A0A087XT93_POEFO Loading...

Deoxynucleoside triphosphate triphosphohydrolase SAMHD1

AlphaFold DB , UniProt , Accession A0A087XT93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 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	37.8	Very low	35.9	Very low	247 Å²	247	160 Å²	160	100%	1.217	88%	0.877	S	S	*	*				0	116.6	0	-81.5	179.4	175	0	0	108.9
2	A	32.4	Very low	35.4	Very low	97 Å²	97	154.8 Å²	154.8	80%	0.802	87%	0.871	S	S	*	*			trans	30.2	108.2	163.8	0	0	0	0	0	121.1
3	S	36.9	Very low	35	Very low	105 Å²	105	151.5 Å²	151.5	73%	0.734	86%	0.864	S	S	*	*			trans	-59.7	137.9	153	60.6	0	0	0	0	112
4	R	36.6	Very low	35.4	Very low	255 Å²	255	148.1 Å²	148.1	96%	0.962	85%	0.854	S	S	*	*			trans	-110.8	92.6	160	-84.5	-176.9	172.2	175.1	-1.6	109.8
5	K	39.2	Very low	35.5	Very low	196 Å²	196	148.4 Å²	148.4	85%	0.852	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-69.7	134.4	159.7	-74.2	179.8	173.8	-179.3	0	108.5
6	R	34.1	Very low	35.1	Very low	235 Å²	235	150.6 Å²	150.6	89%	0.887	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-78.1	146	163.8	-79	-178.6	-179.9	174.4	-0.2	109.2
7	P	36	Very low	34.9	Very low	130 Å²	130	152 Å²	152	84%	0.844	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-78.5	135	177.4	14.8	-1.5	0	0	0	110.6
8	M	35.2	Very low	34.5	Very low	192 Å²	192	155.3 Å²	155.3	95%	0.946	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-85	119.9	162.7	-77.2	-153.5	-81.1	0	0	108.8
9	G	33.4	Very low	34.3	Very low	64 Å²	64	156.7 Å²	156.7	66%	0.66	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-90.8	165.3	164.5	0	0	0	0	0	111.3
10	P	32.5	Very low	34	Very low	129 Å²	129	155.3 Å²	155.3	84%	0.838	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.4	149	-154.6	32	-34.9	0	0	0	113.4	A12	P10-A12 PolarHBondContact O-N 3.35Å
11	A	40.5	Very low	33.7	Very low	110 Å²	110	153.6 Å²	153.6	91%	0.909	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-60.9	121.5	170.1	0	0	0	0	0	110.2
12	A	30.7	Very low	33.4	Very low	97 Å²	97	151 Å²	151	80%	0.802	83%	0.829	S	S	*	*			trans	-115.8	148	167.5	0	0	0	0	0	109.2	P10	P10-A12 PolarHBondContact O-N 3.35Å
13	S	29.6	Very low	33.2	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	83%	0.832	S	S	*	*			trans	-52.1	153.1	-164.7	45.6	0	0	0	0	117.4
14	S	41.1	Very low	32.8	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	84%	0.837	S	S	*	*	S	Bend	trans	-50.2	149.2	160.7	47.6	0	0	0	0	113.1
15	D	37.4	Very low	32.2	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	83%	0.83	S	S	*	*			trans	95.4	69.6	175.7	-57.3	-20.8	0	0	0	116.7
16	E	28.7	Very low	31.6	Very low	184 Å²	184	144 Å²	144	86%	0.86	82%	0.82	S	S	*	*			trans	-141.3	117.2	149	-77.5	-162.9	158.4	0	0	111.3	F18	E16-F18 PolarHBondContact O-N 3.39Å
17	E	31.9	Very low	31.3	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	82%	0.819	S	S	*	*			trans	-59.9	116.4	168.7	-108.4	-179.7	168.9	0	0	110.4	K19	E17-K19 PolarHBondContact O-N 3.31Å
18	F	26.6	Very low	30.9	Very low	211 Å²	211	138.8 Å²	138.8	93%	0.925	81%	0.812	S	S	*	*			trans	-71.4	100.3	170.5	-87.8	-90.7	0	0	0	110.4	E16	E16-F18 PolarHBondContact O-N 3.39Å
19	K	31.7	Very low	30.6	Very low	182 Å²	182	141 Å²	141	79%	0.791	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.2	122.1	164.5	-78.5	-177.1	179.7	175.3	0	110.9	E17	E17-K19 PolarHBondContact O-N 3.31Å
20	T	27.6	Very low	30.3	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.2	144.1	173.7	-37.5	0	0	0	0	110.8	E22	T20-E22 PolarHBondContact O-N 3.35Å
21	P	28.1	Very low	30	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.7	129.7	-177.3	-6.3	22.3	0	0	0	111.4	K23	P21-K23 PolarHBondContact O-N 3.2Å
22	E	30.4	Very low	29.6	Very low	191 Å²	191	140 Å²	140	89%	0.893	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.6	172.2	-71.9	-177.2	161.7	0	0	110.8	T20 G24	T20-E22 PolarHBondContact O-N 3.35Å; E22-G24 PolarHBondContact O-N 3.32Å
23	K	29.4	Very low	29.8	Very low	198 Å²	198	141 Å²	141	86%	0.861	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.6	118.7	170.1	-106.2	178.4	174.6	177.7	0	108.9	P21 V25	P21-K23 PolarHBondContact O-N 3.2Å; K23-V25 PolarHBondContact O-N 2.88Å
24	G	27.3	Very low	30.3	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-54.7	118.6	172.7	0	0	0	0	0	111.7	E22 S26	E22-G24 PolarHBondContact O-N 3.32Å; G24-S26 PolarHBondContact O-N 2.95Å
25	V	25.2	Very low	30.7	Very low	133 Å²	133	142.2 Å²	142.2	81%	0.806	79%	0.794	S	S	*	*			trans	-77.4	111.7	174.9	177.9	0	0	0	0	108.1	K23 V27	K23-V25 PolarHBondContact O-N 2.88Å; V25-V27 PolarHBondContact O-N 3Å
26	S	27.1	Very low	31.7	Very low	94 Å²	94	135.9 Å²	135.9	66%	0.657	77%	0.765	S	S	*	*			trans	-62.8	123	161.5	56.5	0	0	0	0	108.4	G24 V28	G24-S26 PolarHBondContact O-N 2.95Å; S26-V28 PolarHBondContact O-N 3.27Å
27	V	26.3	Very low	33.5	Very low	143 Å²	143	128.3 Å²	128.3	87%	0.867	73%	0.729	S	S	*	*			trans	-59.2	98.1	177.2	179.2	0	0	0	0	109.5	V25	V25-V27 PolarHBondContact O-N 3Å
28	V	28.4	Very low	34.8	Very low	113 Å²	113	122.2 Å²	122.2	69%	0.685	70%	0.701	S	S	*	*			trans	-79.6	124.1	167.3	176.8	0	0	0	0	107	S26 G30	S26-V28 PolarHBondContact O-N 3.27Å; V28-G30 PolarHBondContact O-N 3.07Å
29	R	28.7	Very low	36.6	Very low	240 Å²	240	123 Å²	123	91%	0.906	70%	0.698	S	S	*	*			trans	-53.3	127.9	172.2	-80.1	-179.7	176.7	-171.8	-1.5	109.6
30	G	26.8	Very low	38.9	Very low	75 Å²	75	117 Å²	117	77%	0.773	67%	0.671	S	S	*	*			trans	-5.6	110.1	177.6	0	0	0	0	0	117.7	V28	V28-G30 PolarHBondContact O-N 3.07Å
31	S	26.4	Very low	40.9	Very low	105 Å²	105	112.2 Å²	112.2	73%	0.734	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.9	136	160.7	-48.1	0	0	0	0	109.9
32	P	32.2	Very low	43.3	Very low	100 Å²	100	108 Å²	108	65%	0.649	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-65	147.6	169.4	-9.2	24.1	0	0	0	109.7
33	P	34.4	Very low	45.8	Very low	119 Å²	119	103 Å²	103	77%	0.773	60%	0.595	S	S	*	*	S	Bend	trans	-69.6	132.6	174.9	30.1	-32	0	0	0	109.9
34	D	41	Very low	48.3	Very low	142 Å²	142	97.9 Å²	97.9	76%	0.759	57%	0.574	S	S	*	*			trans	54.3	105.7	172.2	-84.3	-20.2	0	0	0	118.2	G36	D34-G36 PolarHBondContact O-N 3.47Å
35	S	48.3	Very low	50.9	Low	99 Å²	99	94 Å²	94	69%	0.692	53%	0.534	S	S	*	.			trans	-70.4	51.2	161.2	56.8	0	0	0	0	111.9
36	G	58.8	Low	53.7	Low	21 Å²	21	87.7 Å²	87.7	22%	0.216	50%	0.496	C	S	.	.			trans	-108.6	38.7	-177.6	0	0	0	0	0	112.8	D34 M38 R39	D34-G36 PolarHBondContact O-N 3.47Å; G36-M38 PolarHBondContact O-N 3.46Å; G36-M38 VanDerWaalsContact O-N 3.1Å; G36-R39 WeakPolarHBondContact O-CB 3.32Å; G36-R39 PolarHBondContact O-N 3.16Å
37	F	66.2	Low	56.6	Low	25 Å²	25	87.5 Å²	87.5	11%	0.11	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.2	-175.4	72.6	-90.4	0	0	0	113.1	R39 W40 G68 L100	F37-R39 PolarHBondContact O-N 3.31Å; F37-W40 VanDerWaalsContact CA-CD2 3.48Å; F37-W40 VanDerWaalsContact CA-CE2 3.48Å; F37-W40 HydrophobicContact CB-CD2 3.7Å; F37-W40 HydrophobicContact CB-CE3 3.71Å; F37-W40 HydrophobicContact CB-CG 4.34Å; F37-W40 HydrophobicContact CB-CH2 3.83Å; F37-W40 HydrophobicContact CB-CZ2 3.82Å; F37-W40 HydrophobicContact CB-CZ3 3.77Å; F37-W40 VanDerWaalsContact O-CB 3.23Å; F37-W40 WeakPolarHBondContact O-CB 3.4Å; F37-W40 PolarHBondContact O-N 3.28Å; F37-G68 CarbonylContact O-C 3.54Å; F37-G68 VanDerWaalsContact O-CA 3.22Å; F37-G68 WeakPolarHBondContact O-CA 3.35Å; F37-L100 HydrophobicContact CB-CD2 4.32Å; F37-L100 HydrophobicContact CG-CD2 4.31Å; F37-L100 HydrophobicContact CG-CG 4.48Å
38	M	60.3	Low	59.5	Low	45 Å²	45	81.5 Å²	81.5	22%	0.222	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-62.8	-19.1	172.2	-66.3	-62.4	-146.3	0	0	114.2	G36 V69 R72 E249	G36-M38 PolarHBondContact O-N 3.46Å; G36-M38 VanDerWaalsContact O-N 3.1Å; M38-V69 WeakPolarHBondContact O-CG2 3.4Å; M38-V69 HydrophobicContact SD-CG2 4.21Å; M38-R72 VanDerWaalsContact CE-NH1 3.25Å; M38-E249 WeakPolarHBondContact CE-O 3.46Å
39	R	64.5	Low	62.3	Low	229 Å²	229	76.1 Å²	76.1	86%	0.864	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-94	-2.7	175.6	-59.2	-177.2	-177	-178.6	1.4	112.7	G36 F37 G41	G36-R39 WeakPolarHBondContact O-CB 3.32Å; G36-R39 PolarHBondContact O-N 3.16Å; F37-R39 PolarHBondContact O-N 3.31Å; R39-G41 PolarHBondContact O-N 2.82Å
40	W	79.1	Confident	65.1	Low	56 Å²	56	69 Å²	69	21%	0.212	39%	0.391	C	S	.	.			trans	-69.9	125.2	-178.8	-67.5	-2.5	0	0	0	110.5	F37 E44 Y48 T67 G68 L71 L100	F37-W40 VanDerWaalsContact CA-CD2 3.48Å; F37-W40 VanDerWaalsContact CA-CE2 3.48Å; F37-W40 HydrophobicContact CB-CD2 3.7Å; F37-W40 HydrophobicContact CB-CE3 3.71Å; F37-W40 HydrophobicContact CB-CG 4.34Å; F37-W40 HydrophobicContact CB-CH2 3.83Å; F37-W40 HydrophobicContact CB-CZ2 3.82Å; F37-W40 HydrophobicContact CB-CZ3 3.77Å; F37-W40 VanDerWaalsContact O-CB 3.23Å; F37-W40 WeakPolarHBondContact O-CB 3.4Å; F37-W40 PolarHBondContact O-N 3.28Å; W40-E44 HydrophobicContact CB-CB 3.68Å; W40-E44 HydrophobicContact CD2-CB 4.29Å; W40-E44 HydrophobicContact CG-CB 3.69Å; W40-Y48 AromaticContact CH2-CD2 3.64Å; W40-Y48 HydrophobicContact CH2-CD2 3.64Å; W40-Y48 AromaticContact CH2-CG 3.82Å; W40-Y48 HydrophobicContact CH2-CG 3.82Å; W40-Y48 HydrophobicContact CZ3-CD1 4.18Å; W40-Y48 AromaticContact CZ3-CD2 3.77Å; W40-Y48 HydrophobicContact CZ3-CD2 3.77Å; W40-Y48 AromaticContact CZ3-CG 3.46Å; W40-Y48 HydrophobicContact CZ3-CG 3.46Å; W40-Y48 VanDerWaalsContact CZ3-CG 3.46Å; W40-T67 WeakPolarHBondContact O-CB 3.33Å; W40-G68 PolarHBondContact O-N 3.22Å; W40-L71 HydrophobicContact CE3-CD1 4.44Å; W40-L71 HydrophobicContact CZ3-CD1 4.49Å; W40-L100 HydrophobicContact CH2-CD1 3.78Å; W40-L100 HydrophobicContact CH2-CD2 4.23Å; W40-L100 HydrophobicContact CZ3-CD1 4.3Å; W40-L100 HydrophobicContact CZ3-CD2 3.89Å
41	G	70.9	Confident	68	Low	27 Å²	27	74 Å²	74	28%	0.278	39%	0.387	S	S	.	.			trans	-70.6	-172.1	161.5	0	0	0	0	0	111	R39 E43 E44 T45	R39-G41 PolarHBondContact O-N 2.82Å; G41-E43 VanDerWaalsContact C-N 3.31Å; G41-E43 PolarHBondContact O-N 3.3Å; G41-E44 VanDerWaalsContact C-OE2 3.3Å; G41-E44 WeakPolarHBondContact CA-OE2 3.36Å; G41-E44 PolarHBondContact N-OE2 3.17Å; G41-T45 WeakPolarHBondContact O-CB 3.41Å; G41-T45 PolarHBondContact O-N 3.36Å; G41-T45 VanDerWaalsContact O-N 3.12Å; G41-T45 PolarHBondContact O-OG1 3.14Å
