93	Very high	97	Very high	82 Å²	82	40 Å²	40	50%	0.503	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.7	171.2	58.3	0	0	0	0	112.5	S222 N226	S222-T224 PolarHBondContact O-N 2.92Å; S222-T224 VanDerWaalsContact O-N 3.11Å; T224-N226 PolarHBondContact O-N 3.43Å
225	C	96.8	Very high	96.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.7	-17	176.4	-59.5	0	0	0	0	113.5	F126 C129 M130 S222 S223 V227 K228	F126-C225 HydrophobicContact CD2-CB 4.07Å; F126-C225 WeakPolarHBondContact CD2-O 3.28Å; F126-C225 HydrophobicContact CE2-CB 4.23Å; C129-C225 HydrophobicContact CB-CB 3.68Å; C129-C225 WeakPolarHBondContact CB-SG 3.36Å; C129-C225 VanDerWaalsContact SG-CA 3.52Å; C129-C225 WeakPolarHBondContact SG-CB 3.31Å; C129-C225 CovalentContact SG-SG 2.03Å; C129-C225 PolarHBondContact SG-SG 3.02Å; M130-C225 HydrophobicContact CG-CB 4.2Å; M130-C225 PolarHBondContact N-SG 3.07Å; M130-C225 VanDerWaalsContact N-SG 3.38Å; S222-C225 WeakPolarHBondContact O-CB 3.49Å; S222-C225 PolarHBondContact O-N 2.89Å; S222-C225 PolarHBondContact O-SG 2.92Å; S222-C225 VanDerWaalsContact O-SG 3.37Å; S223-C225 PolarHBondContact O-N 3.48Å; C225-V227 PolarHBondContact O-N 3.38Å; C225-V227 VanDerWaalsContact O-N 3.07Å; C225-K228 WeakPolarHBondContact O-CB 3.37Å; C225-K228 PolarHBondContact O-N 3.37Å
226	N	96.7	Very high	97	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.4	-29	-174.2	-77.9	-35.8	0	0	0	113.2	S223 T224 K228 K229	S223-N226 VanDerWaalsContact O-CB 3.25Å; S223-N226 WeakPolarHBondContact O-CB 3.46Å; S223-N226 PolarHBondContact O-N 3.22Å; S223-N226 PolarHBondContact O-ND2 2.9Å; S223-N226 VanDerWaalsContact O-ND2 3.1Å; T224-N226 PolarHBondContact O-N 3.43Å; N226-K228 PolarHBondContact O-N 3.11Å; N226-K229 VanDerWaalsContact O-CB 3.25Å; N226-K229 WeakPolarHBondContact O-CB 3.29Å; N226-K229 WeakPolarHBondContact O-CG 3.35Å; N226-K229 PolarHBondContact O-N 3.25Å; N226-K229 VanDerWaalsContact O-N 3.08Å; N226-K229 VanDerWaalsContact OD1-CE 3.29Å; N226-K229 WeakPolarHBondContact OD1-CE 3.37Å; N226-K229 PolarHBondContact OD1-NZ 2.98Å
227	V	96.2	Very high	96.9	Very high	110 Å²	110	44.8 Å²	44.8	67%	0.667	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.2	-29.4	176.2	-58.4	0	0	0	0	112.6	C225 K229 S230	C225-V227 PolarHBondContact O-N 3.38Å; C225-V227 VanDerWaalsContact O-N 3.07Å; V227-K229 VanDerWaalsContact C-N 3.27Å; V227-K229 PolarHBondContact O-N 3.1Å; V227-S230 WeakPolarHBondContact O-CB 3.33Å; V227-S230 PolarHBondContact O-N 2.78Å; V227-S230 PolarHBondContact O-OG 3.21Å
228	K	97.2	Very high	96.9	Very high	29 Å²	29	46.9 Å²	46.9	13%	0.126	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-75.7	-12.8	-179.8	-61	178.9	179	-73.2	0	113.2	P123 E124 F126 C129 C225 N226 S230 H231 Y232	P123-K228 VanDerWaalsContact O-CD 3.25Å; P123-K228 WeakPolarHBondContact O-CD 3.38Å; P123-K228 WeakPolarHBondContact O-CE 3.25Å; P123-K228 PolarHBondContact O-NZ 3.34Å; E124-K228 IonicContact OE1-NZ 3.75Å; E124-K228 PolarHBondContact OE1-NZ 3.1Å; E124-K228 IonicContact OE2-NZ 3.93Å; F126-K228 HydrophobicContact CB-CB 4.14Å; C129-K228 HydrophobicContact CB-CD 3.83Å; C225-K228 WeakPolarHBondContact O-CB 3.37Å; C225-K228 PolarHBondContact O-N 3.37Å; N226-K228 PolarHBondContact O-N 3.11Å; K228-S230 PolarHBondContact O-N 3.18Å; K228-H231 PolarHBondContact O-N 3.16Å; K228-Y232 WeakPolarHBondContact O-CD2 3.5Å; K228-Y232 WeakPolarHBondContact O-CE2 3.14Å
229	K	97.4	Very high	96.9	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.065	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61	-25.1	172.1	-71.6	-178.6	176.8	168.5	0	112.3	F126 N226 V227 H231 Y232 Q237 D241	F126-K229 HydrophobicContact CB-CG 4.27Å; F126-K229 HydrophobicContact CD1-CG 4.25Å; F126-K229 HydrophobicContact CD2-CD 4.31Å; F126-K229 HydrophobicContact CD2-CG 3.59Å; F126-K229 HydrophobicContact CE2-CD 4.21Å; F126-K229 HydrophobicContact CE2-CG 3.99Å; F126-K229 HydrophobicContact CG-CG 3.73Å; F126-K229 HydrophobicContact CZ-CD 4.48Å; F126-K229 HydrophobicContact CZ-CG 4.47Å; N226-K229 VanDerWaalsContact O-CB 3.25Å; N226-K229 WeakPolarHBondContact O-CB 3.29Å; N226-K229 WeakPolarHBondContact O-CG 3.35Å; N226-K229 PolarHBondContact O-N 3.25Å; N226-K229 VanDerWaalsContact O-N 3.08Å; N226-K229 VanDerWaalsContact OD1-CE 3.29Å; N226-K229 WeakPolarHBondContact OD1-CE 3.37Å; N226-K229 PolarHBondContact OD1-NZ 2.98Å; V227-K229 VanDerWaalsContact C-N 3.27Å; V227-K229 PolarHBondContact O-N 3.1Å; K229-H231 PolarHBondContact O-N 3.18Å; K229-H231 VanDerWaalsContact O-N 3.11Å; K229-Y232 PolarHBondContact O-N 3.08Å; K229-Q237 HydrophobicContact CB-CG 4.07Å; K229-Q237 VanDerWaalsContact O-CD 3.26Å; K229-Q237 VanDerWaalsContact O-CG 3.26Å; K229-Q237 WeakPolarHBondContact O-CG 3.19Å; K229-Q237 PolarHBondContact O-NE2 3.5Å; K229-D241 IonicContact NZ-OD1 3.25Å; K229-D241 PolarHBondContact NZ-OD1 3.37Å
230	S	97.4	Very high	96.9	Very high	88 Å²	88	46.2 Å²	46.2	62%	0.615	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-59.8	-19.9	177.9	60.4	0	0	0	0	114.3	V227 K228 Y232	V227-S230 WeakPolarHBondContact O-CB 3.33Å; V227-S230 PolarHBondContact O-N 2.78Å; V227-S230 PolarHBondContact O-OG 3.21Å; K228-S230 PolarHBondContact O-N 3.18Å; S230-Y232 VanDerWaalsContact C-N 3.26Å; S230-Y232 PolarHBondContact O-N 2.94Å
231	H	97.7	Very high	96.9	Very high	70 Å²	70	43.1 Å²	43.1	32%	0.324	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-78.2	-5.5	175.1	-61.3	-49.7	0	0	0	114	P105 E124 K228 K229	P105-H231 HydrophobicContact CB-CB 3.82Å; P105-H231 HydrophobicContact CG-CB 3.62Å; E124-H231 PolarHBondContact O-CD2 3.47Å; E124-H231 IonicContact OE2-CD2 3.79Å; E124-H231 IonicContact OE2-CE1 3.86Å; E124-H231 IonicContact OE2-NE2 3.75Å; E124-H231 PolarHBondContact OE2-NE2 2.58Å; K228-H231 PolarHBondContact O-N 3.16Å; K229-H231 PolarHBondContact O-N 3.18Å; K229-H231 VanDerWaalsContact O-N 3.11Å
232	Y	98.3	Very high	96.9	Very high	21 Å²	21	42.5 Å²	42.5	8%	0.082	25%	0.253	C	S	.	.	S	Bend	trans	-113.7	160.8	-174.2	-60.2	-92.7	0	0	0	112.1	P105 S125 F126 K228 K229 S230 E236 Q237 I273	P105-Y232 HydrophobicContact CB-CD1 4.41Å; P105-Y232 HydrophobicContact CB-CE1 3.86Å; P105-Y232 HydrophobicContact CB-CE2 4.1Å; P105-Y232 HydrophobicContact CG-CE1 4.43Å; P105-Y232 HydrophobicContact CG-CE2 3.94Å; S125-Y232 WeakPolarHBondContact CA-OH 3.37Å; S125-Y232 PolarHBondContact OG-OH 2.98Å; F126-Y232 HydrophobicContact CB-CD2 4.37Å; F126-Y232 HydrophobicContact CB-CE2 3.63Å; F126-Y232 PolarHBondContact N-OH 2.87Å; K228-Y232 WeakPolarHBondContact O-CD2 3.5Å; K228-Y232 WeakPolarHBondContact O-CE2 3.14Å; K229-Y232 PolarHBondContact O-N 3.08Å; S230-Y232 VanDerWaalsContact C-N 3.26Å; S230-Y232 PolarHBondContact O-N 2.94Å; Y232-E236 HydrophobicContact CD1-CG 3.75Å; Y232-E236 HydrophobicContact CG-CG 4.09Å; Y232-Q237 PolarHBondContact O-NE2 2.78Å; Y232-I273 HydrophobicContact CD1-CG2 4.13Å; Y232-I273 HydrophobicContact CE1-CD1 4.35Å
233	S	98.1	Very high	96.8	Very high	31 Å²	31	44.3 Å²	44.3	22%	0.217	26%	0.26	C	S	.	.			trans	-65.9	159.2	174	86.3	0	0	0	0	111.4	E235 E236 Q237 L274	S233-E235 WeakPolarHBondContact CB-OE2 3.36Å; S233-E235 PolarHBondContact O-N 2.8Å; S233-E235 PolarHBondContact OG-N 3.13Å; S233-E235 PolarHBondContact OG-OE2 3.43Å; S233-E236 PolarHBondContact O-N 2.83Å; S233-E236 VanDerWaalsContact O-N 3.14Å; S233-Q237 VanDerWaalsContact O-CG 3.32Å; S233-Q237 WeakPolarHBondContact O-CG 3.31Å; S233-Q237 PolarHBondContact O-N 3.26Å; S233-L274 PolarHBondContact OG-O 2.67Å
234	A	98	Very high	96.7	Very high	72 Å²	72	42.7 Å²	42.7	60%	0.595	25%	0.246	S	C	*	.	H	α-helix	trans	-57.6	-32.7	179.9	0	0	0	0	0	112.7	S238	A234-S238 WeakPolarHBondContact O-CB 3.46Å; A234-S238 PolarHBondContact O-N 2.89Å
235	E	98	Very high	96.6	Very high	54 Å²	54	41.9 Å²	41.9	25%	0.252	24%	0.239	S	C	.	.	H	α-helix	trans	-64.6	-48	176.7	-60.2	80.4	179.9	0	0	111.6	S233 S238 F239 L274 R275 A276 G277 D278	S233-E235 WeakPolarHBondContact CB-OE2 3.36Å; S233-E235 PolarHBondContact O-N 2.8Å; S233-E235 PolarHBondContact OG-N 3.13Å; S233-E235 PolarHBondContact OG-OE2 3.43Å; E235-S238 PolarHBondContact O-N 2.98Å; E235-F239 WeakPolarHBondContact O-CB 3.42Å; E235-F239 PolarHBondContact O-N 2.86Å; E235-L274 HydrophobicContact CB-CB 3.99Å; E235-L274 HydrophobicContact CB-CD1 4.48Å; E235-R275 VanDerWaalsContact CD-O 3.27Å; E235-R275 WeakPolarHBondContact CG-O 3.37Å; E235-A276 WeakPolarHBondContact OE1-CA 3.47Å; E235-A276 WeakPolarHBondContact OE2-CA 3.34Å; E235-G277 PolarHBondContact OE1-N 3.4Å; E235-D278 HydrophobicContact CG-CB 4.44Å; E235-D278 WeakPolarHBondContact CG-O 3.24Å
236	E	98.5	Very high	96.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-36.3	177.1	-179	70.3	-171.3	0	0	111.5	R101 W127 Y232 S233 F239 A240 I273 L274	R101-E236 IonicContact CZ-OE1 2.7Å; R101-E236 IonicContact CZ-OE2 3.5Å; R101-E236 IonicContact NE-OE1 3.77Å; R101-E236 PolarHBondContact NE-OE1 3.39Å; R101-E236 IonicContact NE-OE2 2.83Å; R101-E236 IonicContact NH2-OE1 2.63Å; R101-E236 PolarHBondContact NH2-OE1 3.42Å; R101-E236 IonicContact NH2-OE2 3.33Å; R101-E236 PolarHBondContact NH2-OE2 3.35Å; W127-E236 WeakPolarHBondContact CZ2-OE1 3.28Å; W127-E236 PolarHBondContact NE1-OE1 2.78Å; Y232-E236 HydrophobicContact CD1-CG 3.75Å; Y232-E236 HydrophobicContact CG-CG 4.09Å; S233-E236 PolarHBondContact O-N 2.83Å; S233-E236 VanDerWaalsContact O-N 3.14Å; E236-F239 PolarHBondContact O-N 3.16Å; E236-A240 WeakPolarHBondContact O-CB 3.46Å; E236-A240 PolarHBondContact O-N 3.48Å; E236-I273 HydrophobicContact CB-CG2 4.3Å; E236-I273 HydrophobicContact CG-CG2 3.96Å; E236-L274 HydrophobicContact CB-CB 4.08Å; E236-L274 PolarHBondContact OE2-N 3.38Å
237	Q	97.9	Very high	96.1	Very high	67 Å²	67	40.4 Å²	40.4	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-46	173.3	-65.8	-176.9	46.3	0	0	111.3	K229 Y232 S233 F239 A240 D241	K229-Q237 HydrophobicContact CB-CG 4.07Å; K229-Q237 VanDerWaalsContact O-CD 3.26Å; K229-Q237 VanDerWaalsContact O-CG 3.26Å; K229-Q237 WeakPolarHBondContact O-CG 3.19Å; K229-Q237 PolarHBondContact O-NE2 3.5Å; Y232-Q237 PolarHBondContact O-NE2 2.78Å; S233-Q237 VanDerWaalsContact O-CG 3.32Å; S233-Q237 WeakPolarHBondContact O-CG 3.31Å; S233-Q237 PolarHBondContact O-N 3.26Å; Q237-F239 VanDerWaalsContact C-N 3.33Å; Q237-F239 PolarHBondContact O-N 3.45Å; Q237-A240 WeakPolarHBondContact O-CB 3.1Å; Q237-A240 PolarHBondContact O-N 3.37Å; Q237-D241 PolarHBondContact O-N 3.22Å
238	S	97.1	Very high	96	Very high	50 Å²	50	36.8 Å²	36.8	35%	0.35	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-39	177.4	-173.3	0	0	0	0	112.2	A234 E235 D241 S242	A234-S238 WeakPolarHBondContact O-CB 3.46Å; A234-S238 PolarHBondContact O-N 2.89Å; E235-S238 PolarHBondContact O-N 2.98Å; S238-D241 PolarHBondContact O-N 2.67Å; S238-S242 WeakPolarHBondContact O-CB 3.2Å; S238-S242 PolarHBondContact O-N 3.17Å; S238-S242 PolarHBondContact O-OG 3.31Å
239	F	97.7	Very high	95.9	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-45.7	172.9	170.9	-116.4	0	0	0	111.7	W95 W127 E235 E236 Q237 D241 S242 W243 L269 P270 L274 L294 F297	W95-F239 AromaticContact CH2-CE1 3.84Å; W95-F239 HydrophobicContact CH2-CE1 3.84Å; W95-F239 HydrophobicContact CH2-CZ 4.1Å; W95-F239 AromaticContact CZ2-CE1 3.96Å; W95-F239 HydrophobicContact CZ2-CE1 3.96Å; W95-F239 HydrophobicContact CZ2-CZ 4.06Å; W127-F239 HydrophobicContact CH2-CD1 4.19Å; W127-F239 AromaticContact CH2-CE1 3.74Å; W127-F239 HydrophobicContact CH2-CE1 3.74Å; W127-F239 HydrophobicContact CH2-CZ 4.44Å; W127-F239 AromaticContact CZ2-CD1 3.85Å; W127-F239 HydrophobicContact CZ2-CD1 3.85Å; W127-F239 AromaticContact CZ2-CE1 3.71Å; W127-F239 HydrophobicContact CZ2-CE1 3.71Å; E235-F239 WeakPolarHBondContact O-CB 3.42Å; E235-F239 PolarHBondContact O-N 2.86Å; E236-F239 PolarHBondContact O-N 3.16Å; Q237-F239 VanDerWaalsContact C-N 3.33Å; Q237-F239 PolarHBondContact O-N 3.45Å; F239-D241 VanDerWaalsContact C-N 3.32Å; F239-D241 PolarHBondContact O-N 3.14Å; F239-S242 PolarHBondContact O-N 3.02Å; F239-S242 VanDerWaalsContact O-N 3.12Å; F239-W243 HydrophobicContact CZ-CE3 4.27Å; F239-W243 WeakPolarHBondContact O-CB 3.29Å; F239-W243 PolarHBondContact O-N 2.71Å; F239-L269 HydrophobicContact CZ-CD2 4.49Å; F239-P270 HydrophobicContact CD1-CG 4.31Å; F239-P270 HydrophobicContact CE1-CG 3.74Å; F239-P270 HydrophobicContact CE2-CG 4.16Å; F239-P270 HydrophobicContact CZ-CG 3.67Å; F239-L274 HydrophobicContact CB-CD1 3.68Å; F239-L274 HydrophobicContact CG-CD1 4.14Å; F239-L294 HydrophobicContact CD2-CD2 3.56Å; F239-L294 HydrophobicContact CE2-CD2 3.92Å; F239-L294 HydrophobicContact CG-CD2 4.15Å; F239-F297 HydrophobicContact CE2-CD2 4.48Å
240	A	97	Very high	95.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-40.6	176.7	0	0	0	0	0	112.6	F126 W127 E236 Q237 W243 L244	F126-A240 HydrophobicContact CD1-CB 4.05Å; F126-A240 HydrophobicContact CE1-CB 3.56Å; F126-A240 HydrophobicContact CZ-CB 4.28Å; W127-A240 HydrophobicContact CZ2-CB 4.07Å; E236-A240 WeakPolarHBondContact O-CB 3.46Å; E236-A240 PolarHBondContact O-N 3.48Å; Q237-A240 WeakPolarHBondContact O-CB 3.1Å; Q237-A240 PolarHBondContact O-N 3.37Å; A240-W243 WeakPolarHBondContact O-CB 3.43Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 2.95Å; A240-L244 PolarHBondContact O-N 3.35Å; A240-L244 VanDerWaalsContact O-N 3.07Å
241	D	95.4	Very high	95.8	Very high	54 Å²	54	32.4 Å²	32.4	29%	0.289	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-45.7	172.5	-69.5	-15.1	0	0	0	112	K229 Q237 S238 F239 W243 L244 D245 K301	K229-D241 IonicContact NZ-OD1 3.25Å; K229-D241 PolarHBondContact NZ-OD1 3.37Å; Q237-D241 PolarHBondContact O-N 3.22Å; S238-D241 PolarHBondContact O-N 2.67Å; F239-D241 VanDerWaalsContact C-N 3.32Å; F239-D241 PolarHBondContact O-N 3.14Å; D241-W243 VanDerWaalsContact C-N 3.25Å; D241-W243 PolarHBondContact O-N 3.14Å; D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 3.36Å; D241-D245 WeakPolarHBondContact O-CB 3.18Å; D241-D245 PolarHBondContact O-N 3.2Å; D241-K301 HydrophobicContact CB-CD 4.41Å; D241-K301 IonicContact OD2-NZ 3.03Å; D241-K301 PolarHBondContact OD2-NZ 2.71Å
242	S	95.1	Very high	95.7	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-37.2	179.4	-53.1	0	0	0	0	111.2	S238 F239 D245 S246 K301	S238-S242 WeakPolarHBondContact O-CB 3.2Å; S238-S242 PolarHBondContact O-N 3.17Å; S238-S242 PolarHBondContact O-OG 3.31Å; F239-S242 PolarHBondContact O-N 3.02Å; F239-S242 VanDerWaalsContact O-N 3.12Å; S242-D245 PolarHBondContact O-N 3.31Å; S242-S246 WeakPolarHBondContact O-CB 3.35Å; S242-S246 PolarHBondContact O-N 3.25Å; S242-K301 WeakPolarHBondContact OG-CD 3.46Å
243	W	93.6	Very high	95.6	Very high	38 Å²	38	28.8 Å²	28.8	14%	0.144	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-52.4	173	176.1	-88	0	0	0	111.4	Q92 W127 F239 A240 D241 D245 S246 A247 L266 L269 F297	Q92-W243 HydrophobicContact CG-CZ2 3.96Å; Q92-W243 VanDerWaalsContact NE2-CZ2 3.31Å; W127-W243 HydrophobicContact CH2-CB 4.17Å; W127-W243 HydrophobicContact CH2-CD2 4.39Å; W127-W243 AromaticContact CH2-CG 3.97Å; W127-W243 HydrophobicContact CH2-CG 3.97Å; W127-W243 AromaticContact CZ3-CD1 3.9Å; W127-W243 HydrophobicContact CZ3-CD2 4.32Å; W127-W243 HydrophobicContact CZ3-CG 4.03Å; F239-W243 HydrophobicContact CZ-CE3 4.27Å; F239-W243 WeakPolarHBondContact O-CB 3.29Å; F239-W243 PolarHBondContact O-N 2.71Å; A240-W243 WeakPolarHBondContact O-CB 3.43Å; D241-W243 VanDerWaalsContact C-N 3.25Å; D241-W243 PolarHBondContact O-N 3.14Å; W243-D245 PolarHBondContact O-N 3.38Å; W243-S246 PolarHBondContact O-N 3.19Å; W243-S246 PolarHBondContact O-OG 3.22Å; W243-A247 PolarHBondContact O-N 3.36Å; W243-L266 HydrophobicContact CH2-CD2 3.81Å; W243-L269 HydrophobicContact CE3-CD1 4.28Å; W243-L269 HydrophobicContact CE3-CD2 4.28Å; W243-L269 HydrophobicContact CH2-CD1 3.68Å; W243-L269 HydrophobicContact CZ3-CD1 3.3Å; W243-L269 HydrophobicContact CZ3-CD2 3.72Å; W243-L269 HydrophobicContact CZ3-CG 4.14Å; W243-F297 HydrophobicContact CE3-CE1 4.04Å; W243-F297 AromaticContact CE3-CZ 3.86Å; W243-F297 HydrophobicContact CE3-CZ 3.86Å; W243-F297 HydrophobicContact CZ3-CZ 4.06Å
244	L	92.8	Very high	95.6	Very high	31 Å²	31	29 Å²	29	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-46.6	176.9	-74.1	172.4	0	0	0	112.2	F126 M130 T219 A240 D241 S246 A247	F126-L244 HydrophobicContact CZ-CD1 4.1Å; M130-L244 HydrophobicContact CE-CD2 3.28Å; M130-L244 HydrophobicContact CE-CG 4.49Å; M130-L244 HydrophobicContact SD-CD2 3.96Å; T219-L244 HydrophobicContact CG2-CD2 3.57Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 2.95Å; A240-L244 PolarHBondContact O-N 3.35Å; A240-L244 VanDerWaalsContact O-N 3.07Å; D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 3.36Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.93Å; L244-A247 VanDerWaalsContact O-CB 3.28Å; L244-A247 WeakPolarHBondContact O-CB 3.41Å; L244-A247 PolarHBondContact O-N 3.23Å
245	D	91.1	Very high	95.5	Very high	66 Å²	66	26 Å²	26	35%	0.353	14%	0.142	S	C	.	.	H	α-helix	trans	-64.8	-35.3	-179.3	-71.9	-15.4	0	0	0	111.9	D241 S242 W243 A247 E248	D241-D245 WeakPolarHBondContact O-CB 3.18Å; D241-D245 PolarHBondContact O-N 3.2Å; S242-D245 PolarHBondContact O-N 3.31Å; W243-D245 PolarHBondContact O-N 3.38Å; D245-A247 PolarHBondContact O-N 3.08Å; D245-E248 WeakPolarHBondContact O-CB 3.38Å; D245-E248 PolarHBondContact O-N 2.99Å
246	S	91.9	Very high	95.4	Very high	19 Å²	19	23.5 Å²	23.5	13%	0.133	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-28	178.1	79.9	0	0	0	0	113	S242 W243 L244 E248 Y249 V250 F297	S242-S246 WeakPolarHBondContact O-CB 3.35Å; S242-S246 PolarHBondContact O-N 3.25Å; W243-S246 PolarHBondContact O-N 3.19Å; W243-S246 PolarHBondContact O-OG 3.22Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.93Å; S246-E248 PolarHBondContact O-N 3.2Å; S246-Y249 WeakPolarHBondContact O-CB 3.49Å; S246-Y249 PolarHBondContact O-N 3.1Å; S246-V250 PolarHBondContact O-N 2.73Å; S246-F297 VanDerWaalsContact OG-CE1 3.32Å; S246-F297 WeakPolarHBondContact OG-CE1 3.32Å
247	A	92.8	Very high	95.3	Very high	18 Å²	18	23.7 Å²	23.7	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-30.4	-179.5	0	0	0	0	0	111.4	M216 W243 L244 D245 Y249 V250 A251	M216-A247 HydrophobicContact CE-CB 4.43Å; M216-A247 HydrophobicContact SD-CB 3.84Å; W243-A247 PolarHBondContact O-N 3.36Å; L244-A247 VanDerWaalsContact O-CB 3.28Å; L244-A247 WeakPolarHBondContact O-CB 3.41Å; L244-A247 PolarHBondContact O-N 3.23Å; D245-A247 PolarHBondContact O-N 3.08Å; A247-Y249 VanDerWaalsContact C-N 3.28Å; A247-Y249 PolarHBondContact O-N 3.25Å; A247-V250 PolarHBondContact O-N 3.34Å; A247-A251 WeakPolarHBondContact O-CB 3.37Å; A247-A251 PolarHBondContact O-N 3.49Å
248	E	93.9	Very high	95.2	Very high	34 Å²	34	20.7 Å²	20.7	16%	0.159	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-35.7	175.3	-63.6	-72.3	-176.9	0	0	113	M216 Y220 D245 S246 A252 V312 K316	M216-E248 HydrophobicContact CE-CG 4.01Å; M216-E248 VanDerWaalsContact CE-OE1 3.31Å; M216-E248 WeakPolarHBondContact CE-OE1 3.33Å; Y220-E248 PolarHBondContact OH-OE1 3.29Å; D245-E248 WeakPolarHBondContact O-CB 3.38Å; D245-E248 PolarHBondContact O-N 2.99Å; S246-E248 PolarHBondContact O-N 3.2Å; E248-A252 VanDerWaalsContact O-CB 3.31Å; E248-A252 WeakPolarHBondContact O-CB 3.31Å; E248-A252 PolarHBondContact O-N 3.23Å; E248-A252 VanDerWaalsContact O-N 3.14Å; E248-V312 HydrophobicContact CB-CG2 3.58Å; E248-V312 HydrophobicContact CG-CG2 4.31Å; E248-K316 WeakPolarHBondContact OE2-CE 3.42Å; E248-K316 IonicContact OE2-NZ 3.42Å; E248-K316 PolarHBondContact OE2-NZ 3.25Å
249	Y	94.1	Very high	95.1	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-75.6	-46.1	-179.5	-66.2	-97.8	0	0	0	111	S246 A247 A251 A252 A253 M300 M311 V312 W315	S246-Y249 WeakPolarHBondContact O-CB 3.49Å; S246-Y249 PolarHBondContact O-N 3.1Å; A247-Y249 VanDerWaalsContact C-N 3.28Å; A247-Y249 PolarHBondContact O-N 3.25Å; Y249-A251 VanDerWaalsContact C-N 3.34Å; Y249-A252 PolarHBondContact O-N 3.3Å; Y249-A253 PolarHBondContact O-N 2.92Å; Y249-M300 HydrophobicContact CD1-CE 3.76Å; Y249-M300 HydrophobicContact CD2-CE 3.42Å; Y249-M300 VanDerWaalsContact CD2-CE 3.42Å; Y249-M300 HydrophobicContact CE1-CE 3.98Å; Y249-M300 HydrophobicContact CE2-CE 3.66Å; Y249-M300 HydrophobicContact CG-CE 3.46Å; Y249-M300 VanDerWaalsContact CG-CE 3.46Å; Y249-M311 HydrophobicContact CE1-CE 3.98Å; Y249-M311 HydrophobicContact CE1-CG 4.28Å; Y249-M311 HydrophobicContact CE1-SD 4.29Å; Y249-M311 PolarHBondContact OH-SD 3.43Å; Y249-V312 HydrophobicContact CE2-CB 4.34Å; Y249-V312 HydrophobicContact CE2-CG2 4.25Å; Y249-W315 HydrophobicContact CD1-CB 4.09Å; Y249-W315 AromaticContact CD1-CD1 3.72Å; Y249-W315 AromaticContact CD1-CD2 3.92Å; Y249-W315 HydrophobicContact CD1-CD2 3.92Å; Y249-W315 AromaticContact CD1-CG 3.64Å; Y249-W315 HydrophobicContact CD1-CG 3.64Å; Y249-W315 HydrophobicContact CE1-CB 4.11Å; Y249-W315 HydrophobicContact CE1-CG 4.17Å; Y249-W315 PolarHBondContact O-NE1 3.45Å
250	V	95.2	Very high	94.9	Very high	25 Å²	25	24.9 Å²	24.9	15%	0.152	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-42.8	178.2	179.7	0	0	0	0	110.6	W212 S246 A247 A253 H254 F255 L332	W212-V250 HydrophobicContact CH2-CB 4.36Å; W212-V250 HydrophobicContact CH2-CG1 3.43Å; W212-V250 VanDerWaalsContact CH2-CG1 3.43Å; W212-V250 HydrophobicContact CZ2-CG1 3.42Å; W212-V250 VanDerWaalsContact CZ2-CG1 3.42Å; W212-V250 HydrophobicContact CZ3-CG1 4.16Å; S246-V250 PolarHBondContact O-N 2.73Å; A247-V250 PolarHBondContact O-N 3.34Å; V250-A253 PolarHBondContact O-N 3.03Å; V250-H254 PolarHBondContact O-N 3.14Å; V250-F255 HydrophobicContact CB-CB 4.42Å; V250-F255 HydrophobicContact CG1-CB 3.33Å; V250-F255 HydrophobicContact CG1-CD1 3.94Å; V250-F255 HydrophobicContact CG1-CG 3.77Å; V250-F255 WeakPolarHBondContact O-CB 3.49Å; V250-F255 PolarHBondContact O-N 2.99Å; V250-F255 VanDerWaalsContact O-N 3.16Å; V250-L332 HydrophobicContact CG2-CD1 4.44Å
251	A	97	Very high	94.7	Very high	10 Å²	10	27.8 Å²	27.8	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-48.7	177.3	0	0	0	0	0	112	W212 M216 A247 Y249 A253 H254	W212-A251 HydrophobicContact CB-CB 3.94Å; W212-A251 HydrophobicContact CD2-CB 4.06Å; W212-A251 HydrophobicContact CE3-CB 3.77Å; W212-A251 HydrophobicContact CG-CB 4.15Å; M216-A251 HydrophobicContact CG-CB 3.53Å; M216-A251 HydrophobicContact SD-CB 3.76Å; A247-A251 WeakPolarHBondContact O-CB 3.37Å; A247-A251 PolarHBondContact O-N 3.49Å; Y249-A251 VanDerWaalsContact C-N 3.34Å; A251-A253 PolarHBondContact O-N 3.29Å; A251-H254 PolarHBondContact O-CD2 3.02Å; A251-H254 PolarHBondContact O-N 3.42Å
252	A	97	Very high	94.6	Very high	16 Å²	16	25.5 Å²	25.5	13%	0.132	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-33.1	179.6	0	0	0	0	0	112.6	E248 Y249 H254 K316 M319	E248-A252 VanDerWaalsContact O-CB 3.31Å; E248-A252 WeakPolarHBondContact O-CB 3.31Å; E248-A252 PolarHBondContact O-N 3.23Å; E248-A252 VanDerWaalsContact O-N 3.14Å; Y249-A252 PolarHBondContact O-N 3.3Å; A252-H254 PolarHBondContact O-N 3.46Å; A252-K316 HydrophobicContact CB-CG 3.83Å; A252-M319 HydrophobicContact CB-CB 4.33Å; A252-M319 HydrophobicContact CB-CG 3.95Å; A252-M319 WeakPolarHBondContact O-CB 3.25Å; A252-M319 WeakPolarHBondContact O-CG 3.47Å
253	A	96.5	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.7	178.4	0	0	0	0	0	114.1	Y249 V250 A251 F255 W315 M319 K329 L332	Y249-A253 PolarHBondContact O-N 2.92Å; V250-A253 PolarHBondContact O-N 3.03Å; A251-A253 PolarHBondContact O-N 3.29Å; A253-F255 PolarHBondContact O-N 3.16Å; A253-W315 HydrophobicContact CB-CZ2 4.09Å; A253-M319 HydrophobicContact CB-SD 4.13Å; A253-K329 HydrophobicContact CB-CG 3.98Å; A253-K329 WeakPolarHBondContact O-CG 3.39Å; A253-K329 PolarHBondContact O-NZ 3.46Å; A253-L332 HydrophobicContact CB-CD1 3.97Å
254	H	97.4	Very high	94.3	Very high	35 Å²	35	27.7 Å²	27.7	16%	0.162	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	51.4	-169.1	-63.9	177.7	0	0	0	110.6	D205 L208 G209 V250 A251 A252 H256 R325	D205-H254 PolarHBondContact O-ND1 2.84Å; D205-H254 IonicContact OD1-CG 3.38Å; D205-H254 IonicContact OD1-ND1 2.59Å; D205-H254 PolarHBondContact OD1-ND1 2.97Å; D205-H254 IonicContact OD2-CE1 3.02Å; D205-H254 IonicContact OD2-ND1 2.74Å; D205-H254 PolarHBondContact OD2-ND1 2.76Å; L208-H254 HydrophobicContact CB-CB 3.85Å; L208-H254 WeakPolarHBondContact CD1-O 3.48Å; G209-H254 VanDerWaalsContact CA-CE1 3.41Å; G209-H254 WeakPolarHBondContact CA-CE1 3.34Å; G209-H254 VanDerWaalsContact CA-NE2 3.32Å; G209-H254 WeakPolarHBondContact CA-NE2 3.28Å; V250-H254 PolarHBondContact O-N 3.14Å; A251-H254 PolarHBondContact O-CD2 3.02Å; A251-H254 PolarHBondContact O-N 3.42Å; A252-H254 PolarHBondContact O-N 3.46Å; H254-H256 PolarHBondContact O-N 3.11Å; H254-R325 WeakPolarHBondContact ND1-CD 3.31Å; H254-R325 PolarHBondContact ND1-NE 2.91Å