42	V	77.7	Confident	70.8	Confident	33 Å²	33	72.1 Å²	72.1	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-38.3	-178.1	-179.3	0	0	0	0	111.2	T45 C46 R62 K65 T67	V42-T45 WeakPolarHBondContact O-CB 3.35Å; V42-T45 PolarHBondContact O-N 3.13Å; V42-C46 PolarHBondContact O-N 3.01Å; V42-C46 PolarHBondContact O-SG 2.68Å; V42-R62 HydrophobicContact CG1-CB 4.22Å; V42-R62 HydrophobicContact CG1-CG 4.1Å; V42-K65 HydrophobicContact CG2-CB 4.12Å; V42-T67 HydrophobicContact CG2-CG2 4.13Å
43	E	82.9	Confident	73.4	Confident	86 Å²	86	69.8 Å²	69.8	40%	0.402	36%	0.361	S	S	.	.	H	α-helix	trans	-75.2	-38.7	-177.1	-67.6	-54.6	143	0	0	112.4	G41 T45 C46 Q47 R62	G41-E43 VanDerWaalsContact C-N 3.31Å; G41-E43 PolarHBondContact O-N 3.3Å; E43-T45 VanDerWaalsContact C-N 3.28Å; E43-T45 PolarHBondContact O-N 3.06Å; E43-C46 PolarHBondContact O-N 3.34Å; E43-Q47 VanDerWaalsContact O-CG 3.31Å; E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 3.13Å; E43-R62 IonicContact OE1-CZ 3.71Å; E43-R62 IonicContact OE1-NE 2.87Å; E43-R62 PolarHBondContact OE1-NE 3.27Å; E43-R62 IonicContact OE1-NH2 3.66Å; E43-R62 IonicContact OE2-CZ 3.68Å; E43-R62 IonicContact OE2-NE 3.58Å; E43-R62 IonicContact OE2-NH2 2.87Å; E43-R62 PolarHBondContact OE2-NH2 3.02Å
44	E	81.8	Confident	76.1	Confident	89 Å²	89	64.1 Å²	64.1	42%	0.416	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-35.5	173.7	-62.4	82.7	178.4	0	0	111.3	W40 G41 Q47 Y48	W40-E44 HydrophobicContact CB-CB 3.68Å; W40-E44 HydrophobicContact CD2-CB 4.29Å; W40-E44 HydrophobicContact CG-CB 3.69Å; G41-E44 VanDerWaalsContact C-OE2 3.3Å; G41-E44 WeakPolarHBondContact CA-OE2 3.36Å; G41-E44 PolarHBondContact N-OE2 3.17Å; E44-Q47 PolarHBondContact O-N 3.28Å; E44-Y48 PolarHBondContact O-N 2.81Å
45	T	81.2	Confident	78.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-43.3	172.3	-61.4	0	0	0	0	111.6	G41 V42 E43 Y48 L49 F61 I66 T67 G68 L71	G41-T45 WeakPolarHBondContact O-CB 3.41Å; G41-T45 PolarHBondContact O-N 3.36Å; G41-T45 VanDerWaalsContact O-N 3.12Å; G41-T45 PolarHBondContact O-OG1 3.14Å; V42-T45 WeakPolarHBondContact O-CB 3.35Å; V42-T45 PolarHBondContact O-N 3.13Å; E43-T45 VanDerWaalsContact C-N 3.28Å; E43-T45 PolarHBondContact O-N 3.06Å; T45-Y48 WeakPolarHBondContact O-CB 3.18Å; T45-Y48 PolarHBondContact O-N 3.28Å; T45-L49 PolarHBondContact O-N 3.49Å; T45-F61 HydrophobicContact CG2-CD1 4.3Å; T45-I66 WeakPolarHBondContact CG2-O 3.4Å; T45-T67 VanDerWaalsContact OG1-C 3.31Å; T45-G68 PolarHBondContact OG1-N 3.48Å; T45-L71 HydrophobicContact CG2-CD1 3.82Å; T45-L71 HydrophobicContact CG2-CD2 3.66Å; T45-L71 HydrophobicContact CG2-CG 3.82Å
46	C	85.5	Confident	80.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-39.6	175.8	-67.7	0	0	0	0	112	V42 E43 Y48 L49 Q50 T58	V42-C46 PolarHBondContact O-N 3.01Å; V42-C46 PolarHBondContact O-SG 2.68Å; E43-C46 PolarHBondContact O-N 3.34Å; C46-Y48 VanDerWaalsContact C-N 3.28Å; C46-Y48 PolarHBondContact O-N 3.35Å; C46-L49 PolarHBondContact O-N 2.92Å; C46-Q50 WeakPolarHBondContact O-CG 3.24Å; C46-Q50 PolarHBondContact O-N 3.22Å; C46-T58 HydrophobicContact CB-CG2 4.16Å
47	Q	86.5	Confident	82	Confident	90 Å²	90	64.9 Å²	64.9	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-36.7	174.9	-74	175.4	20	0	0	112.1	E43 E44 Q50 R51	E43-Q47 VanDerWaalsContact O-CG 3.31Å; E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 3.13Å; E44-Q47 PolarHBondContact O-N 3.28Å; Q47-Q50 PolarHBondContact O-N 3.3Å; Q47-R51 WeakPolarHBondContact O-CG 3.4Å; Q47-R51 PolarHBondContact O-N 3.44Å; Q47-R51 VanDerWaalsContact O-N 3.13Å
48	Y	87.1	Confident	83.1	Confident	17 Å²	17	64.1 Å²	64.1	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-48.4	172.9	166.3	-96	0	0	0	112	W40 E44 T45 C46 Q50 R51 E52 S96 L97 L100	W40-Y48 AromaticContact CH2-CD2 3.64Å; W40-Y48 HydrophobicContact CH2-CD2 3.64Å; W40-Y48 AromaticContact CH2-CG 3.82Å; W40-Y48 HydrophobicContact CH2-CG 3.82Å; W40-Y48 HydrophobicContact CZ3-CD1 4.18Å; W40-Y48 AromaticContact CZ3-CD2 3.77Å; W40-Y48 HydrophobicContact CZ3-CD2 3.77Å; W40-Y48 AromaticContact CZ3-CG 3.46Å; W40-Y48 HydrophobicContact CZ3-CG 3.46Å; W40-Y48 VanDerWaalsContact CZ3-CG 3.46Å; E44-Y48 PolarHBondContact O-N 2.81Å; T45-Y48 WeakPolarHBondContact O-CB 3.18Å; T45-Y48 PolarHBondContact O-N 3.28Å; C46-Y48 VanDerWaalsContact C-N 3.28Å; C46-Y48 PolarHBondContact O-N 3.35Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 2.95Å; Y48-R51 PolarHBondContact O-N 2.91Å; Y48-R51 VanDerWaalsContact O-N 3.14Å; Y48-E52 HydrophobicContact CD2-CG 4.39Å; Y48-E52 HydrophobicContact CE1-CG 4.36Å; Y48-E52 HydrophobicContact CE2-CG 3.73Å; Y48-E52 PolarHBondContact O-N 3.45Å; Y48-E52 VanDerWaalsContact O-N 3.16Å; Y48-S96 VanDerWaalsContact OH-C 3.25Å; Y48-S96 PolarHBondContact OH-O 3.28Å; Y48-S96 PolarHBondContact OH-OG 3.01Å; Y48-L97 HydrophobicContact CE1-CD2 4.02Å; Y48-L100 HydrophobicContact CD1-CD2 4.27Å; Y48-L100 HydrophobicContact CD2-CD1 4.04Å; Y48-L100 HydrophobicContact CD2-CD2 4.27Å; Y48-L100 HydrophobicContact CE1-CD2 3.96Å; Y48-L100 HydrophobicContact CE2-CB 3.96Å; Y48-L100 HydrophobicContact CE2-CD1 3.64Å; Y48-L100 HydrophobicContact CE2-CD2 3.93Å; Y48-L100 HydrophobicContact CE2-CG 4.05Å; Y48-L100 HydrophobicContact CG-CD2 4.43Å; Y48-L100 WeakPolarHBondContact OH-CB 3.09Å
49	L	87.8	Confident	84.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-40.6	177.8	-69.1	174.1	0	0	0	111.6	T45 C46 E52 G53 L54 T58 F61	T45-L49 PolarHBondContact O-N 3.49Å; C46-L49 PolarHBondContact O-N 2.92Å; L49-E52 PolarHBondContact O-N 3.43Å; L49-G53 PolarHBondContact O-N 3.36Å; L49-L54 HydrophobicContact CB-CB 4.18Å; L49-L54 HydrophobicContact CD2-CB 4.15Å; L49-L54 HydrophobicContact CD2-CD1 3.99Å; L49-L54 WeakPolarHBondContact O-CA 3.43Å; L49-L54 WeakPolarHBondContact O-CB 3.48Å; L49-L54 PolarHBondContact O-N 3.12Å; L49-T58 HydrophobicContact CB-CG2 3.89Å; L49-T58 HydrophobicContact CD1-CG2 4.39Å; L49-F61 HydrophobicContact CD1-CB 4.01Å; L49-F61 HydrophobicContact CD1-CD1 3.67Å; L49-F61 HydrophobicContact CD1-CD2 3.95Å; L49-F61 HydrophobicContact CD1-CE1 4.05Å; L49-F61 HydrophobicContact CD1-CE2 4.32Å; L49-F61 HydrophobicContact CD1-CG 3.6Å; L49-F61 HydrophobicContact CD1-CZ 4.37Å
50	Q	88.4	Confident	85.6	Confident	91 Å²	91	59.2 Å²	59.2	43%	0.425	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-45	175.2	-69.6	174.2	-9.3	0	0	112.4	C46 Q47 Y48 E52 G53 E55 T58	C46-Q50 WeakPolarHBondContact O-CG 3.24Å; C46-Q50 PolarHBondContact O-N 3.22Å; Q47-Q50 PolarHBondContact O-N 3.3Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 2.95Å; Q50-E52 PolarHBondContact O-N 3.21Å; Q50-G53 PolarHBondContact O-N 3.36Å; Q50-E55 HydrophobicContact CG-CB 3.95Å; Q50-T58 HydrophobicContact CG-CG2 3.85Å
51	R	86.3	Confident	85.9	Confident	180 Å²	180	56.6 Å²	56.6	68%	0.679	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-30.3	179.1	-70.9	176	-162.9	179.7	7.8	113.2	Q47 Y48 G53	Q47-R51 WeakPolarHBondContact O-CG 3.4Å; Q47-R51 PolarHBondContact O-N 3.44Å; Q47-R51 VanDerWaalsContact O-N 3.13Å; Y48-R51 PolarHBondContact O-N 2.91Å; Y48-R51 VanDerWaalsContact O-N 3.14Å; R51-G53 VanDerWaalsContact C-N 3.3Å
52	E	85.6	Confident	86.6	Confident	65 Å²	65	59.4 Å²	59.4	30%	0.304	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	7.6	178.2	-67.9	-76.8	129.6	0	0	112.9	Y48 L49 Q50 L54 S96 K99	Y48-E52 HydrophobicContact CD2-CG 4.39Å; Y48-E52 HydrophobicContact CE1-CG 4.36Å; Y48-E52 HydrophobicContact CE2-CG 3.73Å; Y48-E52 PolarHBondContact O-N 3.45Å; Y48-E52 VanDerWaalsContact O-N 3.16Å; L49-E52 PolarHBondContact O-N 3.43Å; Q50-E52 PolarHBondContact O-N 3.21Å; E52-L54 HydrophobicContact CB-CD1 4.37Å; E52-S96 WeakPolarHBondContact CB-OG 3.13Å; E52-S96 WeakPolarHBondContact CG-OG 3.4Å; E52-S96 PolarHBondContact OE2-OG 3.48Å; E52-K99 IonicContact OE1-NZ 3Å; E52-K99 PolarHBondContact OE1-NZ 3.17Å; E52-K99 IonicContact OE2-NZ 2.95Å; E52-K99 PolarHBondContact OE2-NZ 3.24Å
53	G	87.9	Confident	86.8	Confident	51 Å²	51	61.4 Å²	61.4	53%	0.526	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	23.7	177.5	0	0	0	0	0	114.2	L49 Q50 R51	L49-G53 PolarHBondContact O-N 3.36Å; Q50-G53 PolarHBondContact O-N 3.36Å; R51-G53 VanDerWaalsContact C-N 3.3Å
54	L	90.2	Very high	86.8	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.			trans	-109.6	29.8	-178.4	-61.7	169.4	0	0	0	111.8	L49 E52 E56 W57 Q92 I93	L49-L54 HydrophobicContact CB-CB 4.18Å; L49-L54 HydrophobicContact CD2-CB 4.15Å; L49-L54 HydrophobicContact CD2-CD1 3.99Å; L49-L54 WeakPolarHBondContact O-CA 3.43Å; L49-L54 WeakPolarHBondContact O-CB 3.48Å; L49-L54 PolarHBondContact O-N 3.12Å; E52-L54 HydrophobicContact CB-CD1 4.37Å; L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 2.89Å; L54-W57 PolarHBondContact O-N 3.46Å; L54-Q92 HydrophobicContact CD2-CG 4.05Å; L54-I93 HydrophobicContact CD1-CB 4.44Å; L54-I93 HydrophobicContact CD1-CG1 4.02Å; L54-I93 HydrophobicContact CD2-CG1 3.97Å; L54-I93 HydrophobicContact CG-CG1 4.49Å
55	E	89.8	Confident	86.8	Confident	130 Å²	130	66.3 Å²	66.3	61%	0.607	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.8	-31.9	-173	60.4	-162.8	-168	0	0	114.1	Q50 W57 T58	Q50-E55 HydrophobicContact CG-CB 3.95Å; E55-W57 PolarHBondContact O-N 3.21Å; E55-W57 VanDerWaalsContact O-N 3.13Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 WeakPolarHBondContact O-CG2 3.1Å; E55-T58 PolarHBondContact O-N 3.05Å; E55-T58 VanDerWaalsContact O-N 3.13Å; E55-T58 PolarHBondContact O-OG1 3.29Å
56	E	90.1	Very high	86.5	Confident	119 Å²	119	67.2 Å²	67.2	56%	0.556	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-61	-21.2	177.6	66.7	-179.7	166.3	0	0	113.8	L54	L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 2.89Å