255	F	96.1	Very high	94.1	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.039	15%	0.147	C	C	.	.			trans	-58.4	133.7	-174.7	-176.4	-99.8	0	0	0	111.4	W212 V250 A253 S257 K261 F265 K329	W212-F255 HydrophobicContact CZ2-CB 4.1Å; W212-F255 HydrophobicContact CZ2-CD1 4.42Å; W212-F255 PolarHBondContact NE1-O 3.44Å; V250-F255 HydrophobicContact CB-CB 4.42Å; V250-F255 HydrophobicContact CG1-CB 3.33Å; V250-F255 HydrophobicContact CG1-CD1 3.94Å; V250-F255 HydrophobicContact CG1-CG 3.77Å; V250-F255 WeakPolarHBondContact O-CB 3.49Å; V250-F255 PolarHBondContact O-N 2.99Å; V250-F255 VanDerWaalsContact O-N 3.16Å; A253-F255 PolarHBondContact O-N 3.16Å; F255-S257 PolarHBondContact O-N 3.08Å; F255-S257 VanDerWaalsContact O-N 3.1Å; F255-K261 HydrophobicContact CE1-CB 4.21Å; F255-K261 HydrophobicContact CZ-CB 3.78Å; F255-F265 HydrophobicContact CD2-CZ 4.48Å; F255-F265 HydrophobicContact CE1-CD2 4.35Å; F255-F265 HydrophobicContact CE1-CE2 4.39Å; F255-F265 HydrophobicContact CE2-CD2 4.17Å; F255-F265 AromaticContact CE2-CE2 3.42Å; F255-F265 HydrophobicContact CE2-CE2 3.42Å; F255-F265 VanDerWaalsContact CE2-CE2 3.42Å; F255-F265 AromaticContact CE2-CZ 3.62Å; F255-F265 HydrophobicContact CE2-CZ 3.62Å; F255-F265 AromaticContact CZ-CD2 3.57Å; F255-F265 HydrophobicContact CZ-CD2 3.57Å; F255-F265 AromaticContact CZ-CE2 3.28Å; F255-F265 HydrophobicContact CZ-CE2 3.28Å; F255-F265 HydrophobicContact CZ-CG 4.36Å; F255-F265 AromaticContact CZ-CZ 3.9Å; F255-F265 HydrophobicContact CZ-CZ 3.9Å; F255-K329 HydrophobicContact CD2-CG 4.16Å
256	H	95.8	Very high	94.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.133	C	C	.	.			trans	-82.6	90.6	177.7	-171.1	-150.1	0	0	0	109.6	M77 E83 K204 L208 H254 N258 K261	M77-H256 PolarHBondContact O-CE1 2.76Å; E83-H256 PolarHBondContact O-CE1 3.07Å; E83-H256 PolarHBondContact O-NE2 3.39Å; E83-H256 IonicContact OE2-CE1 3.16Å; E83-H256 PolarHBondContact OE2-CE1 3.24Å; E83-H256 IonicContact OE2-ND1 3.78Å; K204-H256 PolarHBondContact NZ-CE1 3.4Å; K204-H256 PolarHBondContact NZ-ND1 3.28Å; L208-H256 HydrophobicContact CD1-CB 3.91Å; H254-H256 PolarHBondContact O-N 3.11Å; H256-N258 PolarHBondContact ND1-ND2 3.28Å; H256-N258 PolarHBondContact O-N 3.05Å; H256-K261 HydrophobicContact CB-CD 4.14Å; H256-K261 WeakPolarHBondContact O-CB 3.46Å; H256-K261 WeakPolarHBondContact O-CD 3.46Å
257	S	95.6	Very high	94	Very high	5 Å²	5	27.2 Å²	27.2	4%	0.035	14%	0.142	C	C	.	.			trans	-76.2	48.1	-179.5	55.4	0	0	0	0	113.2	P85 G88 F255 S262	P85-S257 CarbonylContact C-O 3.58Å; P85-S257 WeakPolarHBondContact CA-O 3.47Å; P85-S257 PolarHBondContact O-OG 3.44Å; G88-S257 PolarHBondContact N-O 3.09Å; F255-S257 PolarHBondContact O-N 3.08Å; F255-S257 VanDerWaalsContact O-N 3.1Å; S257-S262 VanDerWaalsContact C-OG 3.22Å; S257-S262 WeakPolarHBondContact CA-OG 3.39Å; S257-S262 PolarHBondContact O-OG 3.19Å
258	N	96.5	Very high	93.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.138	C	C	.	.			trans	-71.8	174.4	172	80.3	2.5	0	0	0	110.6	T82 E83 H256 E260 K261 S262	T82-N258 VanDerWaalsContact O-CB 3.31Å; T82-N258 WeakPolarHBondContact O-CB 3.43Å; E83-N258 WeakPolarHBondContact O-CB 3.48Å; E83-N258 PolarHBondContact OE2-ND2 3Å; H256-N258 PolarHBondContact ND1-ND2 3.28Å; H256-N258 PolarHBondContact O-N 3.05Å; N258-E260 PolarHBondContact OD1-N 2.91Å; N258-K261 WeakPolarHBondContact OD1-CB 3.5Å; N258-K261 VanDerWaalsContact OD1-CG 3.27Å; N258-K261 WeakPolarHBondContact OD1-CG 3.5Å; N258-K261 PolarHBondContact OD1-N 2.66Å; N258-S262 WeakPolarHBondContact O-CB 3.29Å; N258-S262 PolarHBondContact O-N 3.1Å; N258-S262 PolarHBondContact O-OG 3.26Å
259	L	95.4	Very high	93.9	Very high	17 Å²	17	25.3 Å²	25.3	9%	0.089	13%	0.131	C	C	.	.	H	α-helix	trans	-59	-55.3	-175	-172.9	86	0	0	0	112	L24 G27 T82 W87 L91 K261 S262 V263	L24-L259 HydrophobicContact CD2-CD1 4.3Å; G27-L259 WeakPolarHBondContact O-CD2 3.46Å; T82-L259 HydrophobicContact CG2-CB 4.12Å; T82-L259 HydrophobicContact CG2-CD2 3.69Å; T82-L259 PolarHBondContact O-N 2.6Å; W87-L259 HydrophobicContact CB-CB 4.05Å; W87-L259 HydrophobicContact CB-CD1 4.44Å; W87-L259 HydrophobicContact CD2-CB 4.22Å; W87-L259 HydrophobicContact CD2-CD1 3.91Å; W87-L259 HydrophobicContact CE3-CD1 3.5Å; W87-L259 VanDerWaalsContact CE3-CD1 3.5Å; W87-L259 HydrophobicContact CG-CB 3.95Å; W87-L259 HydrophobicContact CG-CD1 4.34Å; W87-L259 HydrophobicContact CZ3-CD1 4.04Å; L91-L259 HydrophobicContact CD1-CD1 3.79Å; L91-L259 HydrophobicContact CD1-CG 4.3Å; L91-L259 HydrophobicContact CD2-CD1 3.95Å; L91-L259 HydrophobicContact CG-CD1 4.04Å; L259-K261 PolarHBondContact O-N 2.95Å; L259-S262 PolarHBondContact O-N 2.58Å; L259-V263 WeakPolarHBondContact O-CG2 3.25Å; L259-V263 PolarHBondContact O-N 2.96Å
260	E	92.9	Very high	94	Very high	130 Å²	130	25.1 Å²	25.1	61%	0.607	13%	0.13	S	C	*	.	H	α-helix	trans	-59.4	-50.3	-175	-177.3	-177.7	177.3	0	0	111.7	N258 S262 V263 L264	N258-E260 PolarHBondContact OD1-N 2.91Å; E260-S262 VanDerWaalsContact C-N 3.34Å; E260-S262 PolarHBondContact O-N 3.33Å; E260-V263 WeakPolarHBondContact O-CB 3.36Å; E260-V263 PolarHBondContact O-N 3.38Å; E260-L264 PolarHBondContact O-N 3.22Å
261	K	92.9	Very high	94	Very high	62 Å²	62	25 Å²	25	27%	0.27	13%	0.13	S	C	.	.	H	α-helix	trans	-66.9	-37.8	-179.5	-67	-174.5	175.7	-152	0	111.5	F255 H256 N258 L259 V263 L264 F265	F255-K261 HydrophobicContact CE1-CB 4.21Å; F255-K261 HydrophobicContact CZ-CB 3.78Å; H256-K261 HydrophobicContact CB-CD 4.14Å; H256-K261 WeakPolarHBondContact O-CB 3.46Å; H256-K261 WeakPolarHBondContact O-CD 3.46Å; N258-K261 WeakPolarHBondContact OD1-CB 3.5Å; N258-K261 VanDerWaalsContact OD1-CG 3.27Å; N258-K261 WeakPolarHBondContact OD1-CG 3.5Å; N258-K261 PolarHBondContact OD1-N 2.66Å; L259-K261 PolarHBondContact O-N 2.95Å; K261-V263 VanDerWaalsContact C-N 3.3Å; K261-V263 PolarHBondContact O-N 3.12Å; K261-L264 WeakPolarHBondContact O-CB 3.25Å; K261-L264 PolarHBondContact O-N 3.3Å; K261-F265 VanDerWaalsContact O-CD2 3.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.26Å
262	S	94	Very high	94	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-34.2	178.7	-60	0	0	0	0	112.1	G88 S257 N258 L259 E260 L264 F265 L266	G88-S262 WeakPolarHBondContact CA-OG 3.47Å; S257-S262 VanDerWaalsContact C-OG 3.22Å; S257-S262 WeakPolarHBondContact CA-OG 3.39Å; S257-S262 PolarHBondContact O-OG 3.19Å; N258-S262 WeakPolarHBondContact O-CB 3.29Å; N258-S262 PolarHBondContact O-N 3.1Å; N258-S262 PolarHBondContact O-OG 3.26Å; L259-S262 PolarHBondContact O-N 2.58Å; E260-S262 VanDerWaalsContact C-N 3.34Å; E260-S262 PolarHBondContact O-N 3.33Å; S262-L264 VanDerWaalsContact C-N 3.3Å; S262-L264 PolarHBondContact O-N 2.83Å; S262-F265 PolarHBondContact O-N 3.35Å; S262-F265 VanDerWaalsContact O-N 3.14Å; S262-L266 WeakPolarHBondContact O-CB 3.3Å; S262-L266 VanDerWaalsContact O-CG 3.27Å; S262-L266 WeakPolarHBondContact O-CG 3.49Å; S262-L266 PolarHBondContact O-N 2.84Å
263	V	92.1	Very high	94	Very high	20 Å²	20	27.4 Å²	27.4	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-40.2	175.7	169.8	0	0	0	0	111.3	L24 L91 L259 E260 K261 F265 L266 N267	L24-V263 HydrophobicContact CD1-CG1 4.1Å; L24-V263 HydrophobicContact CD1-CG2 3.66Å; L24-V263 HydrophobicContact CD2-CG2 4Å; L24-V263 HydrophobicContact CG-CG2 3.95Å; L91-V263 HydrophobicContact CD1-CG2 3.85Å; L91-V263 HydrophobicContact CD2-CG2 4.38Å; L259-V263 WeakPolarHBondContact O-CG2 3.25Å; L259-V263 PolarHBondContact O-N 2.96Å; E260-V263 WeakPolarHBondContact O-CB 3.36Å; E260-V263 PolarHBondContact O-N 3.38Å; K261-V263 VanDerWaalsContact C-N 3.3Å; K261-V263 PolarHBondContact O-N 3.12Å; V263-F265 PolarHBondContact O-N 2.79Å; V263-L266 PolarHBondContact O-N 3.29Å; V263-N267 WeakPolarHBondContact CG1-ND2 3.48Å; V263-N267 VanDerWaalsContact O-CB 3.27Å; V263-N267 WeakPolarHBondContact O-CB 3.49Å; V263-N267 VanDerWaalsContact O-CG 3.31Å; V263-N267 PolarHBondContact O-N 3.07Å
264	L	89.2	Confident	94.1	Very high	69 Å²	69	28 Å²	28	36%	0.361	14%	0.14	S	C	.	.	H	α-helix	trans	-59.5	-32.4	176.9	-62.2	174.5	0	0	0	112.8	E260 K261 S262 P268	E260-L264 PolarHBondContact O-N 3.22Å; K261-L264 WeakPolarHBondContact O-CB 3.25Å; K261-L264 PolarHBondContact O-N 3.3Å; S262-L264 VanDerWaalsContact C-N 3.3Å; S262-L264 PolarHBondContact O-N 2.83Å; L264-P268 VanDerWaalsContact O-CD 3.25Å; L264-P268 WeakPolarHBondContact O-CD 3.39Å; L264-P268 WeakPolarHBondContact O-CG 3.36Å
265	F	88	Confident	94.1	Very high	33 Å²	33	33 Å²	33	15%	0.145	16%	0.158	C	C	.	.	H	α-helix	trans	-92.9	-26.2	-178.1	-74.3	-105.3	0	0	0	113.5	F255 K261 S262 V263 L332 E333 L336	F255-F265 HydrophobicContact CD2-CZ 4.48Å; F255-F265 HydrophobicContact CE1-CD2 4.35Å; F255-F265 HydrophobicContact CE1-CE2 4.39Å; F255-F265 HydrophobicContact CE2-CD2 4.17Å; F255-F265 AromaticContact CE2-CE2 3.42Å; F255-F265 HydrophobicContact CE2-CE2 3.42Å; F255-F265 VanDerWaalsContact CE2-CE2 3.42Å; F255-F265 AromaticContact CE2-CZ 3.62Å; F255-F265 HydrophobicContact CE2-CZ 3.62Å; F255-F265 AromaticContact CZ-CD2 3.57Å; F255-F265 HydrophobicContact CZ-CD2 3.57Å; F255-F265 AromaticContact CZ-CE2 3.28Å; F255-F265 HydrophobicContact CZ-CE2 3.28Å; F255-F265 HydrophobicContact CZ-CG 4.36Å; F255-F265 AromaticContact CZ-CZ 3.9Å; F255-F265 HydrophobicContact CZ-CZ 3.9Å; K261-F265 VanDerWaalsContact O-CD2 3.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.26Å; S262-F265 PolarHBondContact O-N 3.35Å; S262-F265 VanDerWaalsContact O-N 3.14Å; V263-F265 PolarHBondContact O-N 2.79Å; F265-L332 HydrophobicContact CE1-CB 4.37Å; F265-L332 HydrophobicContact CZ-CB 4.37Å; F265-E333 HydrophobicContact CE2-CB 4.44Å; F265-E333 HydrophobicContact CZ-CB 4.18Å; F265-L336 HydrophobicContact CB-CD2 3.98Å; F265-L336 HydrophobicContact CD1-CD2 3.3Å; F265-L336 HydrophobicContact CE1-CB 4.49Å; F265-L336 HydrophobicContact CE1-CD2 3.88Å; F265-L336 HydrophobicContact CG-CD2 3.74Å
266	L	91.7	Very high	94.1	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-93.3	-32.7	-176.6	-66.4	174.2	0	0	0	113.7	V23 L91 Q92 W243 S262 V263 P268 L269	V23-L266 HydrophobicContact CG1-CB 4.38Å; V23-L266 HydrophobicContact CG1-CD1 4.34Å; V23-L266 HydrophobicContact CG2-CB 4.41Å; L91-L266 HydrophobicContact CB-CD1 3.27Å; L91-L266 HydrophobicContact CD1-CD1 4.45Å; L91-L266 HydrophobicContact CG-CD1 4.48Å; Q92-L266 HydrophobicContact CB-CD1 4.44Å; Q92-L266 HydrophobicContact CB-CD2 4.39Å; Q92-L266 HydrophobicContact CG-CD2 4.44Å; W243-L266 HydrophobicContact CH2-CD2 3.81Å; S262-L266 WeakPolarHBondContact O-CB 3.3Å; S262-L266 VanDerWaalsContact O-CG 3.27Å; S262-L266 WeakPolarHBondContact O-CG 3.49Å; S262-L266 PolarHBondContact O-N 2.84Å; V263-L266 PolarHBondContact O-N 3.29Å; L266-P268 VanDerWaalsContact C-CD 3.49Å; L266-L269 HydrophobicContact CB-CD1 4.42Å; L266-L269 HydrophobicContact CD2-CD1 3.53Å; L266-L269 VanDerWaalsContact O-CB 3.31Å; L266-L269 WeakPolarHBondContact O-CB 3.13Å; L266-L269 WeakPolarHBondContact O-CG 3.32Å; L266-L269 PolarHBondContact O-N 2.89Å
267	N	89.3	Confident	94.1	Very high	62 Å²	62	40 Å²	40	33%	0.332	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-42.6	176.7	-81.2	-2.2	0	0	0	114.1	V263 L269	V263-N267 WeakPolarHBondContact CG1-ND2 3.48Å; V263-N267 VanDerWaalsContact O-CB 3.27Å; V263-N267 WeakPolarHBondContact O-CB 3.49Å; V263-N267 VanDerWaalsContact O-CG 3.31Å; V263-N267 PolarHBondContact O-N 3.07Å; N267-L269 PolarHBondContact O-N 3.47Å
268	P	91.1	Very high	94.3	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.071	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	17.3	-178.4	39.2	-40.3	0	0	0	111.9	L264 L266 E289 E290 S293 L336	L264-P268 VanDerWaalsContact O-CD 3.25Å; L264-P268 WeakPolarHBondContact O-CD 3.39Å; L264-P268 WeakPolarHBondContact O-CG 3.36Å; L266-P268 VanDerWaalsContact C-CD 3.49Å; P268-E289 HydrophobicContact CB-CB 3.96Å; P268-E290 VanDerWaalsContact O-CA 3.29Å; P268-E290 WeakPolarHBondContact O-CA 3.4Å; P268-S293 VanDerWaalsContact CB-OG 3.29Å; P268-S293 WeakPolarHBondContact CB-OG 3.39Å; P268-S293 WeakPolarHBondContact O-CB 3.46Å; P268-S293 PolarHBondContact O-OG 3.42Å; P268-L336 HydrophobicContact CG-CD2 4.29Å; P268-L336 HydrophobicContact CG-CG 4.44Å
269	L	94.3	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-84.1	151.6	172.7	-64.1	-179.6	0	0	0	111.6	W95 F239 W243 L266 N267 S271 E290 F297	W95-L269 HydrophobicContact CD2-CD1 3.98Å; W95-L269 HydrophobicContact CE3-CD1 4.41Å; W95-L269 HydrophobicContact CG-CD1 4.35Å; W95-L269 HydrophobicContact CZ2-CB 4.04Å; W95-L269 HydrophobicContact CZ2-CD1 4.08Å; F239-L269 HydrophobicContact CZ-CD2 4.49Å; W243-L269 HydrophobicContact CE3-CD1 4.28Å; W243-L269 HydrophobicContact CE3-CD2 4.28Å; W243-L269 HydrophobicContact CH2-CD1 3.68Å; W243-L269 HydrophobicContact CZ3-CD1 3.3Å; W243-L269 HydrophobicContact CZ3-CD2 3.72Å; W243-L269 HydrophobicContact CZ3-CG 4.14Å; L266-L269 HydrophobicContact CB-CD1 4.42Å; L266-L269 HydrophobicContact CD2-CD1 3.53Å; L266-L269 VanDerWaalsContact O-CB 3.31Å; L266-L269 WeakPolarHBondContact O-CB 3.13Å; L266-L269 WeakPolarHBondContact O-CG 3.32Å; L266-L269 PolarHBondContact O-N 2.89Å; N267-L269 PolarHBondContact O-N 3.47Å; L269-S271 PolarHBondContact O-N 3.21Å; L269-S271 VanDerWaalsContact O-N 3.14Å; L269-E290 WeakPolarHBondContact O-CG 3.34Å; L269-F297 HydrophobicContact CD2-CE2 3.7Å; L269-F297 HydrophobicContact CD2-CZ 4.1Å
270	P	95.9	Very high	94.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	27%	0.266	C	S	.	.			trans	-55.3	122.2	-178.5	25.2	-38	0	0	0	111.9	W95 R101 F239 R272 L274 L286 L294	W95-P270 HydrophobicContact CZ2-CG 4.42Å; W95-P270 PolarHBondContact NE1-O 3.49Å; R101-P270 PolarHBondContact NH1-O 3.01Å; F239-P270 HydrophobicContact CD1-CG 4.31Å; F239-P270 HydrophobicContact CE1-CG 3.74Å; F239-P270 HydrophobicContact CE2-CG 4.16Å; F239-P270 HydrophobicContact CZ-CG 3.67Å; P270-R272 PolarHBondContact O-N 3.18Å; P270-L274 HydrophobicContact CB-CD2 4.08Å; P270-L286 HydrophobicContact CB-CD1 4.36Å; P270-L294 HydrophobicContact CB-CD1 4.39Å; P270-L294 HydrophobicContact CB-CD2 4.47Å; P270-L294 HydrophobicContact CG-CD2 3.98Å
271	S	95.6	Very high	94.2	Very high	21 Å²	21	42 Å²	42	15%	0.147	26%	0.256	C	S	.	.	S	Bend	trans	-68.1	-12.6	-178.8	50.9	0	0	0	0	114.3	S19 S99 L269 E290	S19-S271 WeakPolarHBondContact O-CB 3.48Å; S99-S271 WeakPolarHBondContact CA-O 3.49Å; S99-S271 VanDerWaalsContact CB-O 3.29Å; S99-S271 WeakPolarHBondContact CB-O 3.31Å; L269-S271 PolarHBondContact O-N 3.21Å; L269-S271 VanDerWaalsContact O-N 3.14Å; S271-E290 WeakPolarHBondContact CA-OE1 3.39Å; S271-E290 WeakPolarHBondContact CB-OE1 3.31Å; S271-E290 PolarHBondContact N-OE1 3.4Å; S271-E290 PolarHBondContact OG-OE1 2.63Å
272	R	96.1	Very high	94.3	Very high	29 Å²	29	45.7 Å²	45.7	11%	0.109	28%	0.279	C	S	.	.	S	Bend	trans	-135.4	164.5	174.2	59.2	167.4	-176.4	75.2	-2.3	111.1	R101 P270 L274 D278 D285 L286	R101-R272 PolarHBondContact NH1-O 3.38Å; R101-R272 PolarHBondContact NH2-O 3.5Å; P270-R272 PolarHBondContact O-N 3.18Å; R272-L274 PolarHBondContact O-N 3.45Å; R272-D278 IonicContact CZ-OD1 3.79Å; R272-D278 IonicContact CZ-OD2 3.43Å; R272-D278 IonicContact NH1-OD1 3.15Å; R272-D278 IonicContact NH1-OD2 2.65Å; R272-D278 PolarHBondContact NH1-OD2 2.91Å; R272-D278 IonicContact NH2-OD1 2.86Å; R272-D278 PolarHBondContact NH2-OD1 2.98Å; R272-D278 IonicContact NH2-OD2 3.25Å; R272-D278 PolarHBondContact NH2-OD2 2.85Å; R272-D285 IonicContact CZ-OD1 3.52Å; R272-D285 IonicContact CZ-OD2 3.31Å; R272-D285 IonicContact NE-OD1 3.69Å; R272-D285 PolarHBondContact NE-OD1 2.7Å; R272-D285 IonicContact NE-OD2 3.49Å; R272-D285 PolarHBondContact NE-OD2 3.31Å; R272-D285 IonicContact NH2-OD1 2.73Å; R272-D285 PolarHBondContact NH2-OD1 3.33Å; R272-D285 IonicContact NH2-OD2 2.74Å; R272-D285 PolarHBondContact NH2-OD2 2.74Å; R272-L286 HydrophobicContact CG-CD2 4.11Å
273	I	97.7	Very high	94.5	Very high	48 Å²	48	45.8 Å²	45.8	25%	0.246	28%	0.279	C	S	.	.			trans	-58.2	134	165.5	-64.4	168	0	0	0	108.9	R101 Y232 E236	R101-I273 HydrophobicContact CG-CG1 3.79Å; Y232-I273 HydrophobicContact CD1-CG2 4.13Å; Y232-I273 HydrophobicContact CE1-CD1 4.35Å; E236-I273 HydrophobicContact CB-CG2 4.3Å; E236-I273 HydrophobicContact CG-CG2 3.96Å
274	L	98.3	Very high	94.6	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.063	32%	0.315	C	S	.	.			trans	-70.7	148.1	174.5	-59	-178.4	0	0	0	110.7	S233 E235 E236 F239 P270 R272 D278 I283 L286 L294	S233-L274 PolarHBondContact OG-O 2.67Å; E235-L274 HydrophobicContact CB-CB 3.99Å; E235-L274 HydrophobicContact CB-CD1 4.48Å; E236-L274 HydrophobicContact CB-CB 4.08Å; E236-L274 PolarHBondContact OE2-N 3.38Å; F239-L274 HydrophobicContact CB-CD1 3.68Å; F239-L274 HydrophobicContact CG-CD1 4.14Å; P270-L274 HydrophobicContact CB-CD2 4.08Å; R272-L274 PolarHBondContact O-N 3.45Å; L274-D278 WeakPolarHBondContact CA-OD2 3.09Å; L274-I283 HydrophobicContact CD2-CD1 4.35Å; L274-L286 HydrophobicContact CD2-CD1 4.28Å; L274-L294 HydrophobicContact CD1-CD1 4.42Å; L274-L294 HydrophobicContact CD1-CD2 3.89Å; L274-L294 HydrophobicContact CD2-CD1 3.92Å
275	R	97.1	Very high	94.9	Very high	142 Å²	142	50.2 Å²	50.2	54%	0.536	32%	0.317	S	S	.	.			trans	-126.3	164.4	-171.3	-58	171.2	-175.1	159	0.5	110	E235 G277 D278	E235-R275 VanDerWaalsContact CD-O 3.27Å; E235-R275 WeakPolarHBondContact CG-O 3.37Å; R275-G277 PolarHBondContact O-N 3.3Å; R275-D278 PolarHBondContact N-OD2 3.14Å; R275-D278 WeakPolarHBondContact O-CB 3.46Å; R275-D278 PolarHBondContact O-N 2.97Å
276	A	97.4	Very high	95.2	Very high	86 Å²	86	49.1 Å²	49.1	71%	0.711	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	124.5	173.5	0	0	0	0	0	111.1	E235	E235-A276 WeakPolarHBondContact OE1-CA 3.47Å; E235-A276 WeakPolarHBondContact OE2-CA 3.34Å
277	G	96.1	Very high	95.3	Very high	69 Å²	69	50.3 Å²	50.3	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-3.7	-179.7	0	0	0	0	0	115.4	E235 R275 A279	E235-G277 PolarHBondContact OE1-N 3.4Å; R275-G277 PolarHBondContact O-N 3.3Å; G277-A279 PolarHBondContact O-N 3.31Å
278	D	97.9	Very high	95.4	Very high	31 Å²	31	55 Å²	55	17%	0.166	34%	0.34	C	S	.	.			trans	-66.5	122.2	169.9	-77.6	-25	0	0	0	110.3	E235 R272 L274 R275 I283	E235-D278 HydrophobicContact CG-CB 4.44Å; E235-D278 WeakPolarHBondContact CG-O 3.24Å; R272-D278 IonicContact CZ-OD1 3.79Å; R272-D278 IonicContact CZ-OD2 3.43Å; R272-D278 IonicContact NH1-OD1 3.15Å; R272-D278 IonicContact NH1-OD2 2.65Å; R272-D278 PolarHBondContact NH1-OD2 2.91Å; R272-D278 IonicContact NH2-OD1 2.86Å; R272-D278 PolarHBondContact NH2-OD1 2.98Å; R272-D278 IonicContact NH2-OD2 3.25Å; R272-D278 PolarHBondContact NH2-OD2 2.85Å; L274-D278 WeakPolarHBondContact CA-OD2 3.09Å; R275-D278 PolarHBondContact N-OD2 3.14Å; R275-D278 WeakPolarHBondContact O-CB 3.46Å; R275-D278 PolarHBondContact O-N 2.97Å; D278-I283 HydrophobicContact CB-CD1 3.8Å; D278-I283 HydrophobicContact CB-CG1 4.03Å; D278-I283 WeakPolarHBondContact OD1-CG2 3.05Å
279	A	96	Very high	95.4	Very high	65 Å²	65	60.6 Å²	60.6	54%	0.537	37%	0.365	S	S	.	.			trans	-135.3	98.5	179.5	0	0	0	0	0	111	G277 N282	G277-A279 PolarHBondContact O-N 3.31Å; A279-N282 PolarHBondContact O-N 3.35Å
280	A	94.4	Very high	95.4	Very high	41 Å²	41	60.6 Å²	60.6	34%	0.339	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	143.2	172.7	0	0	0	0	0	110.5	I283 L294	A280-I283 HydrophobicContact CB-CD1 4.28Å; A280-L294 HydrophobicContact CB-CB 3.55Å; A280-L294 HydrophobicContact CB-CD1 4.31Å
281	P	94.3	Very high	95.3	Very high	61 Å²	61	61 Å²	61	40%	0.396	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95	22.7	9	39.1	-37.6	0	0	0	114.3	N291 K295	P281-N291 VanDerWaalsContact C-CG 3.45Å; P281-N291 WeakPolarHBondContact CA-OD1 3.29Å; P281-N291 HydrophobicContact CB-CB 4.19Å; P281-N291 WeakPolarHBondContact O-CB 3.22Å; P281-N291 PolarHBondContact O-OD1 3.45Å; P281-K295 HydrophobicContact CB-CD 4.41Å
282	N	94.8	Very high	95.2	Very high	140 Å²	140	60.8 Å²	60.8	75%	0.749	37%	0.365	S	S	*	.			trans	-117.1	34.4	-170.3	-56.2	-59.2	0	0	0	113.4	A279 A284 N291	A279-N282 PolarHBondContact O-N 3.35Å; N282-A284 PolarHBondContact O-N 3.35Å; N282-N291 PolarHBondContact N-OD1 2.89Å
283	I	96.8	Very high	95	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.046	36%	0.36	C	S	.	.			trans	-80.3	110.8	175.5	-57.3	164.5	0	0	0	108.1	L274 D278 A280 D285 L286 N291 L294	L274-I283 HydrophobicContact CD2-CD1 4.35Å; D278-I283 HydrophobicContact CB-CD1 3.8Å; D278-I283 HydrophobicContact CB-CG1 4.03Å; D278-I283 WeakPolarHBondContact OD1-CG2 3.05Å; A280-I283 HydrophobicContact CB-CD1 4.28Å; I283-D285 VanDerWaalsContact C-N 3.32Å; I283-D285 WeakPolarHBondContact CG2-OD1 3.4Å; I283-D285 PolarHBondContact O-N 3.31Å; I283-L286 HydrophobicContact CB-CB 4.23Å; I283-L286 HydrophobicContact CB-CD1 3.97Å; I283-L286 HydrophobicContact CB-CG 4.08Å; I283-L286 HydrophobicContact CD1-CD1 3.7Å; I283-L286 HydrophobicContact CG1-CD1 4.45Å; I283-L286 HydrophobicContact CG2-CB 4.21Å; I283-L286 HydrophobicContact CG2-CD1 3.82Å; I283-L286 HydrophobicContact CG2-CG 3.65Å; I283-L286 PolarHBondContact O-N 3.49Å; I283-N291 WeakPolarHBondContact CB-OD1 3.23Å; I283-N291 PolarHBondContact N-OD1 3.3Å; I283-N291 PolarHBondContact O-ND2 3.08Å; I283-L294 HydrophobicContact CD1-CD1 3.68Å
284	A	94.9	Very high	94.9	Very high	106 Å²	106	57.8 Å²	57.8	88%	0.876	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-29	-164.4	0	0	0	0	0	115.1	N282	N282-A284 PolarHBondContact O-N 3.35Å
285	D	94.5	Very high	94.7	Very high	76 Å²	76	62.2 Å²	62.2	41%	0.406	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.9	-179.5	66.7	-31.4	0	0	0	113.6	R272 I283	R272-D285 IonicContact CZ-OD1 3.52Å; R272-D285 IonicContact CZ-OD2 3.31Å; R272-D285 IonicContact NE-OD1 3.69Å; R272-D285 PolarHBondContact NE-OD1 2.7Å; R272-D285 IonicContact NE-OD2 3.49Å; R272-D285 PolarHBondContact NE-OD2 3.31Å; R272-D285 IonicContact NH2-OD1 2.73Å; R272-D285 PolarHBondContact NH2-OD1 3.33Å; R272-D285 IonicContact NH2-OD2 2.74Å; R272-D285 PolarHBondContact NH2-OD2 2.74Å; I283-D285 VanDerWaalsContact C-N 3.32Å; I283-D285 WeakPolarHBondContact CG2-OD1 3.4Å; I283-D285 PolarHBondContact O-N 3.31Å
286	L	95.1	Very high	94.5	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	35%	0.347	C	S	.	.	S	Bend	trans	-102.5	149.8	168.9	-62.6	-174.4	0	0	0	110.5	P270 R272 L274 I283 E290 N291 L294	P270-L286 HydrophobicContact CB-CD1 4.36Å; R272-L286 HydrophobicContact CG-CD2 4.11Å; L274-L286 HydrophobicContact CD2-CD1 4.28Å; I283-L286 HydrophobicContact CB-CB 4.23Å; I283-L286 HydrophobicContact CB-CD1 3.97Å; I283-L286 HydrophobicContact CB-CG 4.08Å; I283-L286 HydrophobicContact CD1-CD1 3.7Å; I283-L286 HydrophobicContact CG1-CD1 4.45Å; I283-L286 HydrophobicContact CG2-CB 4.21Å; I283-L286 HydrophobicContact CG2-CD1 3.82Å; I283-L286 HydrophobicContact CG2-CG 3.65Å; I283-L286 PolarHBondContact O-N 3.49Å; L286-E290 HydrophobicContact CB-CB 4Å; L286-E290 HydrophobicContact CD1-CB 4.39Å; L286-N291 PolarHBondContact O-ND2 3.42Å; L286-L294 HydrophobicContact CD1-CD1 3.7Å
287	T	93.4	Very high	94.3	Very high	36 Å²	36	52.8 Å²	52.8	22%	0.221	32%	0.317	C	S	.	.			trans	-64.3	166.7	173	64.3	0	0	0	0	111.7	E289 E290 N291	T287-E289 VanDerWaalsContact C-N 3.28Å; T287-E289 PolarHBondContact O-N 2.97Å; T287-E290 VanDerWaalsContact CB-OE2 3.3Å; T287-E290 WeakPolarHBondContact CB-OE2 3.3Å; T287-E290 VanDerWaalsContact CG2-OE2 3.31Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.31Å; T287-E290 PolarHBondContact N-OE2 2.79Å; T287-E290 PolarHBondContact O-N 2.7Å; T287-E290 WeakPolarHBondContact OG1-CB 3.11Å; T287-E290 WeakPolarHBondContact OG1-CG 3.06Å; T287-E290 PolarHBondContact OG1-N 3.22Å; T287-E290 PolarHBondContact OG1-OE2 3.16Å; T287-N291 WeakPolarHBondContact O-CB 3.47Å; T287-N291 PolarHBondContact O-N 2.89Å; T287-N291 PolarHBondContact O-ND2 3.17Å
288	Q	92.1	Very high	94.1	Very high	160 Å²	160	51.7 Å²	51.7	75%	0.748	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-37.4	175.1	-174.6	174.5	10.8	0	0	112	N292	Q288-N292 VanDerWaalsContact O-CB 3.32Å; Q288-N292 WeakPolarHBondContact O-CB 3.29Å; Q288-N292 PolarHBondContact O-N 3.23Å
289	E	91.4	Very high	93.9	Very high	128 Å²	128	52.5 Å²	52.5	60%	0.598	30%	0.3	S	S	*	.	H	α-helix	trans	-65.1	-47.3	178.6	-67.4	173.4	-177.6	0	0	110.7	P268 T287 N291 N292 S293	P268-E289 HydrophobicContact CB-CB 3.96Å; T287-E289 VanDerWaalsContact C-N 3.28Å; T287-E289 PolarHBondContact O-N 2.97Å; E289-N291 PolarHBondContact O-N 3.43Å; E289-N292 PolarHBondContact O-N 2.03Å; E289-N292 VanDerWaalsContact O-N 3.17Å; E289-S293 PolarHBondContact O-N 2.73Å; E289-S293 PolarHBondContact O-OG 2.67Å
290	E	93.8	Very high	93.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-46.4	175.6	-70.9	167.8	116.8	0	0	112.7	P268 L269 S271 L286 T287 N292 S293 L294	P268-E290 VanDerWaalsContact O-CA 3.29Å; P268-E290 WeakPolarHBondContact O-CA 3.4Å; L269-E290 WeakPolarHBondContact O-CG 3.34Å; S271-E290 WeakPolarHBondContact CA-OE1 3.39Å; S271-E290 WeakPolarHBondContact CB-OE1 3.31Å; S271-E290 PolarHBondContact N-OE1 3.4Å; S271-E290 PolarHBondContact OG-OE1 2.63Å; L286-E290 HydrophobicContact CB-CB 4Å; L286-E290 HydrophobicContact CD1-CB 4.39Å; T287-E290 VanDerWaalsContact CB-OE2 3.3Å; T287-E290 WeakPolarHBondContact CB-OE2 3.3Å; T287-E290 VanDerWaalsContact CG2-OE2 3.31Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.31Å; T287-E290 PolarHBondContact N-OE2 2.79Å; T287-E290 PolarHBondContact O-N 2.7Å; T287-E290 WeakPolarHBondContact OG1-CB 3.11Å; T287-E290 WeakPolarHBondContact OG1-CG 3.06Å; T287-E290 PolarHBondContact OG1-N 3.22Å; T287-E290 PolarHBondContact OG1-OE2 3.16Å; E290-N292 VanDerWaalsContact C-N 3.32Å; E290-N292 PolarHBondContact O-N 3.47Å; E290-S293 PolarHBondContact O-N 3.33Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 3.38Å