57	W	91.9	Very high	86.3	Confident	28 Å²	28	69.6 Å²	69.6	11%	0.106	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-98.1	-6	-179.2	-53.2	113.4	0	0	0	113.6	L54 E55 D59 K60 F61 I84 D89 I93	L54-W57 PolarHBondContact O-N 3.46Å; E55-W57 PolarHBondContact O-N 3.21Å; E55-W57 VanDerWaalsContact O-N 3.13Å; W57-D59 VanDerWaalsContact C-N 3.32Å; W57-D59 PolarHBondContact O-N 3.43Å; W57-K60 HydrophobicContact CE3-CD 3.95Å; W57-K60 HydrophobicContact CZ3-CD 4.34Å; W57-K60 VanDerWaalsContact CZ3-NZ 3.27Å; W57-K60 PolarHBondContact O-N 3.04Å; W57-K60 VanDerWaalsContact O-N 3.14Å; W57-F61 HydrophobicContact CB-CD2 4.45Å; W57-F61 HydrophobicContact CB-CE2 4.44Å; W57-F61 WeakPolarHBondContact O-CD2 3.47Å; W57-F61 PolarHBondContact O-N 2.96Å; W57-I84 HydrophobicContact CB-CD1 4.19Å; W57-I84 HydrophobicContact CD2-CD1 3.9Å; W57-I84 HydrophobicContact CD2-CG1 4.13Å; W57-I84 HydrophobicContact CD2-CG2 4.2Å; W57-I84 HydrophobicContact CE3-CB 4.5Å; W57-I84 HydrophobicContact CE3-CD1 3.97Å; W57-I84 HydrophobicContact CE3-CG1 3.73Å; W57-I84 HydrophobicContact CE3-CG2 4.23Å; W57-I84 HydrophobicContact CG-CD1 4.04Å; W57-I84 HydrophobicContact CH2-CG2 4.02Å; W57-I84 HydrophobicContact CZ2-CG2 4.01Å; W57-I84 HydrophobicContact CZ3-CG1 4.13Å; W57-I84 HydrophobicContact CZ3-CG2 4.16Å; W57-D89 HydrophobicContact CZ2-CB 3.53Å; W57-D89 WeakPolarHBondContact CZ2-OD2 3.14Å; W57-I93 HydrophobicContact CB-CD1 4.22Å; W57-I93 HydrophobicContact CD2-CD1 4.34Å; W57-I93 HydrophobicContact CG-CD1 3.73Å
58	T	89.6	Confident	85.5	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-39.6	-175.3	55.3	0	0	0	0	112.8	C46 L49 Q50 E55 K60 F61 R62	C46-T58 HydrophobicContact CB-CG2 4.16Å; L49-T58 HydrophobicContact CB-CG2 3.89Å; L49-T58 HydrophobicContact CD1-CG2 4.39Å; Q50-T58 HydrophobicContact CG-CG2 3.85Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 WeakPolarHBondContact O-CG2 3.1Å; E55-T58 PolarHBondContact O-N 3.05Å; E55-T58 VanDerWaalsContact O-N 3.13Å; E55-T58 PolarHBondContact O-OG1 3.29Å; T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 PolarHBondContact O-N 3.44Å; T58-F61 PolarHBondContact O-N 2.85Å; T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 PolarHBondContact O-N 2.74Å
59	D	87.6	Confident	84.5	Confident	108 Å²	108	67.4 Å²	67.4	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-31.7	179.2	-71.3	-30.6	0	0	0	113	W57 R62 A63	W57-D59 VanDerWaalsContact C-N 3.32Å; W57-D59 PolarHBondContact O-N 3.43Å; D59-R62 IonicContact OD1-NH1 2.97Å; D59-R62 PolarHBondContact OD1-NH1 3.13Å; D59-A63 VanDerWaalsContact O-CB 3.28Å; D59-A63 WeakPolarHBondContact O-CB 3.34Å; D59-A63 PolarHBondContact O-N 3.36Å
60	K	88.9	Confident	83.5	Confident	64 Å²	64	68.7 Å²	68.7	28%	0.278	35%	0.35	S	S	.	.	H	α-helix	trans	-71.3	-43.2	175	-68.1	-178.1	178.6	174.5	0	111.5	W57 T58 R62 A63 E64 I82 G83 I84	W57-K60 HydrophobicContact CE3-CD 3.95Å; W57-K60 HydrophobicContact CZ3-CD 4.34Å; W57-K60 VanDerWaalsContact CZ3-NZ 3.27Å; W57-K60 PolarHBondContact O-N 3.04Å; W57-K60 VanDerWaalsContact O-N 3.14Å; T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 PolarHBondContact O-N 3.44Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 2.91Å; K60-A63 PolarHBondContact O-N 2.86Å; K60-E64 WeakPolarHBondContact O-CG 3.47Å; K60-E64 PolarHBondContact O-N 3.16Å; K60-E64 VanDerWaalsContact O-N 3.11Å; K60-I82 WeakPolarHBondContact CD-O 3.46Å; K60-G83 VanDerWaalsContact NZ-C 3.28Å; K60-G83 PolarHBondContact NZ-O 3.1Å; K60-I84 HydrophobicContact CD-CG1 3.86Å
61	F	86.6	Confident	82.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-35.1	175.7	-82.2	-118.6	0	0	0	111.6	T45 L49 W57 T58 K65 I66 L71 L74 L79 I82 I84 I93	T45-F61 HydrophobicContact CG2-CD1 4.3Å; L49-F61 HydrophobicContact CD1-CB 4.01Å; L49-F61 HydrophobicContact CD1-CD1 3.67Å; L49-F61 HydrophobicContact CD1-CD2 3.95Å; L49-F61 HydrophobicContact CD1-CE1 4.05Å; L49-F61 HydrophobicContact CD1-CE2 4.32Å; L49-F61 HydrophobicContact CD1-CG 3.6Å; L49-F61 HydrophobicContact CD1-CZ 4.37Å; W57-F61 HydrophobicContact CB-CD2 4.45Å; W57-F61 HydrophobicContact CB-CE2 4.44Å; W57-F61 WeakPolarHBondContact O-CD2 3.47Å; W57-F61 PolarHBondContact O-N 2.96Å; T58-F61 PolarHBondContact O-N 2.85Å; F61-K65 PolarHBondContact O-N 2.9Å; F61-K65 VanDerWaalsContact O-N 3.16Å; F61-I66 HydrophobicContact CB-CB 4.34Å; F61-I66 HydrophobicContact CB-CD1 4.36Å; F61-I66 HydrophobicContact CD1-CB 3.89Å; F61-I66 HydrophobicContact CD1-CD1 3.74Å; F61-I66 HydrophobicContact CD1-CG1 4.37Å; F61-I66 HydrophobicContact CD1-CG2 3.79Å; F61-I66 HydrophobicContact CD2-CD1 4.37Å; F61-I66 HydrophobicContact CE1-CD1 4.1Å; F61-I66 HydrophobicContact CE1-CG2 4.19Å; F61-I66 HydrophobicContact CG-CB 4.4Å; F61-I66 HydrophobicContact CG-CD1 3.9Å; F61-I66 PolarHBondContact O-N 3.22Å; F61-L71 HydrophobicContact CD1-CD2 3.92Å; F61-L71 HydrophobicContact CE1-CD2 3.52Å; F61-L74 HydrophobicContact CD1-CD1 4.4Å; F61-L74 HydrophobicContact CE1-CD1 3.38Å; F61-L74 HydrophobicContact CZ-CD1 3.71Å; F61-L79 HydrophobicContact CE2-CD2 4.02Å; F61-L79 HydrophobicContact CZ-CD2 3.67Å; F61-I82 HydrophobicContact CD2-CD1 4.12Å; F61-I82 HydrophobicContact CE2-CD1 3.84Å; F61-I82 HydrophobicContact CZ-CD1 4.44Å; F61-I84 HydrophobicContact CE2-CD1 4Å; F61-I93 HydrophobicContact CZ-CG2 4.05Å
62	R	85.2	Confident	82.1	Confident	86 Å²	86	59.4 Å²	59.4	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-68.4	-45.4	174.4	-171.8	-178.2	-75	126.7	-2.4	112.3	V42 E43 T58 D59 K60 E64 K65	V42-R62 HydrophobicContact CG1-CB 4.22Å; V42-R62 HydrophobicContact CG1-CG 4.1Å; E43-R62 IonicContact OE1-CZ 3.71Å; E43-R62 IonicContact OE1-NE 2.87Å; E43-R62 PolarHBondContact OE1-NE 3.27Å; E43-R62 IonicContact OE1-NH2 3.66Å; E43-R62 IonicContact OE2-CZ 3.68Å; E43-R62 IonicContact OE2-NE 3.58Å; E43-R62 IonicContact OE2-NH2 2.87Å; E43-R62 PolarHBondContact OE2-NH2 3.02Å; T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 PolarHBondContact O-N 2.74Å; D59-R62 IonicContact OD1-NH1 2.97Å; D59-R62 PolarHBondContact OD1-NH1 3.13Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 2.91Å; R62-E64 VanDerWaalsContact C-N 3.29Å; R62-E64 PolarHBondContact O-N 3.39Å; R62-K65 PolarHBondContact O-N 3.35Å; R62-K65 VanDerWaalsContact O-N 3.08Å
63	A	82.2	Confident	81	Confident	75 Å²	75	62.1 Å²	62.1	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-40.7	178.6	0	0	0	0	0	112.1	D59 K60 K65	D59-A63 VanDerWaalsContact O-CB 3.28Å; D59-A63 WeakPolarHBondContact O-CB 3.34Å; D59-A63 PolarHBondContact O-N 3.36Å; K60-A63 PolarHBondContact O-N 2.86Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.21Å
64	E	83.5	Confident	80.5	Confident	119 Å²	119	60.6 Å²	60.6	56%	0.556	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	4.6	178.7	-64.1	-63.9	147	0	0	113.2	K60 R62 I66 I82	K60-E64 WeakPolarHBondContact O-CG 3.47Å; K60-E64 PolarHBondContact O-N 3.16Å; K60-E64 VanDerWaalsContact O-N 3.11Å; R62-E64 VanDerWaalsContact C-N 3.29Å; R62-E64 PolarHBondContact O-N 3.39Å; E64-I66 HydrophobicContact CB-CD1 4.11Å; E64-I66 HydrophobicContact CB-CG1 3.84Å; E64-I66 PolarHBondContact O-N 3.18Å; E64-I82 HydrophobicContact CB-CG2 4.41Å; E64-I82 HydrophobicContact CG-CB 4.08Å; E64-I82 HydrophobicContact CG-CG2 3.68Å
65	K	79.9	Confident	79.9	Confident	160 Å²	160	66.6 Å²	66.6	70%	0.696	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	40.6	179.3	-58.2	179.9	-179.9	178.1	0	113.2	V42 F61 R62 A63 T67	V42-K65 HydrophobicContact CG2-CB 4.12Å; F61-K65 PolarHBondContact O-N 2.9Å; F61-K65 VanDerWaalsContact O-N 3.16Å; R62-K65 PolarHBondContact O-N 3.35Å; R62-K65 VanDerWaalsContact O-N 3.08Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.21Å; K65-T67 PolarHBondContact O-N 2.98Å
66	I	76.6	Confident	79.5	Confident	18 Å²	18	62.9 Å²	62.9	9%	0.092	31%	0.307	C	S	.	.			trans	-71.8	114.6	-178.5	-57.8	-179.5	0	0	0	108.8	T45 F61 E64 L71 L74 I82	T45-I66 WeakPolarHBondContact CG2-O 3.4Å; F61-I66 HydrophobicContact CB-CB 4.34Å; F61-I66 HydrophobicContact CB-CD1 4.36Å; F61-I66 HydrophobicContact CD1-CB 3.89Å; F61-I66 HydrophobicContact CD1-CD1 3.74Å; F61-I66 HydrophobicContact CD1-CG1 4.37Å; F61-I66 HydrophobicContact CD1-CG2 3.79Å; F61-I66 HydrophobicContact CD2-CD1 4.37Å; F61-I66 HydrophobicContact CE1-CD1 4.1Å; F61-I66 HydrophobicContact CE1-CG2 4.19Å; F61-I66 HydrophobicContact CG-CB 4.4Å; F61-I66 HydrophobicContact CG-CD1 3.9Å; F61-I66 PolarHBondContact O-N 3.22Å; E64-I66 HydrophobicContact CB-CD1 4.11Å; E64-I66 HydrophobicContact CB-CG1 3.84Å; E64-I66 PolarHBondContact O-N 3.18Å; I66-L71 HydrophobicContact CG2-CD2 3.92Å; I66-L71 HydrophobicContact CG2-CG 4.49Å; I66-L74 HydrophobicContact CD1-CD1 4.41Å; I66-L74 HydrophobicContact CD1-CD2 4.21Å; I66-L74 HydrophobicContact CG2-CD1 4.17Å; I66-I82 HydrophobicContact CD1-CD1 3.95Å
67	T	81.3	Confident	79.1	Confident	51 Å²	51	62.1 Å²	62.1	31%	0.313	30%	0.303	S	S	.	.			trans	-91	172.8	174.3	62.9	0	0	0	0	110.8	W40 V42 T45 K65 V69 G70 L71	W40-T67 WeakPolarHBondContact O-CB 3.33Å; V42-T67 HydrophobicContact CG2-CG2 4.13Å; T45-T67 VanDerWaalsContact OG1-C 3.31Å; K65-T67 PolarHBondContact O-N 2.98Å; T67-V69 PolarHBondContact O-N 2.83Å; T67-G70 WeakPolarHBondContact O-CA 3.3Å; T67-G70 PolarHBondContact O-N 3.34Å; T67-G70 PolarHBondContact OG1-N 3.19Å; T67-L71 PolarHBondContact O-N 3.14Å
68	G	68.9	Low	78.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-23.4	178.2	0	0	0	0	0	113.9	F37 W40 T45	F37-G68 CarbonylContact O-C 3.54Å; F37-G68 VanDerWaalsContact O-CA 3.22Å; F37-G68 WeakPolarHBondContact O-CA 3.35Å; W40-G68 PolarHBondContact O-N 3.22Å; T45-G68 PolarHBondContact OG1-N 3.48Å
69	V	67.3	Low	78.4	Confident	62 Å²	62	62 Å²	62	38%	0.376	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-44.8	166	-178.3	0	0	0	0	110.6	M38 T67 L71 R72 Y73	M38-V69 WeakPolarHBondContact O-CG2 3.4Å; M38-V69 HydrophobicContact SD-CG2 4.21Å; T67-V69 PolarHBondContact O-N 2.83Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.25Å; V69-R72 PolarHBondContact O-N 3.33Å; V69-Y73 HydrophobicContact CG1-CE2 4.12Å; V69-Y73 VanDerWaalsContact O-CD2 3.24Å; V69-Y73 WeakPolarHBondContact O-CD2 3.5Å; V69-Y73 WeakPolarHBondContact O-CE2 3.47Å
70	G	66.6	Low	78.5	Confident	26 Å²	26	61.4 Å²	61.4	27%	0.268	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-35	177.7	0	0	0	0	0	113.2	T67 R72 Y73 L74	T67-G70 WeakPolarHBondContact O-CA 3.3Å; T67-G70 PolarHBondContact O-N 3.34Å; T67-G70 PolarHBondContact OG1-N 3.19Å; G70-R72 PolarHBondContact O-N 3.39Å; G70-Y73 PolarHBondContact O-N 2.86Å; G70-Y73 VanDerWaalsContact O-N 3.11Å; G70-L74 PolarHBondContact O-N 2.87Å