291	N	94.3	Very high	93.4	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-40	175.7	-88.7	-68.4	0	0	0	112.2	P281 N282 I283 L286 T287 E289 K295	P281-N291 VanDerWaalsContact C-CG 3.45Å; P281-N291 WeakPolarHBondContact CA-OD1 3.29Å; P281-N291 HydrophobicContact CB-CB 4.19Å; P281-N291 WeakPolarHBondContact O-CB 3.22Å; P281-N291 PolarHBondContact O-OD1 3.45Å; N282-N291 PolarHBondContact N-OD1 2.89Å; I283-N291 WeakPolarHBondContact CB-OD1 3.23Å; I283-N291 PolarHBondContact N-OD1 3.3Å; I283-N291 PolarHBondContact O-ND2 3.08Å; L286-N291 PolarHBondContact O-ND2 3.42Å; T287-N291 WeakPolarHBondContact O-CB 3.47Å; T287-N291 PolarHBondContact O-N 2.89Å; T287-N291 PolarHBondContact O-ND2 3.17Å; E289-N291 PolarHBondContact O-N 3.43Å; N291-K295 WeakPolarHBondContact O-CB 3.02Å; N291-K295 PolarHBondContact O-N 3Å; N291-K295 VanDerWaalsContact O-N 3.11Å
292	N	92.4	Very high	93.1	Very high	16 Å²	16	51.2 Å²	51.2	9%	0.086	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-47.6	177.5	-176.1	63.4	0	0	0	111.2	Q288 E289 E290 L294 K295 I296 L336	Q288-N292 VanDerWaalsContact O-CB 3.32Å; Q288-N292 WeakPolarHBondContact O-CB 3.29Å; Q288-N292 PolarHBondContact O-N 3.23Å; E289-N292 PolarHBondContact O-N 2.03Å; E289-N292 VanDerWaalsContact O-N 3.17Å; E290-N292 VanDerWaalsContact C-N 3.32Å; E290-N292 PolarHBondContact O-N 3.47Å; N292-L294 PolarHBondContact O-N 3.43Å; N292-K295 WeakPolarHBondContact O-CB 3.33Å; N292-K295 PolarHBondContact O-N 2.93Å; N292-K295 VanDerWaalsContact O-N 3.16Å; N292-I296 WeakPolarHBondContact O-CG1 3.41Å; N292-I296 PolarHBondContact O-N 2.98Å; N292-L336 PolarHBondContact ND2-O 3.26Å
293	S	93.3	Very high	92.8	Very high	1 Å²	1	46 Å²	46	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-47.5	178.5	-67.9	0	0	0	0	111.5	P268 E289 E290 K295 I296 F297 L336	P268-S293 VanDerWaalsContact CB-OG 3.29Å; P268-S293 WeakPolarHBondContact CB-OG 3.39Å; P268-S293 WeakPolarHBondContact O-CB 3.46Å; P268-S293 PolarHBondContact O-OG 3.42Å; E289-S293 PolarHBondContact O-N 2.73Å; E289-S293 PolarHBondContact O-OG 2.67Å; E290-S293 PolarHBondContact O-N 3.33Å; S293-K295 VanDerWaalsContact C-N 3.27Å; S293-K295 PolarHBondContact O-N 3.33Å; S293-I296 PolarHBondContact O-N 3.16Å; S293-F297 VanDerWaalsContact O-CD2 3.23Å; S293-F297 WeakPolarHBondContact O-CD2 3.28Å; S293-F297 PolarHBondContact O-N 3.28Å; S293-L336 WeakPolarHBondContact OG-CD1 3.25Å
294	L	94.9	Very high	92.5	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-55.6	-42	175.4	-72.9	174	0	0	0	112.7	F239 P270 L274 A280 I283 L286 E290 N292 S298	F239-L294 HydrophobicContact CD2-CD2 3.56Å; F239-L294 HydrophobicContact CE2-CD2 3.92Å; F239-L294 HydrophobicContact CG-CD2 4.15Å; P270-L294 HydrophobicContact CB-CD1 4.39Å; P270-L294 HydrophobicContact CB-CD2 4.47Å; P270-L294 HydrophobicContact CG-CD2 3.98Å; L274-L294 HydrophobicContact CD1-CD1 4.42Å; L274-L294 HydrophobicContact CD1-CD2 3.89Å; L274-L294 HydrophobicContact CD2-CD1 3.92Å; A280-L294 HydrophobicContact CB-CB 3.55Å; A280-L294 HydrophobicContact CB-CD1 4.31Å; I283-L294 HydrophobicContact CD1-CD1 3.68Å; L286-L294 HydrophobicContact CD1-CD1 3.7Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 3.38Å; N292-L294 PolarHBondContact O-N 3.43Å; L294-S298 WeakPolarHBondContact O-CB 3.2Å; L294-S298 PolarHBondContact O-N 3.44Å
295	K	93.9	Very high	92.2	Very high	105 Å²	105	46.3 Å²	46.3	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-43.9	174.5	174.3	-166.7	170.2	-164.8	0	111.6	P281 N291 N292 S293 W299	P281-K295 HydrophobicContact CB-CD 4.41Å; N291-K295 WeakPolarHBondContact O-CB 3.02Å; N291-K295 PolarHBondContact O-N 3Å; N291-K295 VanDerWaalsContact O-N 3.11Å; N292-K295 WeakPolarHBondContact O-CB 3.33Å; N292-K295 PolarHBondContact O-N 2.93Å; N292-K295 VanDerWaalsContact O-N 3.16Å; S293-K295 VanDerWaalsContact C-N 3.27Å; S293-K295 PolarHBondContact O-N 3.33Å; K295-W299 WeakPolarHBondContact O-CB 3.32Å; K295-W299 PolarHBondContact O-N 3.49Å
296	I	93.1	Very high	92	Very high	10 Å²	10	49 Å²	49	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-47	179	-66.9	-60.2	0	0	0	111.3	N292 S293 S298 W299 M300 L335 T343	N292-I296 WeakPolarHBondContact O-CG1 3.41Å; N292-I296 PolarHBondContact O-N 2.98Å; S293-I296 PolarHBondContact O-N 3.16Å; I296-S298 VanDerWaalsContact C-N 3.34Å; I296-S298 PolarHBondContact O-N 2.83Å; I296-W299 PolarHBondContact O-N 2.88Å; I296-W299 VanDerWaalsContact O-N 3.17Å; I296-M300 HydrophobicContact CG2-CG 4.39Å; I296-M300 HydrophobicContact CG2-SD 4.16Å; I296-M300 WeakPolarHBondContact O-CG 3.48Å; I296-M300 PolarHBondContact O-N 2.96Å; I296-L335 HydrophobicContact CD1-CD1 4.02Å; I296-L335 HydrophobicContact CG2-CD1 4.3Å; I296-L335 HydrophobicContact CG2-CD2 4.08Å; I296-L335 HydrophobicContact CG2-CG 3.8Å; I296-T343 HydrophobicContact CD1-CG2 4.11Å
297	F	93.3	Very high	91.6	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-55.6	-48.8	175.6	-87.6	-80.8	0	0	0	111.5	F239 W243 S246 L269 S293 W299 M300 K301 L336	F239-F297 HydrophobicContact CE2-CD2 4.48Å; W243-F297 HydrophobicContact CE3-CE1 4.04Å; W243-F297 AromaticContact CE3-CZ 3.86Å; W243-F297 HydrophobicContact CE3-CZ 3.86Å; W243-F297 HydrophobicContact CZ3-CZ 4.06Å; S246-F297 VanDerWaalsContact OG-CE1 3.32Å; S246-F297 WeakPolarHBondContact OG-CE1 3.32Å; L269-F297 HydrophobicContact CD2-CE2 3.7Å; L269-F297 HydrophobicContact CD2-CZ 4.1Å; S293-F297 VanDerWaalsContact O-CD2 3.23Å; S293-F297 WeakPolarHBondContact O-CD2 3.28Å; S293-F297 PolarHBondContact O-N 3.28Å; F297-W299 PolarHBondContact O-N 3.02Å; F297-M300 PolarHBondContact O-N 3.07Å; F297-K301 PolarHBondContact O-N 2.94Å; F297-K301 VanDerWaalsContact O-N 3.11Å; F297-L336 HydrophobicContact CE2-CD1 4.39Å
298	S	92.3	Very high	91.3	Very high	47 Å²	47	52.8 Å²	52.8	33%	0.329	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-42.4	176.9	-179.1	0	0	0	0	112	L294 I296 K301 N302	L294-S298 WeakPolarHBondContact O-CB 3.2Å; L294-S298 PolarHBondContact O-N 3.44Å; I296-S298 VanDerWaalsContact C-N 3.34Å; I296-S298 PolarHBondContact O-N 2.83Å; S298-K301 PolarHBondContact O-N 3.03Å; S298-N302 VanDerWaalsContact O-CB 3.26Å; S298-N302 WeakPolarHBondContact O-CB 3.5Å; S298-N302 PolarHBondContact O-N 3.18Å; S298-N302 PolarHBondContact O-ND2 3.25Å; S298-N302 PolarHBondContact OG-ND2 2.7Å
299	W	92.3	Very high	91.2	Very high	48 Å²	48	46.1 Å²	46.1	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-49.6	176.4	169	76.2	0	0	0	111.8	K295 I296 F297 K301 N302 I303 M311 L335 T343 F346 L347	K295-W299 WeakPolarHBondContact O-CB 3.32Å; K295-W299 PolarHBondContact O-N 3.49Å; I296-W299 PolarHBondContact O-N 2.88Å; I296-W299 VanDerWaalsContact O-N 3.17Å; F297-W299 PolarHBondContact O-N 3.02Å; W299-K301 PolarHBondContact O-N 3.14Å; W299-N302 PolarHBondContact O-N 2.91Å; W299-I303 HydrophobicContact CD2-CG2 4.45Å; W299-I303 HydrophobicContact CZ2-CG2 4.06Å; W299-I303 VanDerWaalsContact O-CG2 3.26Å; W299-I303 WeakPolarHBondContact O-CG2 3.49Å; W299-I303 PolarHBondContact O-N 3.48Å; W299-M311 HydrophobicContact CH2-CE 3.77Å; W299-M311 HydrophobicContact CZ2-CE 4.47Å; W299-M311 HydrophobicContact CZ3-CE 4.16Å; W299-L335 HydrophobicContact CE3-CD1 4.36Å; W299-L335 HydrophobicContact CZ3-CD1 3.86Å; W299-L335 HydrophobicContact CZ3-CD2 3.93Å; W299-T343 HydrophobicContact CD2-CG2 3.62Å; W299-T343 VanDerWaalsContact CE2-CB 3.46Å; W299-T343 HydrophobicContact CE3-CG2 3.76Å; W299-T343 HydrophobicContact CG-CG2 4.15Å; W299-T343 HydrophobicContact CH2-CG2 4.19Å; W299-T343 VanDerWaalsContact CZ2-CB 3.47Å; W299-T343 HydrophobicContact CZ2-CG2 4.1Å; W299-T343 HydrophobicContact CZ3-CG2 4.04Å; W299-F346 HydrophobicContact CH2-CB 4.21Å; W299-F346 AromaticContact CH2-CD1 3.82Å; W299-F346 HydrophobicContact CH2-CD1 3.82Å; W299-F346 HydrophobicContact CH2-CG 4.36Å; W299-F346 HydrophobicContact CZ3-CD1 4.21Å; W299-L347 HydrophobicContact CZ2-CD1 4.32Å; W299-L347 HydrophobicContact CZ2-CD2 4.47Å; W299-L347 HydrophobicContact CZ2-CG 4.19Å
300	M	90.1	Very high	91	Very high	16 Å²	16	41.8 Å²	41.8	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-46.8	180	-72.5	-178.8	70.1	0	0	111.6	Y249 I296 F297 I303 N304 L335	Y249-M300 HydrophobicContact CD1-CE 3.76Å; Y249-M300 HydrophobicContact CD2-CE 3.42Å; Y249-M300 VanDerWaalsContact CD2-CE 3.42Å; Y249-M300 HydrophobicContact CE1-CE 3.98Å; Y249-M300 HydrophobicContact CE2-CE 3.66Å; Y249-M300 HydrophobicContact CG-CE 3.46Å; Y249-M300 VanDerWaalsContact CG-CE 3.46Å; I296-M300 HydrophobicContact CG2-CG 4.39Å; I296-M300 HydrophobicContact CG2-SD 4.16Å; I296-M300 WeakPolarHBondContact O-CG 3.48Å; I296-M300 PolarHBondContact O-N 2.96Å; F297-M300 PolarHBondContact O-N 3.07Å; M300-I303 WeakPolarHBondContact O-CG2 3.34Å; M300-N304 VanDerWaalsContact O-CB 3.28Å; M300-N304 WeakPolarHBondContact O-CB 3.36Å; M300-N304 PolarHBondContact O-N 2.99Å; M300-N304 VanDerWaalsContact O-N 3.12Å; M300-L335 HydrophobicContact CG-CD2 4.26Å; M300-L335 HydrophobicContact SD-CD2 3.83Å
301	K	89.4	Confident	90.8	Very high	39 Å²	39	41.8 Å²	41.8	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-53.3	175.8	-176.7	177.8	-176.4	-171.7	0	110.8	D241 S242 F297 S298 W299 I303 N304 T305	D241-K301 HydrophobicContact CB-CD 4.41Å; D241-K301 IonicContact OD2-NZ 3.03Å; D241-K301 PolarHBondContact OD2-NZ 2.71Å; S242-K301 WeakPolarHBondContact OG-CD 3.46Å; F297-K301 PolarHBondContact O-N 2.94Å; F297-K301 VanDerWaalsContact O-N 3.11Å; S298-K301 PolarHBondContact O-N 3.03Å; W299-K301 PolarHBondContact O-N 3.14Å; K301-I303 PolarHBondContact O-N 2.94Å; K301-N304 PolarHBondContact O-N 3.37Å; K301-T305 PolarHBondContact O-N 3.31Å; K301-T305 PolarHBondContact O-OG1 2.86Å; K301-T305 VanDerWaalsContact O-OG1 3.06Å
302	N	89.9	Confident	90.7	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-47.9	-175.9	-72.6	-19.7	0	0	0	112.4	S298 W299 N304 T305 I306	S298-N302 VanDerWaalsContact O-CB 3.26Å; S298-N302 WeakPolarHBondContact O-CB 3.5Å; S298-N302 PolarHBondContact O-N 3.18Å; S298-N302 PolarHBondContact O-ND2 3.25Å; S298-N302 PolarHBondContact OG-ND2 2.7Å; W299-N302 PolarHBondContact O-N 2.91Å; N302-N304 VanDerWaalsContact C-N 3.34Å; N302-N304 PolarHBondContact O-N 3.47Å; N302-T305 PolarHBondContact O-N 3.41Å; N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 VanDerWaalsContact O-CG1 3.24Å; N302-I306 WeakPolarHBondContact O-CG1 3.45Å; N302-I306 PolarHBondContact O-N 3.04Å
303	I	87.6	Confident	90.6	Very high	31 Å²	31	49.2 Å²	49.2	16%	0.159	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-36.2	-178.7	-168.1	61.9	0	0	0	111.3	W299 M300 K301 I306 L307 M311 L347	W299-I303 HydrophobicContact CD2-CG2 4.45Å; W299-I303 HydrophobicContact CZ2-CG2 4.06Å; W299-I303 VanDerWaalsContact O-CG2 3.26Å; W299-I303 WeakPolarHBondContact O-CG2 3.49Å; W299-I303 PolarHBondContact O-N 3.48Å; M300-I303 WeakPolarHBondContact O-CG2 3.34Å; K301-I303 PolarHBondContact O-N 2.94Å; I303-I306 PolarHBondContact O-N 3.22Å; I303-L307 HydrophobicContact CD1-CD1 4.26Å; I303-L307 HydrophobicContact CD1-CG 4.37Å; I303-L307 HydrophobicContact CG1-CD1 4Å; I303-L307 HydrophobicContact CG1-CG 4.48Å; I303-L307 WeakPolarHBondContact O-CB 3.45Å; I303-L307 VanDerWaalsContact O-CG 3.26Å; I303-L307 WeakPolarHBondContact O-CG 3.36Å; I303-L307 PolarHBondContact O-N 3.42Å; I303-M311 HydrophobicContact CG2-CE 4.15Å; I303-M311 HydrophobicContact CG2-SD 3.26Å; I303-M311 WeakPolarHBondContact CG2-SD 3.4Å; I303-L347 HydrophobicContact CG1-CD1 4.38Å
304	N	89.8	Confident	90.5	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-40.3	175.1	-170.2	50	0	0	0	111.3	M300 K301 N302 L307 G308 G309 M311 V312	M300-N304 VanDerWaalsContact O-CB 3.28Å; M300-N304 WeakPolarHBondContact O-CB 3.36Å; M300-N304 PolarHBondContact O-N 2.99Å; M300-N304 VanDerWaalsContact O-N 3.12Å; K301-N304 PolarHBondContact O-N 3.37Å; N302-N304 VanDerWaalsContact C-N 3.34Å; N302-N304 PolarHBondContact O-N 3.47Å; N304-L307 CarbonylContact O-C 3.43Å; N304-L307 PolarHBondContact O-N 2.77Å; N304-G308 PolarHBondContact O-N 2.95Å; N304-G309 PolarHBondContact O-N 3.4Å; N304-G309 VanDerWaalsContact OD1-CA 3.3Å; N304-G309 WeakPolarHBondContact OD1-CA 3.41Å; N304-M311 HydrophobicContact CB-CB 4.21Å; N304-M311 WeakPolarHBondContact OD1-CB 3.42Å; N304-M311 PolarHBondContact OD1-N 3.37Å; N304-V312 PolarHBondContact OD1-N 3.39Å
305	T	89.6	Confident	90.5	Very high	97 Å²	97	51.8 Å²	51.8	60%	0.595	28%	0.279	S	S	*	.	H	α-helix	trans	-62.2	-48.1	173.1	-58.2	0	0	0	0	111.8	K301 N302 L307 G308	K301-T305 PolarHBondContact O-N 3.31Å; K301-T305 PolarHBondContact O-OG1 2.86Å; K301-T305 VanDerWaalsContact O-OG1 3.06Å; N302-T305 PolarHBondContact O-N 3.41Å; T305-L307 PolarHBondContact O-N 2.77Å; T305-G308 PolarHBondContact O-N 3.25Å