71	L	75.9	Confident	78.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-54.9	-36.6	178.5	-68.3	-176.2	0	0	0	113.5	W40 T45 F61 I66 T67 V69 Y73 L74 L97 L100 W101	W40-L71 HydrophobicContact CE3-CD1 4.44Å; W40-L71 HydrophobicContact CZ3-CD1 4.49Å; T45-L71 HydrophobicContact CG2-CD1 3.82Å; T45-L71 HydrophobicContact CG2-CD2 3.66Å; T45-L71 HydrophobicContact CG2-CG 3.82Å; F61-L71 HydrophobicContact CD1-CD2 3.92Å; F61-L71 HydrophobicContact CE1-CD2 3.52Å; I66-L71 HydrophobicContact CG2-CD2 3.92Å; I66-L71 HydrophobicContact CG2-CG 4.49Å; T67-L71 PolarHBondContact O-N 3.14Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.25Å; L71-Y73 PolarHBondContact O-N 3.44Å; L71-L74 HydrophobicContact CD2-CD1 3.86Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-L97 HydrophobicContact CB-CD2 4.11Å; L71-L97 HydrophobicContact CD1-CD2 3.97Å; L71-L97 HydrophobicContact CD2-CD2 3.91Å; L71-L97 HydrophobicContact CG-CD2 4.23Å; L71-L100 HydrophobicContact CD1-CD2 4.16Å; L71-W101 WeakPolarHBondContact O-CZ2 3.42Å
72	R	68.3	Low	78.3	Confident	77 Å²	77	67.1 Å²	67.1	29%	0.291	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.8	-177.9	-175.7	170.4	179.5	156.6	-7.9	113.4	M38 V69 G70 E249 H250	M38-R72 VanDerWaalsContact CE-NH1 3.25Å; V69-R72 PolarHBondContact O-N 3.33Å; G70-R72 PolarHBondContact O-N 3.39Å; R72-E249 PolarHBondContact NH1-O 3.32Å; R72-H250 VanDerWaalsContact NH2-C 3.33Å; R72-H250 PolarHBondContact NH2-O 3.07Å
73	Y	63.6	Low	78.4	Confident	122 Å²	122	64.3 Å²	64.3	48%	0.478	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-0.8	-173.2	-56.6	-73	0	0	0	112.9	V69 G70 L71 R75	V69-Y73 HydrophobicContact CG1-CE2 4.12Å; V69-Y73 VanDerWaalsContact O-CD2 3.24Å; V69-Y73 WeakPolarHBondContact O-CD2 3.5Å; V69-Y73 WeakPolarHBondContact O-CE2 3.47Å; G70-Y73 PolarHBondContact O-N 2.86Å; G70-Y73 VanDerWaalsContact O-N 3.11Å; L71-Y73 PolarHBondContact O-N 3.44Å; Y73-R75 PolarHBondContact O-N 2.87Å
74	L	76.5	Confident	78.7	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	29%	0.292	C	S	.	.			trans	-65.7	120.4	176.4	-80.4	169.5	0	0	0	111.2	F61 I66 G70 L71 D78 L79 L97	F61-L74 HydrophobicContact CD1-CD1 4.4Å; F61-L74 HydrophobicContact CE1-CD1 3.38Å; F61-L74 HydrophobicContact CZ-CD1 3.71Å; I66-L74 HydrophobicContact CD1-CD1 4.41Å; I66-L74 HydrophobicContact CD1-CD2 4.21Å; I66-L74 HydrophobicContact CG2-CD1 4.17Å; G70-L74 PolarHBondContact O-N 2.87Å; L71-L74 HydrophobicContact CD2-CD1 3.86Å; L71-L74 PolarHBondContact O-N 2.97Å; L74-D78 HydrophobicContact CD2-CB 4.05Å; L74-L79 HydrophobicContact CD1-CD2 4.2Å; L74-L79 HydrophobicContact CD2-CD2 4.07Å; L74-L79 HydrophobicContact CD2-CG 4.47Å; L74-L97 HydrophobicContact CB-CD1 4.35Å; L74-L97 HydrophobicContact CD1-CD1 4.14Å
75	R	78.6	Confident	78.9	Confident	127 Å²	127	63.5 Å²	63.5	48%	0.479	30%	0.302	S	S	.	.			trans	-106.5	168.9	170.1	-55.8	168.7	-65.6	146.3	8.7	109.9	Y73 E77 D78 L79	Y73-R75 PolarHBondContact O-N 2.87Å; R75-E77 VanDerWaalsContact C-N 3.25Å; R75-E77 IonicContact CZ-OE2 3.4Å; R75-E77 IonicContact NH1-OE2 3.59Å; R75-E77 PolarHBondContact NH1-OE2 2.86Å; R75-E77 IonicContact NH2-OE2 3.34Å; R75-E77 PolarHBondContact NH2-OE2 3.34Å; R75-E77 PolarHBondContact O-N 2.82Å; R75-D78 VanDerWaalsContact CB-OD2 3.24Å; R75-D78 WeakPolarHBondContact CB-OD2 3.26Å; R75-D78 IonicContact CZ-OD1 3.72Å; R75-D78 IonicContact CZ-OD2 2.89Å; R75-D78 PolarHBondContact N-OD2 3.18Å; R75-D78 IonicContact NE-OD1 2.86Å; R75-D78 IonicContact NE-OD2 3.18Å; R75-D78 PolarHBondContact NE-OD2 2.93Å; R75-D78 IonicContact NH2-OD1 3.75Å; R75-D78 PolarHBondContact NH2-OD1 2.99Å; R75-D78 IonicContact NH2-OD2 3.13Å; R75-D78 PolarHBondContact NH2-OD2 3.43Å; R75-D78 PolarHBondContact O-N 3.32Å; R75-L79 PolarHBondContact O-N 2.7Å
76	D	81	Confident	79.5	Confident	52 Å²	52	58.9 Å²	58.9	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-53.8	-44.2	175.8	-173.1	57.2	0	0	0	111.9	D78 L79 E80 R90 L94	D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 2.78Å; D76-L79 PolarHBondContact O-N 3.04Å; D76-E80 WeakPolarHBondContact O-CB 3.31Å; D76-E80 PolarHBondContact O-N 2.87Å; D76-R90 WeakPolarHBondContact OD1-CB 3.43Å; D76-R90 WeakPolarHBondContact OD1-CD 3.4Å; D76-R90 IonicContact OD1-CZ 3.34Å; D76-R90 IonicContact OD1-NE 3.57Å; D76-R90 PolarHBondContact OD1-NE 2.89Å; D76-R90 IonicContact OD1-NH2 2.73Å; D76-R90 IonicContact OD2-NE 3.65Å; D76-R90 IonicContact OD2-NH2 3.99Å; D76-L94 HydrophobicContact CB-CD1 4.16Å
77	E	82	Confident	79.8	Confident	102 Å²	102	62.5 Å²	62.5	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-35.6	175.9	-63.7	163.9	-166.3	0	0	113.1	R75 K81	R75-E77 VanDerWaalsContact C-N 3.25Å; R75-E77 IonicContact CZ-OE2 3.4Å; R75-E77 IonicContact NH1-OE2 3.59Å; R75-E77 PolarHBondContact NH1-OE2 2.86Å; R75-E77 IonicContact NH2-OE2 3.34Å; R75-E77 PolarHBondContact NH2-OE2 3.34Å; R75-E77 PolarHBondContact O-N 2.82Å; E77-K81 WeakPolarHBondContact O-CB 3.2Å; E77-K81 WeakPolarHBondContact O-CG 3.44Å; E77-K81 PolarHBondContact O-N 3.21Å
78	D	79.8	Confident	80	Confident	35 Å²	35	62 Å²	62	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-76.8	-40.2	-177.7	-52.9	-46.5	0	0	0	109.5	L74 R75 D76 E80 K81 I82	L74-D78 HydrophobicContact CD2-CB 4.05Å; R75-D78 VanDerWaalsContact CB-OD2 3.24Å; R75-D78 WeakPolarHBondContact CB-OD2 3.26Å; R75-D78 IonicContact CZ-OD1 3.72Å; R75-D78 IonicContact CZ-OD2 2.89Å; R75-D78 PolarHBondContact N-OD2 3.18Å; R75-D78 IonicContact NE-OD1 2.86Å; R75-D78 IonicContact NE-OD2 3.18Å; R75-D78 PolarHBondContact NE-OD2 2.93Å; R75-D78 IonicContact NH2-OD1 3.75Å; R75-D78 PolarHBondContact NH2-OD1 2.99Å; R75-D78 IonicContact NH2-OD2 3.13Å; R75-D78 PolarHBondContact NH2-OD2 3.43Å; R75-D78 PolarHBondContact O-N 3.32Å; D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 2.78Å; D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 3Å; D78-K81 PolarHBondContact O-N 2.82Å; D78-I82 WeakPolarHBondContact O-CG2 3.47Å; D78-I82 PolarHBondContact O-N 2.91Å
79	L	86.7	Confident	80.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-36.6	172	-65.8	172	0	0	0	112	F61 L74 R75 D76 I82 I84 R90 I93 L94	F61-L79 HydrophobicContact CE2-CD2 4.02Å; F61-L79 HydrophobicContact CZ-CD2 3.67Å; L74-L79 HydrophobicContact CD1-CD2 4.2Å; L74-L79 HydrophobicContact CD2-CD2 4.07Å; L74-L79 HydrophobicContact CD2-CG 4.47Å; R75-L79 PolarHBondContact O-N 2.7Å; D76-L79 PolarHBondContact O-N 3.04Å; L79-I82 HydrophobicContact CD2-CD1 4.05Å; L79-I82 VanDerWaalsContact O-CG1 3.26Å; L79-I82 WeakPolarHBondContact O-CG1 3.32Å; L79-I84 HydrophobicContact CD2-CD1 4.21Å; L79-I84 VanDerWaalsContact O-CB 3.28Å; L79-I84 WeakPolarHBondContact O-CB 3.34Å; L79-I84 PolarHBondContact O-N 2.8Å; L79-R90 HydrophobicContact CB-CB 4.48Å; L79-R90 HydrophobicContact CB-CG 3.91Å; L79-R90 HydrophobicContact CD1-CB 4.25Å; L79-I93 HydrophobicContact CD1-CB 4.4Å; L79-I93 HydrophobicContact CD1-CG2 4.18Å; L79-I93 HydrophobicContact CD2-CG2 4.12Å; L79-L94 HydrophobicContact CD1-CD1 4.17Å; L79-L94 HydrophobicContact CD1-CD2 3.8Å; L79-L94 HydrophobicContact CD1-CG 3.62Å
80	E	88.4	Confident	82	Confident	95 Å²	95	61.6 Å²	61.6	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-43	174	-174.5	160.3	-115.1	0	0	112	D76 D78 I82 G83 R90	D76-E80 WeakPolarHBondContact O-CB 3.31Å; D76-E80 PolarHBondContact O-N 2.87Å; D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 3Å; E80-I82 PolarHBondContact O-N 3.47Å; E80-G83 WeakPolarHBondContact O-CA 3.3Å; E80-G83 PolarHBondContact O-N 3.41Å; E80-R90 IonicContact OE1-CZ 3.79Å; E80-R90 IonicContact OE1-NH1 3.34Å; E80-R90 PolarHBondContact OE1-NH1 3.12Å; E80-R90 IonicContact OE1-NH2 2.78Å; E80-R90 PolarHBondContact OE1-NH2 2.74Å
81	K	86.1	Confident	82.8	Confident	153 Å²	153	64.9 Å²	64.9	67%	0.665	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-36.9	178	-77.4	168.7	-171.3	168.8	0	113.4	E77 D78 G83	E77-K81 WeakPolarHBondContact O-CB 3.2Å; E77-K81 WeakPolarHBondContact O-CG 3.44Å; E77-K81 PolarHBondContact O-N 3.21Å; D78-K81 PolarHBondContact O-N 2.82Å; K81-G83 PolarHBondContact O-N 2.84Å
82	I	86.9	Confident	83.4	Confident	31 Å²	31	69.7 Å²	69.7	16%	0.159	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	5.2	175	70.8	177.4	0	0	0	112.4	K60 F61 E64 I66 D78 L79 E80 I84	K60-I82 WeakPolarHBondContact CD-O 3.46Å; F61-I82 HydrophobicContact CD2-CD1 4.12Å; F61-I82 HydrophobicContact CE2-CD1 3.84Å; F61-I82 HydrophobicContact CZ-CD1 4.44Å; E64-I82 HydrophobicContact CB-CG2 4.41Å; E64-I82 HydrophobicContact CG-CB 4.08Å; E64-I82 HydrophobicContact CG-CG2 3.68Å; I66-I82 HydrophobicContact CD1-CD1 3.95Å; D78-I82 WeakPolarHBondContact O-CG2 3.47Å; D78-I82 PolarHBondContact O-N 2.91Å; L79-I82 HydrophobicContact CD2-CD1 4.05Å; L79-I82 VanDerWaalsContact O-CG1 3.26Å; L79-I82 WeakPolarHBondContact O-CG1 3.32Å; E80-I82 PolarHBondContact O-N 3.47Å; I82-I84 HydrophobicContact CD1-CD1 4.19Å; I82-I84 HydrophobicContact CG1-CD1 4.36Å; I82-I84 HydrophobicContact CG1-CG1 4.26Å
83	G	85.8	Confident	84.3	Confident	27 Å²	27	66 Å²	66	28%	0.278	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	12.7	167.8	0	0	0	0	0	115.2	K60 E80 K81 K85	K60-G83 VanDerWaalsContact NZ-C 3.28Å; K60-G83 PolarHBondContact NZ-O 3.1Å; E80-G83 WeakPolarHBondContact O-CA 3.3Å; E80-G83 PolarHBondContact O-N 3.41Å; K81-G83 PolarHBondContact O-N 2.84Å; G83-K85 PolarHBondContact O-N 3.05Å
84	I	89.5	Confident	85.1	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.			trans	-86.5	89.5	174.9	-51.2	-179.3	0	0	0	108.1	W57 K60 F61 L79 I82 D89 R90 I93	W57-I84 HydrophobicContact CB-CD1 4.19Å; W57-I84 HydrophobicContact CD2-CD1 3.9Å; W57-I84 HydrophobicContact CD2-CG1 4.13Å; W57-I84 HydrophobicContact CD2-CG2 4.2Å; W57-I84 HydrophobicContact CE3-CB 4.5Å; W57-I84 HydrophobicContact CE3-CD1 3.97Å; W57-I84 HydrophobicContact CE3-CG1 3.73Å; W57-I84 HydrophobicContact CE3-CG2 4.23Å; W57-I84 HydrophobicContact CG-CD1 4.04Å; W57-I84 HydrophobicContact CH2-CG2 4.02Å; W57-I84 HydrophobicContact CZ2-CG2 4.01Å; W57-I84 HydrophobicContact CZ3-CG1 4.13Å; W57-I84 HydrophobicContact CZ3-CG2 4.16Å; K60-I84 HydrophobicContact CD-CG1 3.86Å; F61-I84 HydrophobicContact CE2-CD1 4Å; L79-I84 HydrophobicContact CD2-CD1 4.21Å; L79-I84 VanDerWaalsContact O-CB 3.28Å; L79-I84 WeakPolarHBondContact O-CB 3.34Å; L79-I84 PolarHBondContact O-N 2.8Å; I82-I84 HydrophobicContact CD1-CD1 4.19Å; I82-I84 HydrophobicContact CG1-CD1 4.36Å; I82-I84 HydrophobicContact CG1-CG1 4.26Å; I84-D89 HydrophobicContact CG2-CB 4.07Å; I84-R90 HydrophobicContact CB-CG 4.08Å; I84-R90 HydrophobicContact CG2-CG 3.7Å; I84-R90 WeakPolarHBondContact O-CD 3.38Å; I84-R90 WeakPolarHBondContact O-CG 3.45Å; I84-R90 PolarHBondContact O-NH1 3.46Å; I84-I93 HydrophobicContact CD1-CD1 3.5Å; I84-I93 VanDerWaalsContact CD1-CD1 3.5Å; I84-I93 HydrophobicContact CG2-CD1 4.37Å