306	I	89.6	Confident	90.5	Very high	133 Å²	133	51.2 Å²	51.2	68%	0.682	28%	0.276	S	S	*	.	H	α-helix	trans	-57.1	-39.4	177.7	-72.1	164.9	0	0	0	110.9	N302 I303 G308	N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 VanDerWaalsContact O-CG1 3.24Å; N302-I306 WeakPolarHBondContact O-CG1 3.45Å; N302-I306 PolarHBondContact O-N 3.04Å; I303-I306 PolarHBondContact O-N 3.22Å; I306-G308 VanDerWaalsContact C-N 3.26Å; I306-G308 PolarHBondContact O-N 3.49Å
307	L	87.7	Confident	90.5	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.356	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	11.3	179.6	-63.2	175.5	0	0	0	113.5	I303 N304 T305 G309 S310 M311	I303-L307 HydrophobicContact CD1-CD1 4.26Å; I303-L307 HydrophobicContact CD1-CG 4.37Å; I303-L307 HydrophobicContact CG1-CD1 4Å; I303-L307 HydrophobicContact CG1-CG 4.48Å; I303-L307 WeakPolarHBondContact O-CB 3.45Å; I303-L307 VanDerWaalsContact O-CG 3.26Å; I303-L307 WeakPolarHBondContact O-CG 3.36Å; I303-L307 PolarHBondContact O-N 3.42Å; N304-L307 CarbonylContact O-C 3.43Å; N304-L307 PolarHBondContact O-N 2.77Å; T305-L307 PolarHBondContact O-N 2.77Å; L307-G309 VanDerWaalsContact C-N 3.3Å; L307-G309 PolarHBondContact O-N 3.23Å; L307-S310 WeakPolarHBondContact O-CB 3.34Å; L307-S310 PolarHBondContact O-N 2.94Å; L307-S310 PolarHBondContact O-OG 3.03Å; L307-M311 HydrophobicContact CD1-CB 4.18Å
308	G	87.3	Confident	90.6	Very high	58 Å²	58	51.5 Å²	51.5	60%	0.598	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	38.4	178	0	0	0	0	0	113.4	N304 T305 I306 S310	N304-G308 PolarHBondContact O-N 2.95Å; T305-G308 PolarHBondContact O-N 3.25Å; I306-G308 VanDerWaalsContact C-N 3.26Å; I306-G308 PolarHBondContact O-N 3.49Å; G308-S310 VanDerWaalsContact C-N 3.27Å; G308-S310 PolarHBondContact O-N 3.11Å
309	G	88.9	Confident	90.7	Very high	20 Å²	20	49.7 Å²	49.7	21%	0.206	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	6.5	-176.6	0	0	0	0	0	114.3	N304 L307 M311 V312 R313	N304-G309 PolarHBondContact O-N 3.4Å; N304-G309 VanDerWaalsContact OD1-CA 3.3Å; N304-G309 WeakPolarHBondContact OD1-CA 3.41Å; L307-G309 VanDerWaalsContact C-N 3.3Å; L307-G309 PolarHBondContact O-N 3.23Å; G309-M311 VanDerWaalsContact C-N 3.33Å; G309-M311 PolarHBondContact O-N 3.39Å; G309-V312 WeakPolarHBondContact O-CG1 3.4Å; G309-R313 WeakPolarHBondContact O-CG 3.36Å; G309-R313 PolarHBondContact O-N 3.47Å; G309-R313 PolarHBondContact O-NE 2.89Å
310	S	88.6	Confident	90.8	Very high	36 Å²	36	50.6 Å²	50.6	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-28.9	-176.8	-53.4	0	0	0	0	112.8	L307 G308 R313 M314	L307-S310 WeakPolarHBondContact O-CB 3.34Å; L307-S310 PolarHBondContact O-N 2.94Å; L307-S310 PolarHBondContact O-OG 3.03Å; G308-S310 VanDerWaalsContact C-N 3.27Å; G308-S310 PolarHBondContact O-N 3.11Å; S310-R313 PolarHBondContact O-N 3.47Å; S310-R313 PolarHBondContact OG-NH2 2.97Å; S310-M314 VanDerWaalsContact O-CG 3.3Å; S310-M314 WeakPolarHBondContact O-CG 3.45Å; S310-M314 PolarHBondContact O-N 2.87Å
311	M	88.9	Confident	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-50.4	179.4	-173.8	-170.4	176.9	0	0	111.6	Y249 W299 I303 N304 L307 G309 R313 M314 W315 F346 L347 I350	Y249-M311 HydrophobicContact CE1-CE 3.98Å; Y249-M311 HydrophobicContact CE1-CG 4.28Å; Y249-M311 HydrophobicContact CE1-SD 4.29Å; Y249-M311 PolarHBondContact OH-SD 3.43Å; W299-M311 HydrophobicContact CH2-CE 3.77Å; W299-M311 HydrophobicContact CZ2-CE 4.47Å; W299-M311 HydrophobicContact CZ3-CE 4.16Å; I303-M311 HydrophobicContact CG2-CE 4.15Å; I303-M311 HydrophobicContact CG2-SD 3.26Å; I303-M311 WeakPolarHBondContact CG2-SD 3.4Å; N304-M311 HydrophobicContact CB-CB 4.21Å; N304-M311 WeakPolarHBondContact OD1-CB 3.42Å; N304-M311 PolarHBondContact OD1-N 3.37Å; L307-M311 HydrophobicContact CD1-CB 4.18Å; G309-M311 VanDerWaalsContact C-N 3.33Å; G309-M311 PolarHBondContact O-N 3.39Å; M311-R313 VanDerWaalsContact C-N 3.29Å; M311-R313 PolarHBondContact O-N 2.92Å; M311-M314 PolarHBondContact O-N 3.21Å; M311-W315 WeakPolarHBondContact O-CB 3.36Å; M311-W315 PolarHBondContact O-N 2.73Å; M311-F346 HydrophobicContact CE-CD1 3.62Å; M311-F346 HydrophobicContact CE-CE1 3.48Å; M311-F346 VanDerWaalsContact CE-CE1 3.48Å; M311-L347 HydrophobicContact CE-CD2 3.98Å; M311-L347 HydrophobicContact CG-CD2 4.25Å; M311-L347 HydrophobicContact SD-CD2 4.2Å; M311-I350 HydrophobicContact CE-CD1 4.12Å; M311-I350 HydrophobicContact CG-CD1 4.35Å
312	V	91	Very high	91.2	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.127	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-33.5	178.7	69.9	0	0	0	0	111.8	E248 Y249 N304 G309 W315 K316	E248-V312 HydrophobicContact CB-CG2 3.58Å; E248-V312 HydrophobicContact CG-CG2 4.31Å; Y249-V312 HydrophobicContact CE2-CB 4.34Å; Y249-V312 HydrophobicContact CE2-CG2 4.25Å; N304-V312 PolarHBondContact OD1-N 3.39Å; G309-V312 WeakPolarHBondContact O-CG1 3.4Å; V312-W315 PolarHBondContact O-N 3.28Å; V312-K316 HydrophobicContact CG2-CD 4.48Å; V312-K316 WeakPolarHBondContact O-CB 3.21Å; V312-K316 WeakPolarHBondContact O-CG 3.36Å; V312-K316 PolarHBondContact O-N 2.89Å
313	R	91.4	Very high	91.3	Very high	162 Å²	162	51.3 Å²	51.3	61%	0.611	30%	0.3	S	S	*	.	H	α-helix	trans	-65.7	-46.3	175.2	-72.1	-174.3	-64.9	174.9	2.6	112.1	G309 S310 M311 W315 K316 G317	G309-R313 WeakPolarHBondContact O-CG 3.36Å; G309-R313 PolarHBondContact O-N 3.47Å; G309-R313 PolarHBondContact O-NE 2.89Å; S310-R313 PolarHBondContact O-N 3.47Å; S310-R313 PolarHBondContact OG-NH2 2.97Å; M311-R313 VanDerWaalsContact C-N 3.29Å; M311-R313 PolarHBondContact O-N 2.92Å; R313-W315 VanDerWaalsContact C-N 3.35Å; R313-K316 PolarHBondContact O-N 3.02Å; R313-G317 PolarHBondContact O-N 3.36Å
314	M	91.6	Very high	91.6	Very high	67 Å²	67	50.3 Å²	50.3	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-43.2	175.3	-69.2	-178.8	-61	0	0	111	S310 M311 K316 G317 A318 I350	S310-M314 VanDerWaalsContact O-CG 3.3Å; S310-M314 WeakPolarHBondContact O-CG 3.45Å; S310-M314 PolarHBondContact O-N 2.87Å; M311-M314 PolarHBondContact O-N 3.21Å; M314-K316 PolarHBondContact O-N 3.42Å; M314-G317 PolarHBondContact O-N 3.17Å; M314-A318 WeakPolarHBondContact O-CB 3.46Å; M314-A318 PolarHBondContact O-N 3.35Å; M314-I350 HydrophobicContact CB-CG2 3.7Å
315	W	94.1	Very high	91.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-52.3	174.4	178.8	-102.6	0	0	0	111.9	Y249 A253 M311 V312 R313 G317 A318 M319 G328 L332 F346 I350	Y249-W315 HydrophobicContact CD1-CB 4.09Å; Y249-W315 AromaticContact CD1-CD1 3.72Å; Y249-W315 AromaticContact CD1-CD2 3.92Å; Y249-W315 HydrophobicContact CD1-CD2 3.92Å; Y249-W315 AromaticContact CD1-CG 3.64Å; Y249-W315 HydrophobicContact CD1-CG 3.64Å; Y249-W315 HydrophobicContact CE1-CB 4.11Å; Y249-W315 HydrophobicContact CE1-CG 4.17Å; Y249-W315 PolarHBondContact O-NE1 3.45Å; A253-W315 HydrophobicContact CB-CZ2 4.09Å; M311-W315 WeakPolarHBondContact O-CB 3.36Å; M311-W315 PolarHBondContact O-N 2.73Å; V312-W315 PolarHBondContact O-N 3.28Å; R313-W315 VanDerWaalsContact C-N 3.35Å; W315-G317 VanDerWaalsContact C-N 3.3Å; W315-G317 PolarHBondContact O-N 3.16Å; W315-A318 WeakPolarHBondContact O-CB 3.38Å; W315-A318 PolarHBondContact O-N 3.11Å; W315-A318 VanDerWaalsContact O-N 3.14Å; W315-M319 HydrophobicContact CD2-CE 3.96Å; W315-M319 HydrophobicContact CE3-CE 3.9Å; W315-M319 HydrophobicContact CH2-CE 3.77Å; W315-M319 HydrophobicContact CZ2-CE 3.78Å; W315-M319 HydrophobicContact CZ2-SD 4.06Å; W315-M319 HydrophobicContact CZ3-CE 3.81Å; W315-M319 WeakPolarHBondContact O-CG 3.32Å; W315-M319 PolarHBondContact O-N 3.03Å; W315-M319 VanDerWaalsContact O-N 3.08Å; W315-G328 WeakPolarHBondContact CH2-O 3.44Å; W315-L332 HydrophobicContact CH2-CD1 4.46Å; W315-L332 HydrophobicContact CH2-CD2 4.25Å; W315-L332 HydrophobicContact CH2-CG 3.97Å; W315-L332 HydrophobicContact CZ2-CD1 3.8Å; W315-L332 HydrophobicContact CZ2-CD2 4.07Å; W315-L332 HydrophobicContact CZ2-CG 3.78Å; W315-F346 HydrophobicContact CE3-CE1 4.47Å; W315-F346 HydrophobicContact CE3-CZ 4.01Å; W315-F346 HydrophobicContact CH2-CE2 4.16Å; W315-F346 AromaticContact CH2-CZ 3.95Å; W315-F346 HydrophobicContact CH2-CZ 3.95Å; W315-F346 HydrophobicContact CZ3-CE1 4.36Å; W315-F346 AromaticContact CZ3-CE2 3.91Å; W315-F346 HydrophobicContact CZ3-CE2 3.91Å; W315-F346 AromaticContact CZ3-CZ 3.55Å; W315-F346 HydrophobicContact CZ3-CZ 3.55Å; W315-I350 HydrophobicContact CB-CD1 4.46Å; W315-I350 HydrophobicContact CE3-CD1 3.65Å; W315-I350 HydrophobicContact CE3-CG1 3.66Å; W315-I350 HydrophobicContact CZ3-CD1 4.28Å; W315-I350 HydrophobicContact CZ3-CG1 4.03Å
316	K	94.6	Very high	92.1	Very high	93 Å²	93	50 Å²	50	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-41.4	177.2	-75.2	176.4	176.1	-172.9	0	112.3	E248 A252 V312 R313 M314 M319	E248-K316 WeakPolarHBondContact OE2-CE 3.42Å; E248-K316 IonicContact OE2-NZ 3.42Å; E248-K316 PolarHBondContact OE2-NZ 3.25Å; A252-K316 HydrophobicContact CB-CG 3.83Å; V312-K316 HydrophobicContact CG2-CD 4.48Å; V312-K316 WeakPolarHBondContact O-CB 3.21Å; V312-K316 WeakPolarHBondContact O-CG 3.36Å; V312-K316 PolarHBondContact O-N 2.89Å; R313-K316 PolarHBondContact O-N 3.02Å; M314-K316 PolarHBondContact O-N 3.42Å; K316-M319 PolarHBondContact O-N 3.46Å
317	G	93.3	Very high	92.2	Very high	36 Å²	36	49.4 Å²	49.4	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.8	0	0	0	0	0	112.8	R313 M314 W315 M319 C357	R313-G317 PolarHBondContact O-N 3.36Å; M314-G317 PolarHBondContact O-N 3.17Å; W315-G317 VanDerWaalsContact C-N 3.3Å; W315-G317 PolarHBondContact O-N 3.16Å; G317-M319 VanDerWaalsContact C-N 3.26Å; G317-M319 PolarHBondContact O-N 2.93Å; G317-C357 PolarHBondContact O-SG 2.7Å
318	A	94.1	Very high	92.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-28.1	177.8	0	0	0	0	0	113.2	M314 W315 C320 T324 M353 C357	M314-A318 WeakPolarHBondContact O-CB 3.46Å; M314-A318 PolarHBondContact O-N 3.35Å; W315-A318 WeakPolarHBondContact O-CB 3.38Å; W315-A318 PolarHBondContact O-N 3.11Å; W315-A318 VanDerWaalsContact O-N 3.14Å; A318-C320 PolarHBondContact O-N 3.28Å; A318-T324 WeakPolarHBondContact O-CB 3.38Å; A318-T324 PolarHBondContact O-OG1 3.01Å; A318-M353 HydrophobicContact CB-CB 3.78Å; A318-C357 PolarHBondContact O-SG 2.95Å
319	M	96.1	Very high	92.7	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.044	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	37.2	177.3	-62.8	-54.6	115	0	0	113.1	A252 A253 W315 K316 G317 R325 M353	A252-M319 HydrophobicContact CB-CB 4.33Å; A252-M319 HydrophobicContact CB-CG 3.95Å; A252-M319 WeakPolarHBondContact O-CB 3.25Å; A252-M319 WeakPolarHBondContact O-CG 3.47Å; A253-M319 HydrophobicContact CB-SD 4.13Å; W315-M319 HydrophobicContact CD2-CE 3.96Å; W315-M319 HydrophobicContact CE3-CE 3.9Å; W315-M319 HydrophobicContact CH2-CE 3.77Å; W315-M319 HydrophobicContact CZ2-CE 3.78Å; W315-M319 HydrophobicContact CZ2-SD 4.06Å; W315-M319 HydrophobicContact CZ3-CE 3.81Å; W315-M319 WeakPolarHBondContact O-CG 3.32Å; W315-M319 PolarHBondContact O-N 3.03Å; W315-M319 VanDerWaalsContact O-N 3.08Å; K316-M319 PolarHBondContact O-N 3.46Å; G317-M319 VanDerWaalsContact C-N 3.26Å; G317-M319 PolarHBondContact O-N 2.93Å; M319-R325 HydrophobicContact CB-CG 3.8Å; M319-R325 HydrophobicContact CG-CG 4.34Å; M319-R325 PolarHBondContact O-NH1 3.04Å; M319-R325 HydrophobicContact SD-CB 4.44Å; M319-R325 HydrophobicContact SD-CG 4Å; M319-M353 HydrophobicContact CE-CE 3.45Å; M319-M353 VanDerWaalsContact CE-CE 3.45Å
320	C	93.6	Very high	92.8	Very high	67 Å²	67	48.2 Å²	48.2	45%	0.453	25%	0.252	S	S	.	.			trans	-77.1	-21.1	-173.8	69	0	0	0	0	115.1	A318 T324 R325 C357	A318-C320 PolarHBondContact O-N 3.28Å; C320-T324 PolarHBondContact N-OG1 3.32Å; C320-R325 VanDerWaalsContact C-NH1 3.29Å; C320-R325 PolarHBondContact O-NH1 3.46Å; C320-C357 HydrophobicContact CB-CB 3.77Å; C320-C357 WeakPolarHBondContact CB-SG 3.24Å; C320-C357 WeakPolarHBondContact SG-CB 3.27Å; C320-C357 CovalentContact SG-SG 2.03Å; C320-C357 PolarHBondContact SG-SG 2.98Å
321	S	93.7	Very high	92.9	Very high	40 Å²	40	47.4 Å²	47.4	28%	0.28	25%	0.245	S	C	.	.	S	Bend	trans	-133.5	164	-175.3	71.5	0	0	0	0	112.1	T323 T324 R325	S321-T323 VanDerWaalsContact C-N 3.28Å; S321-T323 PolarHBondContact O-N 3.2Å; S321-T324 PolarHBondContact N-OG1 3.37Å; S321-T324 VanDerWaalsContact N-OG1 3.08Å; S321-T324 PolarHBondContact O-N 3.37Å; S321-T324 PolarHBondContact O-OG1 3.27Å; S321-T324 PolarHBondContact OG-N 3.18Å; S321-T324 VanDerWaalsContact OG-N 3.1Å; S321-T324 PolarHBondContact OG-OG1 3.27Å; S321-R325 VanDerWaalsContact C-CZ 3.4Å; S321-R325 WeakPolarHBondContact O-CB 3.39Å; S321-R325 WeakPolarHBondContact O-CG 3.5Å; S321-R325 PolarHBondContact O-N 3.15Å