85	K	87.7	Confident	85.4	Confident	177 Å²	177	66.1 Å²	66.1	77%	0.77	33%	0.332	S	S	*	.			trans	-81.3	-25	-168.5	-64.2	-174	179.9	-178.2	0	114.5	G83 R90	G83-K85 PolarHBondContact O-N 3.05Å; K85-R90 PolarHBondContact O-NH1 3.45Å; K85-R90 VanDerWaalsContact O-NH1 3.12Å
86	C	91.7	Very high	85.6	Confident	64 Å²	64	60.3 Å²	60.3	43%	0.432	31%	0.311	S	S	.	.			trans	-80.6	125.5	-179	-178	0	0	0	0	110.1	G88 D89 R90	C86-G88 VanDerWaalsContact C-N 3.27Å; C86-G88 PolarHBondContact O-N 2.9Å; C86-D89 HydrophobicContact CB-CB 4.35Å; C86-D89 WeakPolarHBondContact CB-OD2 3.2Å; C86-D89 PolarHBondContact O-N 3.16Å; C86-R90 WeakPolarHBondContact O-CG 3.19Å; C86-R90 PolarHBondContact O-N 3.39Å
87	L	82.9	Confident	85.6	Confident	94 Å²	94	57.8 Å²	57.8	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-35.3	179	-177.4	65	0	0	0	112.3	D89 R90 L91	L87-D89 PolarHBondContact O-N 3.11Å; L87-R90 PolarHBondContact O-N 2.88Å; L87-L91 HydrophobicContact CD1-CD1 4.42Å; L87-L91 HydrophobicContact CD1-CG 4.3Å; L87-L91 HydrophobicContact CG-CD1 4.02Å; L87-L91 HydrophobicContact CG-CG 4.33Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.1Å
88	G	85.4	Confident	85.1	Confident	41 Å²	41	59.7 Å²	59.7	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-47.1	178.6	0	0	0	0	0	112.1	C86 L91 Q92	C86-G88 VanDerWaalsContact C-N 3.27Å; C86-G88 PolarHBondContact O-N 2.9Å; G88-L91 PolarHBondContact O-N 3.31Å; G88-Q92 WeakPolarHBondContact O-CB 3.37Å; G88-Q92 PolarHBondContact O-N 3.3Å
89	D	88.3	Confident	84.7	Confident	39 Å²	39	62.1 Å²	62.1	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-40.1	-178.1	-52	-26.3	0	0	0	111	W57 I84 C86 L87 L91 Q92 I93	W57-D89 HydrophobicContact CZ2-CB 3.53Å; W57-D89 WeakPolarHBondContact CZ2-OD2 3.14Å; I84-D89 HydrophobicContact CG2-CB 4.07Å; C86-D89 HydrophobicContact CB-CB 4.35Å; C86-D89 WeakPolarHBondContact CB-OD2 3.2Å; C86-D89 PolarHBondContact O-N 3.16Å; L87-D89 PolarHBondContact O-N 3.11Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-L91 PolarHBondContact O-N 2.9Å; D89-Q92 PolarHBondContact O-N 3.18Å; D89-I93 VanDerWaalsContact O-CG1 3.26Å; D89-I93 WeakPolarHBondContact O-CG1 3.46Å; D89-I93 PolarHBondContact O-N 3.33Å
90	R	91.1	Very high	83.9	Confident	14 Å²	14	63.1 Å²	63.1	5%	0.053	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-43.7	173.1	-66.3	-165.4	-63.1	-116.5	19.2	111.9	D76 L79 E80 I84 K85 C86 L87 Q92 I93 L94	D76-R90 WeakPolarHBondContact OD1-CB 3.43Å; D76-R90 WeakPolarHBondContact OD1-CD 3.4Å; D76-R90 IonicContact OD1-CZ 3.34Å; D76-R90 IonicContact OD1-NE 3.57Å; D76-R90 PolarHBondContact OD1-NE 2.89Å; D76-R90 IonicContact OD1-NH2 2.73Å; D76-R90 IonicContact OD2-NE 3.65Å; D76-R90 IonicContact OD2-NH2 3.99Å; L79-R90 HydrophobicContact CB-CB 4.48Å; L79-R90 HydrophobicContact CB-CG 3.91Å; L79-R90 HydrophobicContact CD1-CB 4.25Å; E80-R90 IonicContact OE1-CZ 3.79Å; E80-R90 IonicContact OE1-NH1 3.34Å; E80-R90 PolarHBondContact OE1-NH1 3.12Å; E80-R90 IonicContact OE1-NH2 2.78Å; E80-R90 PolarHBondContact OE1-NH2 2.74Å; I84-R90 HydrophobicContact CB-CG 4.08Å; I84-R90 HydrophobicContact CG2-CG 3.7Å; I84-R90 WeakPolarHBondContact O-CD 3.38Å; I84-R90 WeakPolarHBondContact O-CG 3.45Å; I84-R90 PolarHBondContact O-NH1 3.46Å; K85-R90 PolarHBondContact O-NH1 3.45Å; K85-R90 VanDerWaalsContact O-NH1 3.12Å; C86-R90 WeakPolarHBondContact O-CG 3.19Å; C86-R90 PolarHBondContact O-N 3.39Å; L87-R90 PolarHBondContact O-N 2.88Å; R90-Q92 VanDerWaalsContact C-N 3.34Å; R90-I93 PolarHBondContact O-N 2.95Å; R90-L94 WeakPolarHBondContact O-CB 3.28Å; R90-L94 VanDerWaalsContact O-CG 3.24Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.45Å
91	L	83.5	Confident	82.8	Confident	94 Å²	94	61.7 Å²	61.7	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-37.4	176.6	-72.2	174.5	0	0	0	112.1	L87 G88 D89 L94 H95	L87-L91 HydrophobicContact CD1-CD1 4.42Å; L87-L91 HydrophobicContact CD1-CG 4.3Å; L87-L91 HydrophobicContact CG-CD1 4.02Å; L87-L91 HydrophobicContact CG-CG 4.33Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.1Å; G88-L91 PolarHBondContact O-N 3.31Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-L91 PolarHBondContact O-N 2.9Å; L91-L94 PolarHBondContact O-N 3.28Å; L91-H95 WeakPolarHBondContact O-CB 3.38Å; L91-H95 PolarHBondContact O-N 3.44Å
92	Q	87.6	Confident	81.2	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-42.5	177.1	-167.6	178.5	-13.9	0	0	111.8	L54 G88 D89 R90 H95 S96	L54-Q92 HydrophobicContact CD2-CG 4.05Å; G88-Q92 WeakPolarHBondContact O-CB 3.37Å; G88-Q92 PolarHBondContact O-N 3.3Å; D89-Q92 PolarHBondContact O-N 3.18Å; R90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-H95 PolarHBondContact O-N 3.31Å; Q92-S96 WeakPolarHBondContact O-CB 3.28Å; Q92-S96 PolarHBondContact O-N 3Å
93	I	86.7	Confident	79.3	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-51	173.3	-65.3	167.2	0	0	0	110.1	L54 W57 F61 L79 I84 D89 R90 H95 S96 L97	L54-I93 HydrophobicContact CD1-CB 4.44Å; L54-I93 HydrophobicContact CD1-CG1 4.02Å; L54-I93 HydrophobicContact CD2-CG1 3.97Å; L54-I93 HydrophobicContact CG-CG1 4.49Å; W57-I93 HydrophobicContact CB-CD1 4.22Å; W57-I93 HydrophobicContact CD2-CD1 4.34Å; W57-I93 HydrophobicContact CG-CD1 3.73Å; F61-I93 HydrophobicContact CZ-CG2 4.05Å; L79-I93 HydrophobicContact CD1-CB 4.4Å; L79-I93 HydrophobicContact CD1-CG2 4.18Å; L79-I93 HydrophobicContact CD2-CG2 4.12Å; I84-I93 HydrophobicContact CD1-CD1 3.5Å; I84-I93 VanDerWaalsContact CD1-CD1 3.5Å; I84-I93 HydrophobicContact CG2-CD1 4.37Å; D89-I93 VanDerWaalsContact O-CG1 3.26Å; D89-I93 WeakPolarHBondContact O-CG1 3.46Å; D89-I93 PolarHBondContact O-N 3.33Å; R90-I93 PolarHBondContact O-N 2.95Å; I93-H95 PolarHBondContact O-N 3.11Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 2.99Å; I93-S96 VanDerWaalsContact O-N 3.16Å; I93-L97 HydrophobicContact CG2-CD1 4.06Å; I93-L97 HydrophobicContact CG2-CG 4.33Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.06Å
94	L	82.1	Confident	77.3	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-34.8	177.8	-70.6	171.9	0	0	0	112.3	D76 L79 R90 L91 R98	D76-L94 HydrophobicContact CB-CD1 4.16Å; L79-L94 HydrophobicContact CD1-CD1 4.17Å; L79-L94 HydrophobicContact CD1-CD2 3.8Å; L79-L94 HydrophobicContact CD1-CG 3.62Å; R90-L94 WeakPolarHBondContact O-CB 3.28Å; R90-L94 VanDerWaalsContact O-CG 3.24Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.45Å; L91-L94 PolarHBondContact O-N 3.28Å; L94-R98 WeakPolarHBondContact O-CB 3Å; L94-R98 WeakPolarHBondContact O-CG 3.41Å; L94-R98 PolarHBondContact O-N 3.45Å
95	H	82	Confident	75.6	Confident	124 Å²	124	69.7 Å²	69.7	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-67.2	-45.6	174.8	-179.2	78.1	0	0	0	111.8	L91 Q92 I93 R98 K99	L91-H95 WeakPolarHBondContact O-CB 3.38Å; L91-H95 PolarHBondContact O-N 3.44Å; Q92-H95 PolarHBondContact O-N 3.31Å; I93-H95 PolarHBondContact O-N 3.11Å; H95-R98 WeakPolarHBondContact O-CB 3.47Å; H95-R98 PolarHBondContact O-N 3.02Å; H95-K99 PolarHBondContact O-N 2.86Å
96	S	83.4	Confident	74.2	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.035	35%	0.348	C	S	.	.	H	α-helix	trans	-59.5	-46.3	174.1	-178.6	0	0	0	0	111	Y48 E52 Q92 I93 R98 K99 L100	Y48-S96 VanDerWaalsContact OH-C 3.25Å; Y48-S96 PolarHBondContact OH-O 3.28Å; Y48-S96 PolarHBondContact OH-OG 3.01Å; E52-S96 WeakPolarHBondContact CB-OG 3.13Å; E52-S96 WeakPolarHBondContact CG-OG 3.4Å; E52-S96 PolarHBondContact OE2-OG 3.48Å; Q92-S96 WeakPolarHBondContact O-CB 3.28Å; Q92-S96 PolarHBondContact O-N 3Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 2.99Å; I93-S96 VanDerWaalsContact O-N 3.16Å; S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.24Å; S96-K99 WeakPolarHBondContact O-CA 3.24Å; S96-K99 WeakPolarHBondContact O-CB 3.46Å; S96-K99 PolarHBondContact O-N 3.32Å; S96-L100 PolarHBondContact O-N 3.01Å
97	L	80.4	Confident	73.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-39.5	175.5	-65.1	179	0	0	0	112.4	Y48 L71 L74 I93 K99 L100 W101	Y48-L97 HydrophobicContact CE1-CD2 4.02Å; L71-L97 HydrophobicContact CB-CD2 4.11Å; L71-L97 HydrophobicContact CD1-CD2 3.97Å; L71-L97 HydrophobicContact CD2-CD2 3.91Å; L71-L97 HydrophobicContact CG-CD2 4.23Å; L74-L97 HydrophobicContact CB-CD1 4.35Å; L74-L97 HydrophobicContact CD1-CD1 4.14Å; I93-L97 HydrophobicContact CG2-CD1 4.06Å; I93-L97 HydrophobicContact CG2-CG 4.33Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.06Å; L97-K99 VanDerWaalsContact C-N 3.31Å; L97-K99 PolarHBondContact O-N 3.18Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 3.02Å; L97-W101 HydrophobicContact CB-CH2 4.28Å; L97-W101 HydrophobicContact CB-CZ2 3.88Å; L97-W101 VanDerWaalsContact O-CD1 3.31Å; L97-W101 PolarHBondContact O-N 3.47Å
98	R	72.3	Confident	73	Confident	142 Å²	142	66.5 Å²	66.5	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-38.5	172.7	-75.2	169.7	-170.5	-177.1	5	112.3	L94 H95 S96 W101 Q102	L94-R98 WeakPolarHBondContact O-CB 3Å; L94-R98 WeakPolarHBondContact O-CG 3.41Å; L94-R98 PolarHBondContact O-N 3.45Å; H95-R98 WeakPolarHBondContact O-CB 3.47Å; H95-R98 PolarHBondContact O-N 3.02Å; S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.24Å; R98-W101 HydrophobicContact CB-CE3 4.42Å; R98-W101 HydrophobicContact CG-CE3 3.97Å; R98-W101 HydrophobicContact CG-CZ3 3.89Å; R98-W101 PolarHBondContact O-N 2.89Å; R98-Q102 WeakPolarHBondContact O-CB 3.16Å; R98-Q102 VanDerWaalsContact O-CG 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.44Å; R98-Q102 PolarHBondContact O-N 3.21Å
99	K	70.9	Confident	73.1	Confident	86 Å²	86	68.7 Å²	68.7	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-41.5	175.7	-177.4	-174.6	163.2	-147.2	0	111.1	E52 H95 S96 L97 W101 Q102 I103	E52-K99 IonicContact OE1-NZ 3Å; E52-K99 PolarHBondContact OE1-NZ 3.17Å; E52-K99 IonicContact OE2-NZ 2.95Å; E52-K99 PolarHBondContact OE2-NZ 3.24Å; H95-K99 PolarHBondContact O-N 2.86Å; S96-K99 WeakPolarHBondContact O-CA 3.24Å; S96-K99 WeakPolarHBondContact O-CB 3.46Å; S96-K99 PolarHBondContact O-N 3.32Å; L97-K99 VanDerWaalsContact C-N 3.31Å; L97-K99 PolarHBondContact O-N 3.18Å; K99-W101 VanDerWaalsContact C-N 3.3Å; K99-W101 PolarHBondContact O-N 3.36Å; K99-Q102 PolarHBondContact O-N 3.02Å; K99-I103 HydrophobicContact CG-CD1 4.16Å; K99-I103 VanDerWaalsContact O-CG1 3.32Å; K99-I103 WeakPolarHBondContact O-CG1 3.21Å; K99-I103 PolarHBondContact O-N 3.45Å
100	L	70.1	Confident	73.3	Confident	21 Å²	21	70.9 Å²	70.9	11%	0.11	37%	0.369	C	S	.	.	H	α-helix	trans	-58.2	-42.7	170.9	-179.8	64.4	0	0	0	111.7	F37 W40 Y48 L71 S96 L97 I103 G104	F37-L100 HydrophobicContact CB-CD2 4.32Å; F37-L100 HydrophobicContact CG-CD2 4.31Å; F37-L100 HydrophobicContact CG-CG 4.48Å; W40-L100 HydrophobicContact CH2-CD1 3.78Å; W40-L100 HydrophobicContact CH2-CD2 4.23Å; W40-L100 HydrophobicContact CZ3-CD1 4.3Å; W40-L100 HydrophobicContact CZ3-CD2 3.89Å; Y48-L100 HydrophobicContact CD1-CD2 4.27Å; Y48-L100 HydrophobicContact CD2-CD1 4.04Å; Y48-L100 HydrophobicContact CD2-CD2 4.27Å; Y48-L100 HydrophobicContact CE1-CD2 3.96Å; Y48-L100 HydrophobicContact CE2-CB 3.96Å; Y48-L100 HydrophobicContact CE2-CD1 3.64Å; Y48-L100 HydrophobicContact CE2-CD2 3.93Å; Y48-L100 HydrophobicContact CE2-CG 4.05Å; Y48-L100 HydrophobicContact CG-CD2 4.43Å; Y48-L100 WeakPolarHBondContact OH-CB 3.09Å; L71-L100 HydrophobicContact CD1-CD2 4.16Å; S96-L100 PolarHBondContact O-N 3.01Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 3.02Å; L100-I103 PolarHBondContact O-N 3.08Å; L100-G104 PolarHBondContact O-N 3.41Å
101	W	64.4	Low	73.4	Confident	64 Å²	64	72.1 Å²	72.1	24%	0.242	37%	0.374	C	S	.	.	H	α-helix	trans	-69.2	-35.3	176.5	-55.9	-24.6	0	0	0	112.6	L71 L97 R98 K99 I103 G104 A105	L71-W101 WeakPolarHBondContact O-CZ2 3.42Å; L97-W101 HydrophobicContact CB-CH2 4.28Å; L97-W101 HydrophobicContact CB-CZ2 3.88Å; L97-W101 VanDerWaalsContact O-CD1 3.31Å; L97-W101 PolarHBondContact O-N 3.47Å; R98-W101 HydrophobicContact CB-CE3 4.42Å; R98-W101 HydrophobicContact CG-CE3 3.97Å; R98-W101 HydrophobicContact CG-CZ3 3.89Å; R98-W101 PolarHBondContact O-N 2.89Å; K99-W101 VanDerWaalsContact C-N 3.3Å; K99-W101 PolarHBondContact O-N 3.36Å; W101-I103 VanDerWaalsContact C-N 3.33Å; W101-G104 PolarHBondContact O-N 3.21Å; W101-A105 WeakPolarHBondContact O-CB 3.48Å; W101-A105 PolarHBondContact O-N 3.36Å
102	Q	53.2	Low	74.1	Confident	155 Å²	155	73.7 Å²	73.7	72%	0.724	38%	0.383	S	S	*	.	H	α-helix	trans	-70	-28.2	177.3	-78.1	177.1	2	0	0	113.2	R98 K99 G104	R98-Q102 WeakPolarHBondContact O-CB 3.16Å; R98-Q102 VanDerWaalsContact O-CG 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.44Å; R98-Q102 PolarHBondContact O-N 3.21Å; K99-Q102 PolarHBondContact O-N 3.02Å; Q102-G104 VanDerWaalsContact C-N 3.33Å
103	I	46.7	Very low	74.6	Confident	120 Å²	120	69.3 Å²	69.3	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-77.8	-21.2	176.6	-66.3	166.2	0	0	0	111.5	K99 L100 W101	K99-I103 HydrophobicContact CG-CD1 4.16Å; K99-I103 VanDerWaalsContact O-CG1 3.32Å; K99-I103 WeakPolarHBondContact O-CG1 3.21Å; K99-I103 PolarHBondContact O-N 3.45Å; L100-I103 PolarHBondContact O-N 3.08Å; W101-I103 VanDerWaalsContact C-N 3.33Å
104	G	43.8	Very low	75.1	Confident	39 Å²	39	73.1 Å²	73.1	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-112.8	-5.2	178.9	0	0	0	0	0	116.4	L100 W101 Q102 E106	L100-G104 PolarHBondContact O-N 3.41Å; W101-G104 PolarHBondContact O-N 3.21Å; Q102-G104 VanDerWaalsContact C-N 3.33Å; G104-E106 PolarHBondContact O-N 3.23Å
105	A	52.6	Low	75.9	Confident	66 Å²	66	73.3 Å²	73.3	55%	0.545	39%	0.389	S	S	.	.			trans	-77.1	114.6	180	0	0	0	0	0	109.9	W101	W101-A105 WeakPolarHBondContact O-CB 3.48Å; W101-A105 PolarHBondContact O-N 3.36Å
106	E	59	Low	76.6	Confident	102 Å²	102	68 Å²	68	48%	0.477	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-51	127.8	163.9	-75.5	-175	175	0	0	108.1	G104 P123 K127	G104-E106 PolarHBondContact O-N 3.23Å; E106-P123 HydrophobicContact CB-CB 3.78Å; E106-P123 HydrophobicContact CB-CG 3.66Å; E106-P123 WeakPolarHBondContact O-CG 3.3Å; E106-P123 WeakPolarHBondContact OE2-CB 3.42Å; E106-K127 IonicContact OE1-NZ 3.44Å; E106-K127 PolarHBondContact OE1-NZ 3.4Å; E106-K127 WeakPolarHBondContact OE2-CE 3.49Å; E106-K127 IonicContact OE2-NZ 3.76Å; E106-K127 PolarHBondContact OE2-NZ 2.76Å
107	P	68.8	Low	77.2	Confident	115 Å²	115	69.2 Å²	69.2	75%	0.747	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-64.9	142.3	-178.2	25.6	-33.1	0	0	0	110.4
108	S	80.1	Confident	77.9	Confident	51 Å²	51	75.9 Å²	75.9	36%	0.357	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-56.2	142.6	169.9	-54.1	0	0	0	0	110.2	E120 L121	S108-E120 WeakPolarHBondContact CB-OE1 3.38Å; S108-E120 PolarHBondContact OG-OE1 2.94Å; S108-L121 WeakPolarHBondContact CA-O 3.24Å; S108-L121 WeakPolarHBondContact CB-O 3.33Å
109	K	88.1	Confident	79	Confident	87 Å²	87	69.1 Å²	69.1	38%	0.378	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.8	175.5	-169.5	175.1	-176.7	176.6	0	109.3	F111 L121 I126 D130	K109-F111 HydrophobicContact CB-CE2 4.47Å; K109-F111 HydrophobicContact CD-CE2 4.13Å; K109-F111 HydrophobicContact CD-CZ 4.17Å; K109-F111 HydrophobicContact CG-CE2 4.17Å; K109-L121 PolarHBondContact N-O 2.96Å; K109-L121 VanDerWaalsContact N-O 3.1Å; K109-L121 PolarHBondContact O-N 2.86Å; K109-I126 HydrophobicContact CB-CD1 3.74Å; K109-I126 HydrophobicContact CB-CG1 3.76Å; K109-I126 HydrophobicContact CD-CD1 3.98Å; K109-I126 HydrophobicContact CD-CG1 4.19Å; K109-I126 HydrophobicContact CD-CG2 3.86Å; K109-I126 HydrophobicContact CG-CD1 4.39Å; K109-D130 IonicContact NZ-OD2 3.04Å
110	V	92	Very high	79.9	Confident	85 Å²	85	70.9 Å²	70.9	52%	0.515	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123	178.7	-177.9	0	0	0	0	109.4	H118 V119	V110-H118 HydrophobicContact CG1-CB 3.98Å; V110-V119 CarbonylContact C-O 3.47Å; V110-V119 WeakPolarHBondContact CA-O 3.22Å
111	F	94.4	Very high	80.9	Confident	39 Å²	39	70 Å²	70	17%	0.171	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147	168.3	-68.9	-99	0	0	0	109.5	K109 H118 V119 L121 I126 I129 I162	K109-F111 HydrophobicContact CB-CE2 4.47Å; K109-F111 HydrophobicContact CD-CE2 4.13Å; K109-F111 HydrophobicContact CD-CZ 4.17Å; K109-F111 HydrophobicContact CG-CE2 4.17Å; F111-H118 WeakPolarHBondContact O-CA 3.24Å; F111-V119 HydrophobicContact CB-CB 4.29Å; F111-V119 PolarHBondContact N-O 3.34Å; F111-V119 PolarHBondContact O-N 2.92Å; F111-L121 HydrophobicContact CD2-CD1 3.89Å; F111-L121 HydrophobicContact CD2-CG 4.26Å; F111-L121 HydrophobicContact CE2-CD1 3.76Å; F111-L121 HydrophobicContact CE2-CG 4.41Å; F111-I126 HydrophobicContact CE2-CD1 3.64Å; F111-I126 HydrophobicContact CZ-CD1 4.21Å; F111-I129 HydrophobicContact CE2-CD1 4.46Å; F111-I129 HydrophobicContact CZ-CD1 4.34Å; F111-I162 HydrophobicContact CD1-CD1 4.34Å; F111-I162 HydrophobicContact CE1-CD1 4.15Å
112	N	97.2	Very high	82.1	Confident	127 Å²	127	69.5 Å²	69.5	68%	0.679	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.9	168	-175	37.5	0	0	0	108.4
113	D	98.1	Very high	83.8	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.053	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.5	178.9	-178.5	-66.1	0	0	0	109.4	I115 H116 G117 V119 R312	D113-I115 PolarHBondContact O-N 2.84Å; D113-I115 WeakPolarHBondContact OD1-CA 3.23Å; D113-I115 WeakPolarHBondContact OD1-CB 3.43Å; D113-I115 PolarHBondContact OD1-N 3.16Å; D113-H116 HydrophobicContact CB-CB 4.33Å; D113-H116 PolarHBondContact O-N 2.81Å; D113-H116 PolarHBondContact OD1-N 3.13Å; D113-G117 PolarHBondContact N-O 3.35Å; D113-G117 VanDerWaalsContact O-CA 3.24Å; D113-G117 WeakPolarHBondContact O-CA 3.21Å; D113-G117 PolarHBondContact O-N 2.94Å; D113-V119 HydrophobicContact CB-CG2 4.05Å; D113-R312 IonicContact OD1-NH1 3.68Å; D113-R312 IonicContact OD1-NH2 3.23Å; D113-R312 IonicContact OD2-CZ 3.59Å; D113-R312 IonicContact OD2-NH1 3.76Å; D113-R312 PolarHBondContact OD2-NH1 3.28Å; D113-R312 IonicContact OD2-NH2 3.89Å; D113-R312 PolarHBondContact OD2-NH2 2.87Å
114	P	97.8	Very high	85.9	Confident	80 Å²	80	56.9 Å²	56.9	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.1	-177.2	26.7	-34.8	0	0	0	114.2	Y315	P114-Y315 HydrophobicContact CB-CE1 4.32Å
115	I	98.1	Very high	88.4	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.108	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-40.7	179.9	-47	-54.2	0	0	0	110.6	D113 A311 R312 Y315	D113-I115 PolarHBondContact O-N 2.84Å; D113-I115 WeakPolarHBondContact OD1-CA 3.23Å; D113-I115 WeakPolarHBondContact OD1-CB 3.43Å; D113-I115 PolarHBondContact OD1-N 3.16Å; I115-A311 HydrophobicContact CG2-CB 3.59Å; I115-R312 HydrophobicContact CD1-CB 4.42Å; I115-R312 HydrophobicContact CD1-CG 4.46Å; I115-R312 HydrophobicContact CG1-CB 4.07Å; I115-R312 HydrophobicContact CG1-CG 4.1Å; I115-Y315 VanDerWaalsContact CD1-CB 3.48Å; I115-Y315 HydrophobicContact CD1-CD1 3.78Å; I115-Y315 HydrophobicContact CD1-CD2 4.18Å; I115-Y315 HydrophobicContact CD1-CG 3.54Å
116	H	97.3	Very high	90.6	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.06	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-8.2	-170.2	-62.4	-26.8	0	0	0	115	D113 V119 Y166 D308 Y325	D113-H116 HydrophobicContact CB-CB 4.33Å; D113-H116 PolarHBondContact O-N 2.81Å; D113-H116 PolarHBondContact OD1-N 3.13Å; H116-V119 HydrophobicContact CB-CG2 3.75Å; H116-Y166 HydrophobicContact CB-CD1 4.05Å; H116-Y166 HydrophobicContact CB-CE1 3.87Å; H116-Y166 AromaticContact CD2-CD1 3.76Å; H116-Y166 AromaticContact CG-CD1 3.95Å; H116-D308 IonicContact CD2-OD1 3.03Å; H116-D308 IonicContact CE1-OD1 3.44Å; H116-D308 IonicContact NE2-OD1 3.58Å; H116-D308 PolarHBondContact NE2-OD1 3.46Å; H116-Y325 AromaticContact ND1-CZ 3.93Å; H116-Y325 PolarHBondContact ND1-OH 3.03Å
117	G	96.8	Very high	92.4	Very high	30 Å²	30	51.2 Å²	51.2	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.7	-137	-172.8	0	0	0	0	0	111.2	D113 V119	D113-G117 PolarHBondContact N-O 3.35Å; D113-G117 VanDerWaalsContact O-CA 3.24Å; D113-G117 WeakPolarHBondContact O-CA 3.21Å; D113-G117 PolarHBondContact O-N 2.94Å; G117-V119 PolarHBondContact O-N 3.01Å
118	H	95.1	Very high	93.8	Very high	141 Å²	141	45.8 Å²	45.8	65%	0.653	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.4	177.6	-62.7	-51.5	0	0	0	111.3	V110 F111	V110-H118 HydrophobicContact CG1-CB 3.98Å; F111-H118 WeakPolarHBondContact O-CA 3.24Å