322	V	94.3	Very high	93.1	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-47.4	174.6	-179.9	0	0	0	0	110.4	D205 T324 R325 E326	D205-V322 HydrophobicContact CB-CG1 4.29Å; D205-V322 HydrophobicContact CB-CG2 4Å; V322-T324 PolarHBondContact O-N 3.35Å; V322-R325 PolarHBondContact O-N 2.93Å; V322-E326 WeakPolarHBondContact O-CG 3.49Å; V322-E326 PolarHBondContact O-N 2.9Å
323	T	92.6	Very high	93	Very high	86 Å²	86	49.9 Å²	49.9	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-43.3	-179.5	-50.2	0	0	0	0	112.7	S321 E326 K327	S321-T323 VanDerWaalsContact C-N 3.28Å; S321-T323 PolarHBondContact O-N 3.2Å; T323-E326 PolarHBondContact O-N 3.35Å; T323-K327 PolarHBondContact O-N 2.66Å
324	T	93.5	Very high	92.9	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-32.6	178.2	56.3	0	0	0	0	111.5	A318 C320 S321 V322 K327 G328 M353	A318-T324 WeakPolarHBondContact O-CB 3.38Å; A318-T324 PolarHBondContact O-OG1 3.01Å; C320-T324 PolarHBondContact N-OG1 3.32Å; S321-T324 PolarHBondContact N-OG1 3.37Å; S321-T324 VanDerWaalsContact N-OG1 3.08Å; S321-T324 PolarHBondContact O-N 3.37Å; S321-T324 PolarHBondContact O-OG1 3.27Å; S321-T324 PolarHBondContact OG-N 3.18Å; S321-T324 VanDerWaalsContact OG-N 3.1Å; S321-T324 PolarHBondContact OG-OG1 3.27Å; V322-T324 PolarHBondContact O-N 3.35Å; T324-K327 PolarHBondContact O-N 3.01Å; T324-G328 PolarHBondContact O-N 3.02Å; T324-M353 HydrophobicContact CG2-CE 4.4Å; T324-M353 WeakPolarHBondContact O-CE 3.39Å
325	R	95.6	Very high	92.7	Very high	30 Å²	30	43.3 Å²	43.3	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-38.1	171.9	-75.5	-174.1	-69.4	-89.2	5	113.1	D205 H254 M319 C320 S321 V322 G328 K329	D205-R325 IonicContact OD1-CZ 3.66Å; D205-R325 IonicContact OD1-NE 2.96Å; D205-R325 PolarHBondContact OD1-NE 3.49Å; D205-R325 IonicContact OD1-NH2 2.66Å; D205-R325 IonicContact OD2-CZ 2.92Å; D205-R325 VanDerWaalsContact OD2-CZ 3.25Å; D205-R325 IonicContact OD2-NE 3.9Å; D205-R325 PolarHBondContact OD2-NE 3.4Å; D205-R325 VanDerWaalsContact OD2-NE 3.15Å; D205-R325 IonicContact OD2-NH2 3.82Å; D205-R325 PolarHBondContact OD2-NH2 2.97Å; H254-R325 WeakPolarHBondContact ND1-CD 3.31Å; H254-R325 PolarHBondContact ND1-NE 2.91Å; M319-R325 HydrophobicContact CB-CG 3.8Å; M319-R325 HydrophobicContact CG-CG 4.34Å; M319-R325 PolarHBondContact O-NH1 3.04Å; M319-R325 HydrophobicContact SD-CB 4.44Å; M319-R325 HydrophobicContact SD-CG 4Å; C320-R325 VanDerWaalsContact C-NH1 3.29Å; C320-R325 PolarHBondContact O-NH1 3.46Å; S321-R325 VanDerWaalsContact C-CZ 3.4Å; S321-R325 WeakPolarHBondContact O-CB 3.39Å; S321-R325 WeakPolarHBondContact O-CG 3.5Å; S321-R325 PolarHBondContact O-N 3.15Å; V322-R325 PolarHBondContact O-N 2.93Å; R325-G328 PolarHBondContact O-N 3.02Å; R325-K329 VanDerWaalsContact O-CE 3.31Å; R325-K329 WeakPolarHBondContact O-CE 3.15Å; R325-K329 WeakPolarHBondContact O-CG 3.47Å; R325-K329 PolarHBondContact O-N 2.9Å
326	E	92.7	Very high	92.3	Very high	84 Å²	84	44 Å²	44	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-58.2	-52.6	171.6	-74.6	173.8	171.3	0	0	111.8	V322 T323 G328 K329 D330	V322-E326 WeakPolarHBondContact O-CG 3.49Å; V322-E326 PolarHBondContact O-N 2.9Å; T323-E326 PolarHBondContact O-N 3.35Å; E326-G328 VanDerWaalsContact C-N 3.26Å; E326-G328 PolarHBondContact O-N 2.88Å; E326-K329 WeakPolarHBondContact O-CB 3.3Å; E326-K329 PolarHBondContact O-N 3.39Å; E326-K329 VanDerWaalsContact O-N 3.14Å; E326-D330 PolarHBondContact O-N 3.23Å
327	K	92.2	Very high	91.8	Very high	121 Å²	121	42.6 Å²	42.6	53%	0.526	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-39.2	174.6	-67.1	179.3	180	-177.5	0	112.5	T323 T324 K329 D330 L331 M353	T323-K327 PolarHBondContact O-N 2.66Å; T324-K327 PolarHBondContact O-N 3.01Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 2.97Å; K327-D330 PolarHBondContact O-N 3.41Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.33Å; K327-L331 PolarHBondContact O-N 3Å; K327-M353 HydrophobicContact CB-CE 4Å; K327-M353 HydrophobicContact CB-SD 4.31Å
328	G	93.3	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-42.7	176.8	0	0	0	0	0	112.7	W315 T324 R325 E326 L331 L332	W315-G328 WeakPolarHBondContact CH2-O 3.44Å; T324-G328 PolarHBondContact O-N 3.02Å; R325-G328 PolarHBondContact O-N 3.02Å; E326-G328 VanDerWaalsContact C-N 3.26Å; E326-G328 PolarHBondContact O-N 2.88Å; G328-L331 PolarHBondContact O-N 2.81Å; G328-L332 WeakPolarHBondContact O-CG 3.26Å; G328-L332 PolarHBondContact O-N 3.42Å
329	K	92.8	Very high	90.5	Very high	24 Å²	24	47.2 Å²	47.2	10%	0.104	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175.9	-71.2	175	-74.8	-121.7	0	111.5	A253 F255 R325 E326 K327 L331 L332 E333	A253-K329 HydrophobicContact CB-CG 3.98Å; A253-K329 WeakPolarHBondContact O-CG 3.39Å; A253-K329 PolarHBondContact O-NZ 3.46Å; F255-K329 HydrophobicContact CD2-CG 4.16Å; R325-K329 VanDerWaalsContact O-CE 3.31Å; R325-K329 WeakPolarHBondContact O-CE 3.15Å; R325-K329 WeakPolarHBondContact O-CG 3.47Å; R325-K329 PolarHBondContact O-N 2.9Å; E326-K329 WeakPolarHBondContact O-CB 3.3Å; E326-K329 PolarHBondContact O-N 3.39Å; E326-K329 VanDerWaalsContact O-N 3.14Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 2.97Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.06Å; K329-L332 PolarHBondContact O-N 2.9Å; K329-E333 PolarHBondContact O-N 3.31Å
330	D	91	Very high	89.7	Confident	97 Å²	97	51.7 Å²	51.7	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-39.3	178.2	-62.2	-14.1	0	0	0	111.7	E326 K327 E333 Q334	E326-D330 PolarHBondContact O-N 3.23Å; K327-D330 PolarHBondContact O-N 3.41Å; D330-E333 PolarHBondContact O-N 3.21Å; D330-Q334 WeakPolarHBondContact O-CB 3.26Å; D330-Q334 VanDerWaalsContact O-CG 3.28Å; D330-Q334 WeakPolarHBondContact O-CG 3.26Å; D330-Q334 PolarHBondContact O-N 3.44Å
331	L	91.6	Very high	89.1	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-39.9	176.1	-73.4	171.1	0	0	0	112.5	K327 G328 K329 L335 F341 F346 F349 M353	K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.33Å; K327-L331 PolarHBondContact O-N 3Å; G328-L331 PolarHBondContact O-N 2.81Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.06Å; L331-L335 VanDerWaalsContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 PolarHBondContact O-N 3.32Å; L331-F341 HydrophobicContact CD2-CZ 3.91Å; L331-F346 HydrophobicContact CB-CD2 4.16Å; L331-F346 HydrophobicContact CB-CE2 3.87Å; L331-F349 HydrophobicContact CD1-CB 3.74Å; L331-F349 HydrophobicContact CD1-CG 4.31Å; L331-F349 HydrophobicContact CD2-CB 4.12Å; L331-F349 HydrophobicContact CD2-CD2 3.43Å; L331-F349 VanDerWaalsContact CD2-CD2 3.43Å; L331-F349 HydrophobicContact CD2-CE2 3.99Å; L331-F349 HydrophobicContact CD2-CG 3.88Å; L331-M353 HydrophobicContact CD1-SD 3.65Å
332	L	91.4	Very high	88.4	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.5	-71.8	174.6	0	0	0	111.5	V250 A253 F265 W315 G328 K329 L335 L336 F346	V250-L332 HydrophobicContact CG2-CD1 4.44Å; A253-L332 HydrophobicContact CB-CD1 3.97Å; F265-L332 HydrophobicContact CE1-CB 4.37Å; F265-L332 HydrophobicContact CZ-CB 4.37Å; W315-L332 HydrophobicContact CH2-CD1 4.46Å; W315-L332 HydrophobicContact CH2-CD2 4.25Å; W315-L332 HydrophobicContact CH2-CG 3.97Å; W315-L332 HydrophobicContact CZ2-CD1 3.8Å; W315-L332 HydrophobicContact CZ2-CD2 4.07Å; W315-L332 HydrophobicContact CZ2-CG 3.78Å; G328-L332 WeakPolarHBondContact O-CG 3.26Å; G328-L332 PolarHBondContact O-N 3.42Å; K329-L332 PolarHBondContact O-N 2.9Å; L332-L335 PolarHBondContact O-N 3.07Å; L332-L336 PolarHBondContact O-N 3.34Å; L332-L336 VanDerWaalsContact O-N 3.16Å; L332-F346 HydrophobicContact CD2-CE2 4.32Å; L332-F346 HydrophobicContact CD2-CZ 4.02Å
333	E	90.2	Very high	87.7	Confident	64 Å²	64	52.3 Å²	52.3	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-48.5	176.5	-171.7	176.7	138.5	0	0	111	F265 K329 D330 L335 L336 T337	F265-E333 HydrophobicContact CE2-CB 4.44Å; F265-E333 HydrophobicContact CZ-CB 4.18Å; K329-E333 PolarHBondContact O-N 3.31Å; D330-E333 PolarHBondContact O-N 3.21Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.37Å; E333-L336 PolarHBondContact O-N 3.28Å; E333-T337 HydrophobicContact CG-CG2 4.31Å; E333-T337 WeakPolarHBondContact O-CB 3.28Å; E333-T337 WeakPolarHBondContact O-CG2 3.42Å; E333-T337 PolarHBondContact O-N 3.18Å; E333-T337 PolarHBondContact O-OG1 2.88Å
334	Q	89	Confident	86.8	Confident	85 Å²	85	51.4 Å²	51.4	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-45.1	176.3	-73.3	-77.4	3.6	0	0	111.7	D330 L336 N338 F341	D330-Q334 WeakPolarHBondContact O-CB 3.26Å; D330-Q334 VanDerWaalsContact O-CG 3.28Å; D330-Q334 WeakPolarHBondContact O-CG 3.26Å; D330-Q334 PolarHBondContact O-N 3.44Å; Q334-L336 PolarHBondContact O-N 2.91Å; Q334-N338 VanDerWaalsContact O-CB 3.27Å; Q334-N338 WeakPolarHBondContact O-CB 3.36Å; Q334-N338 PolarHBondContact O-N 3.47Å; Q334-N338 PolarHBondContact OE1-ND2 3.48Å; Q334-F341 HydrophobicContact CB-CD2 3.82Å; Q334-F341 HydrophobicContact CB-CE2 3.95Å; Q334-F341 HydrophobicContact CB-CG 4.12Å; Q334-F341 HydrophobicContact CB-CZ 4.36Å
335	L	88	Confident	86.2	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-38.3	179.9	180	65.9	0	0	0	112.2	I296 W299 M300 L331 L332 E333 F341 T343 F346	I296-L335 HydrophobicContact CD1-CD1 4.02Å; I296-L335 HydrophobicContact CG2-CD1 4.3Å; I296-L335 HydrophobicContact CG2-CD2 4.08Å; I296-L335 HydrophobicContact CG2-CG 3.8Å; W299-L335 HydrophobicContact CE3-CD1 4.36Å; W299-L335 HydrophobicContact CZ3-CD1 3.86Å; W299-L335 HydrophobicContact CZ3-CD2 3.93Å; M300-L335 HydrophobicContact CG-CD2 4.26Å; M300-L335 HydrophobicContact SD-CD2 3.83Å; L331-L335 VanDerWaalsContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 PolarHBondContact O-N 3.32Å; L332-L335 PolarHBondContact O-N 3.07Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.37Å; L335-F341 HydrophobicContact CB-CD1 4.37Å; L335-F341 HydrophobicContact CD1-CD1 4.23Å; L335-T343 HydrophobicContact CD1-CG2 4.11Å; L335-F346 HydrophobicContact CB-CD2 4.32Å; L335-F346 HydrophobicContact CB-CE2 4.46Å; L335-F346 HydrophobicContact CD2-CD1 4.35Å; L335-F346 HydrophobicContact CD2-CD2 4.09Å; L335-F346 HydrophobicContact CD2-CE1 4.21Å; L335-F346 HydrophobicContact CD2-CE2 3.98Å; L335-F346 HydrophobicContact CD2-CG 4.28Å; L335-F346 HydrophobicContact CD2-CZ 4.05Å
336	L	84.6	Confident	85.5	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-85.6	-41.9	-176.7	-168	67.7	0	0	0	113.1	F265 P268 N292 S293 F297 L332 E333 Q334	F265-L336 HydrophobicContact CB-CD2 3.98Å; F265-L336 HydrophobicContact CD1-CD2 3.3Å; F265-L336 HydrophobicContact CE1-CB 4.49Å; F265-L336 HydrophobicContact CE1-CD2 3.88Å; F265-L336 HydrophobicContact CG-CD2 3.74Å; P268-L336 HydrophobicContact CG-CD2 4.29Å; P268-L336 HydrophobicContact CG-CG 4.44Å; N292-L336 PolarHBondContact ND2-O 3.26Å; S293-L336 WeakPolarHBondContact OG-CD1 3.25Å; F297-L336 HydrophobicContact CE2-CD1 4.39Å; L332-L336 PolarHBondContact O-N 3.34Å; L332-L336 VanDerWaalsContact O-N 3.16Å; E333-L336 PolarHBondContact O-N 3.28Å; Q334-L336 PolarHBondContact O-N 2.91Å
337	T	83.4	Confident	84.9	Confident	64 Å²	64	49.7 Å²	49.7	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-97.5	-16.2	-167.5	63.9	0	0	0	0	114.2	E333 P339	E333-T337 HydrophobicContact CG-CG2 4.31Å; E333-T337 WeakPolarHBondContact O-CB 3.28Å; E333-T337 WeakPolarHBondContact O-CG2 3.42Å; E333-T337 PolarHBondContact O-N 3.18Å; E333-T337 PolarHBondContact O-OG1 2.88Å; T337-P339 WeakPolarHBondContact O-CD 3.3Å
338	N	83.6	Confident	84.4	Confident	55 Å²	55	47.5 Å²	47.5	29%	0.294	29%	0.285	S	S	.	.			trans	-111.6	98.1	-179.6	-179.2	-4.4	0	0	0	110.3	Q334 S340 F341	Q334-N338 VanDerWaalsContact O-CB 3.27Å; Q334-N338 WeakPolarHBondContact O-CB 3.36Å; Q334-N338 PolarHBondContact O-N 3.47Å; Q334-N338 PolarHBondContact OE1-ND2 3.48Å; N338-S340 PolarHBondContact O-N 3.49Å; N338-S340 WeakPolarHBondContact OD1-CA 3.47Å; N338-S340 WeakPolarHBondContact OD1-CB 3.35Å; N338-S340 PolarHBondContact OD1-N 2.9Å; N338-F341 HydrophobicContact CB-CB 4.03Å; N338-F341 VanDerWaalsContact O-CB 3.24Å; N338-F341 WeakPolarHBondContact O-CB 3.45Å; N338-F341 PolarHBondContact O-N 3.12Å; N338-F341 PolarHBondContact OD1-N 3.44Å
339	P	77.5	Confident	83.9	Confident	78 Å²	78	51.2 Å²	51.2	51%	0.506	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.2	179	-23.8	33.8	0	0	0	114.4	T337	T337-P339 WeakPolarHBondContact O-CD 3.3Å
340	S	79.9	Confident	83.5	Confident	103 Å²	103	50.1 Å²	50.1	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.6	176.7	-56.3	0	0	0	0	113.1	N338 P342	N338-S340 PolarHBondContact O-N 3.49Å; N338-S340 WeakPolarHBondContact OD1-CA 3.47Å; N338-S340 WeakPolarHBondContact OD1-CB 3.35Å; N338-S340 PolarHBondContact OD1-N 2.9Å; S340-P342 VanDerWaalsContact O-CD 3.23Å; S340-P342 WeakPolarHBondContact O-CD 3.43Å