119	V	94.4	Very high	94.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.6	179.7	171.9	0	0	0	0	108.5	V110 F111 D113 H116 G117 L121 I162 Y166	V110-V119 CarbonylContact C-O 3.47Å; V110-V119 WeakPolarHBondContact CA-O 3.22Å; F111-V119 HydrophobicContact CB-CB 4.29Å; F111-V119 PolarHBondContact N-O 3.34Å; F111-V119 PolarHBondContact O-N 2.92Å; D113-V119 HydrophobicContact CB-CG2 4.05Å; H116-V119 HydrophobicContact CB-CG2 3.75Å; G117-V119 PolarHBondContact O-N 3.01Å; V119-L121 HydrophobicContact CG1-CD2 3.8Å; V119-L121 HydrophobicContact CG1-CG 3.97Å; V119-I162 HydrophobicContact CG1-CG2 4.31Å; V119-Y166 HydrophobicContact CB-CD2 4.34Å; V119-Y166 HydrophobicContact CB-CG 4.47Å; V119-Y166 HydrophobicContact CG1-CD2 3.73Å; V119-Y166 HydrophobicContact CG1-CG 3.81Å; V119-Y166 HydrophobicContact CG2-CD1 4.13Å; V119-Y166 HydrophobicContact CG2-CD2 4.19Å; V119-Y166 HydrophobicContact CG2-CE1 4.42Å; V119-Y166 HydrophobicContact CG2-CE2 4.48Å; V119-Y166 HydrophobicContact CG2-CG 3.99Å
120	E	89.2	Confident	95.2	Very high	122 Å²	122	43.5 Å²	43.5	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.4	175.8	-172.5	-178.7	169.1	0	0	110.1	S108	S108-E120 WeakPolarHBondContact CB-OE1 3.38Å; S108-E120 PolarHBondContact OG-OE1 2.94Å
121	L	91	Very high	95.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.5	179.7	-61.5	-176.3	0	0	0	111.5	S108 K109 F111 V119 L125 I126 I129 I162	S108-L121 WeakPolarHBondContact CA-O 3.24Å; S108-L121 WeakPolarHBondContact CB-O 3.33Å; K109-L121 PolarHBondContact N-O 2.96Å; K109-L121 VanDerWaalsContact N-O 3.1Å; K109-L121 PolarHBondContact O-N 2.86Å; F111-L121 HydrophobicContact CD2-CD1 3.89Å; F111-L121 HydrophobicContact CD2-CG 4.26Å; F111-L121 HydrophobicContact CE2-CD1 3.76Å; F111-L121 HydrophobicContact CE2-CG 4.41Å; V119-L121 HydrophobicContact CG1-CD2 3.8Å; V119-L121 HydrophobicContact CG1-CG 3.97Å; L121-L125 HydrophobicContact CB-CB 4.4Å; L121-L125 HydrophobicContact CB-CD1 4.25Å; L121-L125 HydrophobicContact CD2-CD1 4.05Å; L121-I126 HydrophobicContact CB-CD1 3.77Å; L121-I126 HydrophobicContact CD1-CD1 4.28Å; L121-I129 HydrophobicContact CD1-CD1 3.56Å; L121-I162 HydrophobicContact CD1-CG2 4.23Å
122	H	89.9	Confident	95.7	Very high	54 Å²	54	41.1 Å²	41.1	25%	0.25	22%	0.221	C	C	.	.			trans	-64.4	145.7	177.9	179.9	-89.2	0	0	0	111.8	L124 L125 I126 L190 H250	H122-L124 VanDerWaalsContact C-N 3.29Å; H122-L124 WeakPolarHBondContact ND1-CB 3.36Å; H122-L124 PolarHBondContact ND1-N 2.94Å; H122-L124 VanDerWaalsContact ND1-N 3.13Å; H122-L124 PolarHBondContact O-N 3.3Å; H122-L124 VanDerWaalsContact O-N 3.16Å; H122-L125 HydrophobicContact CB-CD1 4.24Å; H122-L125 HydrophobicContact CB-CG 4.37Å; H122-L125 WeakPolarHBondContact O-CA 3.3Å; H122-L125 VanDerWaalsContact O-CB 3.3Å; H122-L125 WeakPolarHBondContact O-CB 3.47Å; H122-L125 PolarHBondContact O-N 3.06Å; H122-I126 PolarHBondContact O-N 3.38Å; H122-L190 HydrophobicContact CB-CD2 3.85Å; H122-H250 AromaticContact CE1-CD2 3.3Å; H122-H250 PolarHBondContact CE1-CD2 2.93Å; H122-H250 AromaticContact CE1-CG 3.98Å; H122-H250 AromaticContact NE2-CD2 3.93Å
123	P	89.2	Confident	95.8	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-53.4	-38.4	-176.3	-27.6	33.5	0	0	0	115.2	E106 L125 I126 K127	E106-P123 HydrophobicContact CB-CB 3.78Å; E106-P123 HydrophobicContact CB-CG 3.66Å; E106-P123 WeakPolarHBondContact O-CG 3.3Å; E106-P123 WeakPolarHBondContact OE2-CB 3.42Å; P123-L125 VanDerWaalsContact C-N 3.29Å; P123-L125 PolarHBondContact O-N 2.75Å; P123-I126 WeakPolarHBondContact O-CA 3.45Å; P123-I126 WeakPolarHBondContact O-CB 3.36Å; P123-I126 PolarHBondContact O-N 3.23Å; P123-K127 PolarHBondContact O-N 3.13Å
124	L	91.4	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-39.9	173.9	-179.1	62.2	0	0	0	112.7	H122 I126 K127 I128 I194 V246 M247 H250 L252	H122-L124 VanDerWaalsContact C-N 3.29Å; H122-L124 WeakPolarHBondContact ND1-CB 3.36Å; H122-L124 PolarHBondContact ND1-N 2.94Å; H122-L124 VanDerWaalsContact ND1-N 3.13Å; H122-L124 PolarHBondContact O-N 3.3Å; H122-L124 VanDerWaalsContact O-N 3.16Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 2.85Å; L124-K127 PolarHBondContact O-N 3Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.48Å; L124-I194 HydrophobicContact CD2-CD1 3.95Å; L124-V246 HydrophobicContact CD1-CG1 3.98Å; L124-M247 HydrophobicContact CD1-CG 3.93Å; L124-M247 HydrophobicContact CD2-CG 4.36Å; L124-H250 HydrophobicContact CB-CB 4.41Å; L124-H250 HydrophobicContact CD2-CB 4.03Å; L124-L252 HydrophobicContact CD2-CD1 3.91Å; L124-L252 HydrophobicContact CD2-CD2 4.3Å
125	L	96.9	Very high	95.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-36.4	175.8	-59.9	172.9	0	0	0	110.3	L121 H122 P123 I128 I129 Q193 I194 L197	L121-L125 HydrophobicContact CB-CB 4.4Å; L121-L125 HydrophobicContact CB-CD1 4.25Å; L121-L125 HydrophobicContact CD2-CD1 4.05Å; H122-L125 HydrophobicContact CB-CD1 4.24Å; H122-L125 HydrophobicContact CB-CG 4.37Å; H122-L125 WeakPolarHBondContact O-CA 3.3Å; H122-L125 VanDerWaalsContact O-CB 3.3Å; H122-L125 WeakPolarHBondContact O-CB 3.47Å; H122-L125 PolarHBondContact O-N 3.06Å; P123-L125 VanDerWaalsContact C-N 3.29Å; P123-L125 PolarHBondContact O-N 2.75Å; L125-I128 PolarHBondContact O-N 3.07Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 2.66Å; L125-Q193 HydrophobicContact CD1-CB 3.99Å; L125-Q193 HydrophobicContact CD2-CB 4.03Å; L125-I194 HydrophobicContact CD2-CB 4.44Å; L125-I194 HydrophobicContact CD2-CG1 3.56Å; L125-L197 HydrophobicContact CB-CD2 4.33Å; L125-L197 HydrophobicContact CD2-CD2 4.12Å
126	I	97.4	Very high	95.9	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.097	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-43.3	176.7	-53.4	-47.3	0	0	0	111.2	K109 F111 L121 H122 P123 L124 I128 I129 D130	K109-I126 HydrophobicContact CB-CD1 3.74Å; K109-I126 HydrophobicContact CB-CG1 3.76Å; K109-I126 HydrophobicContact CD-CD1 3.98Å; K109-I126 HydrophobicContact CD-CG1 4.19Å; K109-I126 HydrophobicContact CD-CG2 3.86Å; K109-I126 HydrophobicContact CG-CD1 4.39Å; F111-I126 HydrophobicContact CE2-CD1 3.64Å; F111-I126 HydrophobicContact CZ-CD1 4.21Å; L121-I126 HydrophobicContact CB-CD1 3.77Å; L121-I126 HydrophobicContact CD1-CD1 4.28Å; H122-I126 PolarHBondContact O-N 3.38Å; P123-I126 WeakPolarHBondContact O-CA 3.45Å; P123-I126 WeakPolarHBondContact O-CB 3.36Å; P123-I126 PolarHBondContact O-N 3.23Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 2.85Å; I126-I128 PolarHBondContact O-N 3.37Å; I126-I129 HydrophobicContact CD1-CD1 4.13Å; I126-I129 PolarHBondContact O-N 3.14Å; I126-I129 VanDerWaalsContact O-N 3.11Å; I126-D130 VanDerWaalsContact CG2-OD2 3.3Å; I126-D130 WeakPolarHBondContact CG2-OD2 3.24Å; I126-D130 WeakPolarHBondContact O-CB 3.4Å; I126-D130 PolarHBondContact O-N 2.93Å
127	K	96.6	Very high	96	Very high	67 Å²	67	32.1 Å²	32.1	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-29.5	175.9	-66.2	179.2	-164.6	-79.2	0	112.4	E106 P123 L124 T131 L243 V246	E106-K127 IonicContact OE1-NZ 3.44Å; E106-K127 PolarHBondContact OE1-NZ 3.4Å; E106-K127 WeakPolarHBondContact OE2-CE 3.49Å; E106-K127 IonicContact OE2-NZ 3.76Å; E106-K127 PolarHBondContact OE2-NZ 2.76Å; P123-K127 PolarHBondContact O-N 3.13Å; L124-K127 PolarHBondContact O-N 3Å; K127-T131 VanDerWaalsContact O-CG2 3.28Å; K127-T131 WeakPolarHBondContact O-CG2 3.47Å; K127-L243 HydrophobicContact CB-CD2 4.4Å; K127-V246 HydrophobicContact CD-CG1 3.47Å; K127-V246 VanDerWaalsContact CD-CG1 3.47Å
128	I	98.6	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-75	-44.4	171.1	-67.3	166.9	0	0	0	111.1	L124 L125 I126 D130 T131 F134 I194 L197 L237 L243	L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.48Å; L125-I128 PolarHBondContact O-N 3.07Å; I126-I128 PolarHBondContact O-N 3.37Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.48Å; I128-T131 WeakPolarHBondContact O-CG2 3.42Å; I128-T131 PolarHBondContact O-OG1 2.96Å; I128-F134 WeakPolarHBondContact O-CB 3.21Å; I128-I194 HydrophobicContact CD1-CB 4.48Å; I128-I194 HydrophobicContact CD1-CD1 4.15Å; I128-I194 HydrophobicContact CD1-CG1 3.83Å; I128-I194 HydrophobicContact CD1-CG2 3.85Å; I128-L197 HydrophobicContact CB-CD2 4.24Å; I128-L197 HydrophobicContact CG2-CD2 3.84Å; I128-L237 HydrophobicContact CG1-CD2 4.47Å; I128-L237 HydrophobicContact CG2-CD1 4.08Å; I128-L237 HydrophobicContact CG2-CD2 4.11Å; I128-L243 HydrophobicContact CG1-CD1 3.84Å
129	I	98.7	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-43.2	179.9	-72.4	165.5	0	0	0	111.1	F111 L121 L125 I126 T131 F134 Q135 F158 I162 L197	F111-I129 HydrophobicContact CE2-CD1 4.46Å; F111-I129 HydrophobicContact CZ-CD1 4.34Å; L121-I129 HydrophobicContact CD1-CD1 3.56Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 2.66Å; I126-I129 HydrophobicContact CD1-CD1 4.13Å; I126-I129 PolarHBondContact O-N 3.14Å; I126-I129 VanDerWaalsContact O-N 3.11Å; I129-T131 PolarHBondContact O-N 2.71Å; I129-F134 HydrophobicContact CB-CD1 4.05Å; I129-F134 HydrophobicContact CB-CE1 4.21Å; I129-F134 HydrophobicContact CG1-CD1 4.07Å; I129-F134 HydrophobicContact CG1-CE1 3.8Å; I129-F134 HydrophobicContact CG1-CZ 4.16Å; I129-F134 HydrophobicContact CG2-CD1 3.94Å; I129-F134 HydrophobicContact CG2-CE1 4Å; I129-F134 WeakPolarHBondContact O-CD1 3.25Å; I129-Q135 WeakPolarHBondContact O-CG 3.15Å; I129-Q135 PolarHBondContact O-NE2 2.91Å; I129-F158 HydrophobicContact CG2-CE2 4.04Å; I129-F158 HydrophobicContact CG2-CZ 4.04Å; I129-I162 HydrophobicContact CD1-CG1 4.14Å; I129-L197 HydrophobicContact CD1-CD1 4.09Å; I129-L197 HydrophobicContact CD1-CD2 4.3Å; I129-L197 HydrophobicContact CG1-CD1 3.96Å; I129-L197 HydrophobicContact CG1-CD2 3.83Å; I129-L197 HydrophobicContact CG1-CG 4.43Å
130	D	98.4	Very high	96.4	Very high	90 Å²	90	33.6 Å²	33.6	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	40.2	-175	-66.9	-19.4	0	0	0	111.8	K109 I126 I128	K109-D130 IonicContact NZ-OD2 3.04Å; I126-D130 VanDerWaalsContact CG2-OD2 3.3Å; I126-D130 WeakPolarHBondContact CG2-OD2 3.24Å; I126-D130 WeakPolarHBondContact O-CB 3.4Å; I126-D130 PolarHBondContact O-N 2.93Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.48Å