341	F	81	Confident	83	Confident	33 Å²	33	49.3 Å²	49.3	15%	0.145	30%	0.295	C	S	.	.	S	Bend	trans	-68.5	117	178.5	-171	-100.9	0	0	0	109.8	L331 Q334 L335 N338 T343 F346 F349	L331-F341 HydrophobicContact CD2-CZ 3.91Å; Q334-F341 HydrophobicContact CB-CD2 3.82Å; Q334-F341 HydrophobicContact CB-CE2 3.95Å; Q334-F341 HydrophobicContact CB-CG 4.12Å; Q334-F341 HydrophobicContact CB-CZ 4.36Å; L335-F341 HydrophobicContact CB-CD1 4.37Å; L335-F341 HydrophobicContact CD1-CD1 4.23Å; N338-F341 HydrophobicContact CB-CB 4.03Å; N338-F341 VanDerWaalsContact O-CB 3.24Å; N338-F341 WeakPolarHBondContact O-CB 3.45Å; N338-F341 PolarHBondContact O-N 3.12Å; N338-F341 PolarHBondContact OD1-N 3.44Å; F341-T343 PolarHBondContact O-N 2.94Å; F341-F346 HydrophobicContact CE1-CB 3.99Å; F341-F346 HydrophobicContact CE1-CD2 4.23Å; F341-F349 HydrophobicContact CE2-CE2 4.36Å; F341-F349 HydrophobicContact CZ-CD2 4.21Å; F341-F349 HydrophobicContact CZ-CE2 4.09Å
342	P	77.3	Confident	82.5	Confident	69 Å²	69	54.3 Å²	54.3	45%	0.448	32%	0.318	S	S	.	.			trans	-70.6	125.4	-177.2	-15.9	30.5	0	0	0	110.1	S340 A344 S345 F346	S340-P342 VanDerWaalsContact O-CD 3.23Å; S340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-A344 PolarHBondContact O-N 2.88Å; P342-A344 VanDerWaalsContact O-N 3.14Å; P342-S345 WeakPolarHBondContact O-CA 3.5Å; P342-S345 VanDerWaalsContact O-CB 3.24Å; P342-S345 WeakPolarHBondContact O-CB 3.24Å; P342-S345 PolarHBondContact O-N 2.98Å; P342-F346 PolarHBondContact O-N 2.89Å
343	T	79.9	Confident	82.1	Confident	46 Å²	46	54.6 Å²	54.6	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-27.6	173.6	52.2	0	0	0	0	112.6	I296 W299 L335 F341 S345 F346 L347	I296-T343 HydrophobicContact CD1-CG2 4.11Å; W299-T343 HydrophobicContact CD2-CG2 3.62Å; W299-T343 VanDerWaalsContact CE2-CB 3.46Å; W299-T343 HydrophobicContact CE3-CG2 3.76Å; W299-T343 HydrophobicContact CG-CG2 4.15Å; W299-T343 HydrophobicContact CH2-CG2 4.19Å; W299-T343 VanDerWaalsContact CZ2-CB 3.47Å; W299-T343 HydrophobicContact CZ2-CG2 4.1Å; W299-T343 HydrophobicContact CZ3-CG2 4.04Å; L335-T343 HydrophobicContact CD1-CG2 4.11Å; F341-T343 PolarHBondContact O-N 2.94Å; T343-S345 VanDerWaalsContact C-N 3.35Å; T343-F346 WeakPolarHBondContact O-CB 3.46Å; T343-F346 PolarHBondContact O-N 3.39Å; T343-L347 PolarHBondContact O-N 3.03Å
344	A	75.1	Confident	81.7	Confident	68 Å²	68	53.7 Å²	53.7	56%	0.562	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-35.9	170.8	0	0	0	0	0	113	P342 F346 L347 S348	P342-A344 PolarHBondContact O-N 2.88Å; P342-A344 VanDerWaalsContact O-N 3.14Å; A344-F346 VanDerWaalsContact C-N 3.33Å; A344-L347 PolarHBondContact O-N 3.29Å; A344-S348 PolarHBondContact O-N 2.86Å; A344-S348 VanDerWaalsContact O-N 3.08Å
345	S	80.3	Confident	81.2	Confident	40 Å²	40	55 Å²	55	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-40.1	174.1	-59.5	0	0	0	0	110.6	P342 T343 L347 S348 F349	P342-S345 WeakPolarHBondContact O-CA 3.5Å; P342-S345 VanDerWaalsContact O-CB 3.24Å; P342-S345 WeakPolarHBondContact O-CB 3.24Å; P342-S345 PolarHBondContact O-N 2.98Å; T343-S345 VanDerWaalsContact C-N 3.35Å; S345-L347 PolarHBondContact O-N 3.14Å; S345-S348 WeakPolarHBondContact O-CB 3.33Å; S345-S348 PolarHBondContact O-N 3.17Å; S345-F349 WeakPolarHBondContact O-CD2 2.96Å; S345-F349 WeakPolarHBondContact O-CG 3.24Å; S345-F349 PolarHBondContact O-N 3.21Å
346	F	81.6	Confident	80.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-54.5	-50.2	174	-166	-105.8	0	0	0	111.7	W299 M311 W315 L331 L332 L335 F341 P342 T343 A344 S348 F349 I350	W299-F346 HydrophobicContact CH2-CB 4.21Å; W299-F346 AromaticContact CH2-CD1 3.82Å; W299-F346 HydrophobicContact CH2-CD1 3.82Å; W299-F346 HydrophobicContact CH2-CG 4.36Å; W299-F346 HydrophobicContact CZ3-CD1 4.21Å; M311-F346 HydrophobicContact CE-CD1 3.62Å; M311-F346 HydrophobicContact CE-CE1 3.48Å; M311-F346 VanDerWaalsContact CE-CE1 3.48Å; W315-F346 HydrophobicContact CE3-CE1 4.47Å; W315-F346 HydrophobicContact CE3-CZ 4.01Å; W315-F346 HydrophobicContact CH2-CE2 4.16Å; W315-F346 AromaticContact CH2-CZ 3.95Å; W315-F346 HydrophobicContact CH2-CZ 3.95Å; W315-F346 HydrophobicContact CZ3-CE1 4.36Å; W315-F346 AromaticContact CZ3-CE2 3.91Å; W315-F346 HydrophobicContact CZ3-CE2 3.91Å; W315-F346 AromaticContact CZ3-CZ 3.55Å; W315-F346 HydrophobicContact CZ3-CZ 3.55Å; L331-F346 HydrophobicContact CB-CD2 4.16Å; L331-F346 HydrophobicContact CB-CE2 3.87Å; L332-F346 HydrophobicContact CD2-CE2 4.32Å; L332-F346 HydrophobicContact CD2-CZ 4.02Å; L335-F346 HydrophobicContact CB-CD2 4.32Å; L335-F346 HydrophobicContact CB-CE2 4.46Å; L335-F346 HydrophobicContact CD2-CD1 4.35Å; L335-F346 HydrophobicContact CD2-CD2 4.09Å; L335-F346 HydrophobicContact CD2-CE1 4.21Å; L335-F346 HydrophobicContact CD2-CE2 3.98Å; L335-F346 HydrophobicContact CD2-CG 4.28Å; L335-F346 HydrophobicContact CD2-CZ 4.05Å; F341-F346 HydrophobicContact CE1-CB 3.99Å; F341-F346 HydrophobicContact CE1-CD2 4.23Å; P342-F346 PolarHBondContact O-N 2.89Å; T343-F346 WeakPolarHBondContact O-CB 3.46Å; T343-F346 PolarHBondContact O-N 3.39Å; A344-F346 VanDerWaalsContact C-N 3.33Å; F346-S348 VanDerWaalsContact C-N 3.34Å; F346-S348 PolarHBondContact O-N 3.45Å; F346-F349 PolarHBondContact O-N 3.48Å; F346-I350 HydrophobicContact CD1-CD1 3.76Å; F346-I350 HydrophobicContact CD1-CG1 4.36Å; F346-I350 HydrophobicContact CE1-CD1 3.49Å; F346-I350 VanDerWaalsContact CE1-CD1 3.49Å; F346-I350 HydrophobicContact CE1-CG1 4.28Å; F346-I350 HydrophobicContact CZ-CD1 4.21Å; F346-I350 WeakPolarHBondContact O-CG1 3.48Å; F346-I350 PolarHBondContact O-N 3.42Å
347	L	79.4	Confident	80	Confident	49 Å²	49	62 Å²	62	26%	0.257	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-39.1	178.8	-66	173.9	0	0	0	113	W299 I303 M311 T343 A344 S345 I350 T351	W299-L347 HydrophobicContact CZ2-CD1 4.32Å; W299-L347 HydrophobicContact CZ2-CD2 4.47Å; W299-L347 HydrophobicContact CZ2-CG 4.19Å; I303-L347 HydrophobicContact CG1-CD1 4.38Å; M311-L347 HydrophobicContact CE-CD2 3.98Å; M311-L347 HydrophobicContact CG-CD2 4.25Å; M311-L347 HydrophobicContact SD-CD2 4.2Å; T343-L347 PolarHBondContact O-N 3.03Å; A344-L347 PolarHBondContact O-N 3.29Å; S345-L347 PolarHBondContact O-N 3.14Å; L347-I350 PolarHBondContact O-N 3.32Å; L347-T351 PolarHBondContact O-N 3.41Å; L347-T351 VanDerWaalsContact O-N 3.17Å; L347-T351 PolarHBondContact O-OG1 3.48Å
348	S	81.9	Confident	79.8	Confident	74 Å²	74	62 Å²	62	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-46.5	175.1	-171	0	0	0	0	111.2	A344 S345 F346 I350 T351 E352	A344-S348 PolarHBondContact O-N 2.86Å; A344-S348 VanDerWaalsContact O-N 3.08Å; S345-S348 WeakPolarHBondContact O-CB 3.33Å; S345-S348 PolarHBondContact O-N 3.17Å; F346-S348 VanDerWaalsContact C-N 3.34Å; F346-S348 PolarHBondContact O-N 3.45Å; S348-I350 PolarHBondContact O-N 3.01Å; S348-T351 WeakPolarHBondContact O-CB 3.26Å; S348-T351 PolarHBondContact O-N 3.31Å; S348-E352 PolarHBondContact O-N 3.4Å
349	F	83.3	Confident	79.6	Confident	79 Å²	79	62.3 Å²	62.3	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-39.7	179	-71	-56.4	0	0	0	112.5	L331 F341 S345 F346 T351 E352 M353	L331-F349 HydrophobicContact CD1-CB 3.74Å; L331-F349 HydrophobicContact CD1-CG 4.31Å; L331-F349 HydrophobicContact CD2-CB 4.12Å; L331-F349 HydrophobicContact CD2-CD2 3.43Å; L331-F349 VanDerWaalsContact CD2-CD2 3.43Å; L331-F349 HydrophobicContact CD2-CE2 3.99Å; L331-F349 HydrophobicContact CD2-CG 3.88Å; F341-F349 HydrophobicContact CE2-CE2 4.36Å; F341-F349 HydrophobicContact CZ-CD2 4.21Å; F341-F349 HydrophobicContact CZ-CE2 4.09Å; S345-F349 WeakPolarHBondContact O-CD2 2.96Å; S345-F349 WeakPolarHBondContact O-CG 3.24Å; S345-F349 PolarHBondContact O-N 3.21Å; F346-F349 PolarHBondContact O-N 3.48Å; F349-T351 VanDerWaalsContact C-N 3.28Å; F349-T351 PolarHBondContact O-N 2.92Å; F349-E352 PolarHBondContact O-N 3.32Å; F349-M353 WeakPolarHBondContact O-CB 3.49Å; F349-M353 WeakPolarHBondContact O-CG 3.23Å; F349-M353 PolarHBondContact O-N 3.36Å
350	I	83.3	Confident	79.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-57.2	-46.8	174	-65.5	-176	0	0	0	110.7	M311 M314 W315 F346 L347 S348 M353 T354	M311-I350 HydrophobicContact CE-CD1 4.12Å; M311-I350 HydrophobicContact CG-CD1 4.35Å; M314-I350 HydrophobicContact CB-CG2 3.7Å; W315-I350 HydrophobicContact CB-CD1 4.46Å; W315-I350 HydrophobicContact CE3-CD1 3.65Å; W315-I350 HydrophobicContact CE3-CG1 3.66Å; W315-I350 HydrophobicContact CZ3-CD1 4.28Å; W315-I350 HydrophobicContact CZ3-CG1 4.03Å; F346-I350 HydrophobicContact CD1-CD1 3.76Å; F346-I350 HydrophobicContact CD1-CG1 4.36Å; F346-I350 HydrophobicContact CE1-CD1 3.49Å; F346-I350 VanDerWaalsContact CE1-CD1 3.49Å; F346-I350 HydrophobicContact CE1-CG1 4.28Å; F346-I350 HydrophobicContact CZ-CD1 4.21Å; F346-I350 WeakPolarHBondContact O-CG1 3.48Å; F346-I350 PolarHBondContact O-N 3.42Å; L347-I350 PolarHBondContact O-N 3.32Å; S348-I350 PolarHBondContact O-N 3.01Å; I350-M353 PolarHBondContact O-N 3.23Å; I350-T354 WeakPolarHBondContact O-CB 3.37Å; I350-T354 PolarHBondContact O-N 2.88Å; I350-T354 PolarHBondContact O-OG1 3.28Å
351	T	80.7	Confident	79.7	Confident	80 Å²	80	59 Å²	59	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-46.2	-177.9	-53.6	0	0	0	0	110.7	L347 S348 F349 T354 T355	L347-T351 PolarHBondContact O-N 3.41Å; L347-T351 VanDerWaalsContact O-N 3.17Å; L347-T351 PolarHBondContact O-OG1 3.48Å; S348-T351 WeakPolarHBondContact O-CB 3.26Å; S348-T351 PolarHBondContact O-N 3.31Å; F349-T351 VanDerWaalsContact C-N 3.28Å; F349-T351 PolarHBondContact O-N 2.92Å; T351-T354 PolarHBondContact O-N 3.41Å; T351-T355 PolarHBondContact O-N 3.2Å
352	E	81.8	Confident	79.7	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-61.3	-49.1	177	-173.9	-176	167.1	0	0	111.7	S348 F349 T354 T355	S348-E352 PolarHBondContact O-N 3.4Å; F349-E352 PolarHBondContact O-N 3.32Å; E352-T354 PolarHBondContact O-N 2.99Å; E352-T355 PolarHBondContact O-N 3.4Å; E352-T355 PolarHBondContact O-OG1 3Å
353	M	83.3	Confident	79.8	Confident	16 Å²	16	60.1 Å²	60.1	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-30.7	-179.8	-69.7	175	62.9	0	0	112.8	A318 M319 T324 K327 L331 F349 I350 T355 A356	A318-M353 HydrophobicContact CB-CB 3.78Å; M319-M353 HydrophobicContact CE-CE 3.45Å; M319-M353 VanDerWaalsContact CE-CE 3.45Å; T324-M353 HydrophobicContact CG2-CE 4.4Å; T324-M353 WeakPolarHBondContact O-CE 3.39Å; K327-M353 HydrophobicContact CB-CE 4Å; K327-M353 HydrophobicContact CB-SD 4.31Å; L331-M353 HydrophobicContact CD1-SD 3.65Å; F349-M353 WeakPolarHBondContact O-CB 3.49Å; F349-M353 WeakPolarHBondContact O-CG 3.23Å; F349-M353 PolarHBondContact O-N 3.36Å; I350-M353 PolarHBondContact O-N 3.23Å; M353-T355 PolarHBondContact O-N 3.08Å; M353-A356 PolarHBondContact O-N 3.4Å
354	T	80.8	Confident	79.8	Confident	45 Å²	45	61.1 Å²	61.1	28%	0.276	38%	0.38	S	S	.	.	H	α-helix	trans	-65.1	-28.1	175.5	-53.4	0	0	0	0	111.8	I350 T351 E352 A356 C357	I350-T354 WeakPolarHBondContact O-CB 3.37Å; I350-T354 PolarHBondContact O-N 2.88Å; I350-T354 PolarHBondContact O-OG1 3.28Å; T351-T354 PolarHBondContact O-N 3.41Å; E352-T354 PolarHBondContact O-N 2.99Å; T354-A356 VanDerWaalsContact C-N 3.31Å; T354-C357 CarbonylContact O-C 3.53Å; T354-C357 PolarHBondContact O-N 2.69Å
355	T	78.9	Confident	80.2	Confident	112 Å²	112	60.5 Å²	60.5	69%	0.687	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.2	177	66.6	0	0	0	0	114.2	T351 E352 M353	T351-T355 PolarHBondContact O-N 3.2Å; E352-T355 PolarHBondContact O-N 3.4Å; E352-T355 PolarHBondContact O-OG1 3Å; M353-T355 PolarHBondContact O-N 3.08Å
356	A	73.9	Confident	80.2	Confident	76 Å²	76	62.3 Å²	62.3	63%	0.628	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.1	172.1	0	0	0	0	0	112.3	M353 T354	M353-A356 PolarHBondContact O-N 3.4Å; T354-A356 VanDerWaalsContact C-N 3.31Å
357	C	73.2	Confident	80	Confident	92 Å²	92	67.9 Å²	67.9	62%	0.622	41%	0.408	S	S	*	.			trans	-115.2	0	168.4	-51	0	0	0	0	107.6	G317 A318 C320 T354	G317-C357 PolarHBondContact O-SG 2.7Å; A318-C357 PolarHBondContact O-SG 2.95Å; C320-C357 HydrophobicContact CB-CB 3.77Å; C320-C357 WeakPolarHBondContact CB-SG 3.24Å; C320-C357 WeakPolarHBondContact SG-CB 3.27Å; C320-C357 CovalentContact SG-SG 2.03Å; C320-C357 PolarHBondContact SG-SG 2.98Å; T354-C357 CarbonylContact O-C 3.53Å; T354-C357 PolarHBondContact O-N 2.69Å

Retrieved 357 of 357 residues in 520.2 ms (Link to these results)

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