131	T	98.8	Very high	96.9	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.147	C	C	.	.	S	Bend	trans	-115.8	151.5	173.7	62.6	0	0	0	0	111.4	K127 I128 I129 Q133 F134 Q135 L237 N241	K127-T131 VanDerWaalsContact O-CG2 3.28Å; K127-T131 WeakPolarHBondContact O-CG2 3.47Å; I128-T131 WeakPolarHBondContact O-CG2 3.42Å; I128-T131 PolarHBondContact O-OG1 2.96Å; I129-T131 PolarHBondContact O-N 2.71Å; T131-Q133 PolarHBondContact O-N 3.05Å; T131-F134 PolarHBondContact O-N 3.26Å; T131-F134 PolarHBondContact OG1-N 3.39Å; T131-Q135 WeakPolarHBondContact O-CB 3.27Å; T131-Q135 WeakPolarHBondContact O-CG 3.39Å; T131-Q135 PolarHBondContact O-N 3.29Å; T131-L237 HydrophobicContact CG2-CD2 4.01Å; T131-L237 HydrophobicContact CG2-CG 4.16Å; T131-L237 WeakPolarHBondContact OG1-CD1 3.06Å; T131-N241 HydrophobicContact CG2-CB 4.06Å; T131-N241 VanDerWaalsContact CG2-CG 3.48Å
132	P	98.8	Very high	97.2	Very high	72 Å²	72	30.2 Å²	30.2	47%	0.468	15%	0.148	S	C	.	.	H	α-helix	trans	-54.5	-39.9	175.2	-26.3	34.5	0	0	0	113.4	F134 Q135 R136 T414	P132-F134 VanDerWaalsContact C-N 3.31Å; P132-F134 PolarHBondContact O-N 3.47Å; P132-Q135 PolarHBondContact O-N 3.4Å; P132-R136 PolarHBondContact O-N 2.84Å; P132-T414 HydrophobicContact CB-CG2 4.18Å
133	Q	98.8	Very high	97.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-35.7	-177.7	-64.7	79.2	10.8	0	0	112.2	T131 R136 M233 Y236 L237 D240 N241 T414	T131-Q133 PolarHBondContact O-N 3.05Å; Q133-R136 WeakPolarHBondContact O-CD 3.43Å; Q133-R136 VanDerWaalsContact O-CG 3.29Å; Q133-R136 WeakPolarHBondContact O-CG 3.48Å; Q133-M233 HydrophobicContact CB-CG 4.24Å; Q133-M233 HydrophobicContact CB-SD 3.61Å; Q133-M233 HydrophobicContact CG-SD 3.58Å; Q133-M233 VanDerWaalsContact CG-SD 3.58Å; Q133-Y236 HydrophobicContact CG-CD1 3.6Å; Q133-Y236 HydrophobicContact CG-CE1 3.76Å; Q133-L237 HydrophobicContact CB-CB 3.8Å; Q133-L237 HydrophobicContact CB-CD1 3.82Å; Q133-L237 HydrophobicContact CB-CG 3.87Å; Q133-L237 HydrophobicContact CG-CB 3.98Å; Q133-L237 HydrophobicContact CG-CG 4.41Å; Q133-D240 PolarHBondContact NE2-OD2 3.05Å; Q133-N241 PolarHBondContact OE1-ND2 2.89Å; Q133-T414 HydrophobicContact CG-CG2 4.45Å
134	F	98.9	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-86	-43.3	174.5	-167.7	-87.1	0	0	0	112.2	I128 I129 T131 P132 R136 L137 F158 I162 L197 L201 L237	I128-F134 WeakPolarHBondContact O-CB 3.21Å; I129-F134 HydrophobicContact CB-CD1 4.05Å; I129-F134 HydrophobicContact CB-CE1 4.21Å; I129-F134 HydrophobicContact CG1-CD1 4.07Å; I129-F134 HydrophobicContact CG1-CE1 3.8Å; I129-F134 HydrophobicContact CG1-CZ 4.16Å; I129-F134 HydrophobicContact CG2-CD1 3.94Å; I129-F134 HydrophobicContact CG2-CE1 4Å; I129-F134 WeakPolarHBondContact O-CD1 3.25Å; T131-F134 PolarHBondContact O-N 3.26Å; T131-F134 PolarHBondContact OG1-N 3.39Å; P132-F134 VanDerWaalsContact C-N 3.31Å; P132-F134 PolarHBondContact O-N 3.47Å; F134-R136 PolarHBondContact O-N 2.93Å; F134-R136 VanDerWaalsContact O-N 3.16Å; F134-L137 HydrophobicContact CD2-CD1 4.31Å; F134-L137 HydrophobicContact CE2-CD1 4.12Å; F134-L137 HydrophobicContact CZ-CD1 4.41Å; F134-L137 WeakPolarHBondContact O-CB 3.32Å; F134-L137 WeakPolarHBondContact O-CG 3.14Å; F134-L137 PolarHBondContact O-N 2.98Å; F134-F158 AromaticContact CD1-CD2 3.8Å; F134-F158 HydrophobicContact CD1-CD2 3.8Å; F134-F158 AromaticContact CD1-CE2 3.61Å; F134-F158 HydrophobicContact CD1-CE2 3.61Å; F134-F158 AromaticContact CE1-CD2 3.47Å; F134-F158 HydrophobicContact CE1-CD2 3.47Å; F134-F158 VanDerWaalsContact CE1-CD2 3.47Å; F134-F158 AromaticContact CE1-CE2 3.38Å; F134-F158 HydrophobicContact CE1-CE2 3.38Å; F134-F158 HydrophobicContact CE1-CG 4.41Å; F134-F158 HydrophobicContact CE1-CZ 4.23Å; F134-I162 HydrophobicContact CE1-CG1 4.46Å; F134-I162 HydrophobicContact CZ-CG1 4.4Å; F134-L197 HydrophobicContact CD2-CG 4.32Å; F134-L197 HydrophobicContact CE1-CD1 4.36Å; F134-L197 HydrophobicContact CE2-CD1 3.57Å; F134-L197 HydrophobicContact CE2-CD2 4.33Å; F134-L197 HydrophobicContact CE2-CG 3.53Å; F134-L197 WeakPolarHBondContact CE2-O 3.39Å; F134-L197 HydrophobicContact CZ-CD1 3.38Å; F134-L197 HydrophobicContact CZ-CG 3.91Å; F134-L201 HydrophobicContact CB-CD2 4.3Å; F134-L201 HydrophobicContact CD2-CD2 3.82Å; F134-L201 HydrophobicContact CG-CD2 4.47Å; F134-L237 HydrophobicContact CB-CD1 4.24Å
135	Q	98.8	Very high	98.1	Very high	51 Å²	51	28 Å²	28	24%	0.238	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-25.9	-177.8	-68.2	-69.3	-44.2	0	0	112.9	I129 T131 P132 L137 R138	I129-Q135 WeakPolarHBondContact O-CG 3.15Å; I129-Q135 PolarHBondContact O-NE2 2.91Å; T131-Q135 WeakPolarHBondContact O-CB 3.27Å; T131-Q135 WeakPolarHBondContact O-CG 3.39Å; T131-Q135 PolarHBondContact O-N 3.29Å; P132-Q135 PolarHBondContact O-N 3.4Å; Q135-L137 PolarHBondContact O-N 3.42Å; Q135-L137 VanDerWaalsContact O-N 3.13Å; Q135-R138 WeakPolarHBondContact O-CB 3.47Å; Q135-R138 WeakPolarHBondContact O-CG 3.27Å; Q135-R138 PolarHBondContact O-N 2.86Å; Q135-R138 VanDerWaalsContact O-N 3.08Å
136	R	98.7	Very high	98.1	Very high	10 Å²	10	28 Å²	28	4%	0.038	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.2	-30.1	174.3	80	-173.4	-108.5	-73.6	5.6	113.1	P132 Q133 F134 R138 N139 L201 H203 T417	P132-R136 PolarHBondContact O-N 2.84Å; Q133-R136 WeakPolarHBondContact O-CD 3.43Å; Q133-R136 VanDerWaalsContact O-CG 3.29Å; Q133-R136 WeakPolarHBondContact O-CG 3.48Å; F134-R136 PolarHBondContact O-N 2.93Å; F134-R136 VanDerWaalsContact O-N 3.16Å; R136-R138 PolarHBondContact O-N 3.4Å; R136-N139 PolarHBondContact O-N 2.9Å; R136-L201 PolarHBondContact NH1-O 3.29Å; R136-H203 PolarHBondContact NH2-O 3.13Å; R136-T417 HydrophobicContact CB-CG2 4.1Å
137	L	98.8	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15.7	-179.5	-63.2	-179.1	0	0	0	112.8	F134 Q135 N139 I140 N156 R157 F158 L201	F134-L137 HydrophobicContact CD2-CD1 4.31Å; F134-L137 HydrophobicContact CE2-CD1 4.12Å; F134-L137 HydrophobicContact CZ-CD1 4.41Å; F134-L137 WeakPolarHBondContact O-CB 3.32Å; F134-L137 WeakPolarHBondContact O-CG 3.14Å; F134-L137 PolarHBondContact O-N 2.98Å; Q135-L137 PolarHBondContact O-N 3.42Å; Q135-L137 VanDerWaalsContact O-N 3.13Å; L137-N139 PolarHBondContact O-N 3.13Å; L137-I140 HydrophobicContact CD2-CD1 4.28Å; L137-I140 PolarHBondContact O-N 3.4Å; L137-N156 WeakPolarHBondContact O-CB 3.36Å; L137-R157 HydrophobicContact CB-CB 4.11Å; L137-R157 HydrophobicContact CD2-CB 4.02Å; L137-R157 HydrophobicContact CG-CB 4.48Å; L137-R157 PolarHBondContact O-N 3.46Å; L137-F158 HydrophobicContact CB-CB 3.94Å; L137-F158 PolarHBondContact O-N 3.3Å; L137-L201 HydrophobicContact CD1-CD2 4.18Å
138	R	98.8	Very high	98.2	Very high	108 Å²	108	31.2 Å²	31.2	41%	0.408	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-65.2	-21.7	172.3	-67.7	-177.6	178	-79.6	4.3	112.9	Q135 R136 N156 F158	Q135-R138 WeakPolarHBondContact O-CB 3.47Å; Q135-R138 WeakPolarHBondContact O-CG 3.27Å; Q135-R138 PolarHBondContact O-N 2.86Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; R136-R138 PolarHBondContact O-N 3.4Å; R138-N156 PolarHBondContact O-ND2 3.25Å; R138-N156 PolarHBondContact O-OD1 2.99Å; R138-F158 HydrophobicContact CB-CB 4.45Å; R138-F158 HydrophobicContact CG-CB 3.82Å; R138-F158 HydrophobicContact CG-CD1 4.07Å; R138-F158 HydrophobicContact CG-CD2 3.61Å; R138-F158 HydrophobicContact CG-CE2 4.17Å; R138-F158 HydrophobicContact CG-CG 3.55Å; R138-F158 VanDerWaalsContact CZ-CE1 3.41Å
139	N	98.6	Very high	98.1	Very high	94 Å²	94	32.8 Å²	32.8	50%	0.503	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-111.6	25.7	-174.8	-56.8	-53.3	0	0	0	111.5	R136 L137 T417 D418	R136-N139 PolarHBondContact O-N 2.9Å; L137-N139 PolarHBondContact O-N 3.13Å; N139-T417 HydrophobicContact CB-CG2 4.08Å; N139-T417 WeakPolarHBondContact O-CB 3.42Å; N139-D418 VanDerWaalsContact O-CB 3.27Å; N139-D418 WeakPolarHBondContact O-CB 3.14Å; N139-D418 VanDerWaalsContact O-CG 3.26Å; N139-D418 PolarHBondContact O-N 3.47Å
140	I	98.8	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-131.3	106.1	177.9	-55	-176.9	0	0	0	108.5	L137 Q142 N156 R157 H203 G204 T417	L137-I140 HydrophobicContact CD2-CD1 4.28Å; L137-I140 PolarHBondContact O-N 3.4Å; I140-Q142 PolarHBondContact O-N 2.99Å; I140-N156 CarbonylContact O-C 3.59Å; I140-N156 WeakPolarHBondContact O-CA 3.27Å; I140-N156 VanDerWaalsContact O-CB 3.27Å; I140-N156 WeakPolarHBondContact O-CB 3.46Å; I140-R157 HydrophobicContact CB-CG 4.43Å; I140-R157 HydrophobicContact CG2-CG 4.11Å; I140-R157 PolarHBondContact O-N 2.9Å; I140-H203 VanDerWaalsContact CD1-O 3.25Å; I140-H203 WeakPolarHBondContact CD1-O 3.46Å; I140-G204 WeakPolarHBondContact CG2-O 3.27Å; I140-T417 HydrophobicContact CG1-CG2 4.38Å
141	K	98.6	Very high	98	Very high	47 Å²	47	35.9 Å²	35.9	20%	0.204	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-61.8	130.8	-178.2	-68.3	-70.6	168.6	-136.5	0	110.8	L143 G144 S154 N156 S207 D418	K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.18Å; K141-G144 PolarHBondContact O-N 2.89Å; K141-S154 PolarHBondContact NZ-O 3.29Å; K141-N156 PolarHBondContact NZ-OD1 3.22Å; K141-S207 WeakPolarHBondContact O-CB 3.36Å; K141-S207 PolarHBondContact O-OG 3.29Å; K141-D418 WeakPolarHBondContact CB-OD2 3.42Å; K141-D418 WeakPolarHBondContact CG-OD2 3.35Å; K141-D418 PolarHBondContact N-OD2 3.21Å
142	Q	98.2	Very high	97.9	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.028	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-47.5	-179.6	-177.2	72.2	7.4	0	0	110.9	I140 H155 R157 H160 S207	I140-Q142 PolarHBondContact O-N 2.99Å; Q142-H155 WeakPolarHBondContact CB-CD2 3.5Å; Q142-H155 WeakPolarHBondContact CB-NE2 3.16Å; Q142-H155 WeakPolarHBondContact CG-NE2 3.41Å; Q142-H155 PolarHBondContact N-O 3.25Å; Q142-R157 PolarHBondContact O-NH2 3.47Å; Q142-H160 PolarHBondContact NE2-CD2 3Å; Q142-S207 PolarHBondContact O-OG 3.22Å
143	L	97.9	Very high	97.9	Very high	17 Å²	17	34 Å²	34	9%	0.089	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	17.9	-174.9	-55.3	-173	0	0	0	113.8	K141 G145 T146 A153 D313 L317 Y368	K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.18Å; L143-G145 PolarHBondContact O-N 3.12Å; L143-T146 HydrophobicContact CB-CG2 4.22Å; L143-T146 HydrophobicContact CD1-CG2 4.34Å; L143-T146 WeakPolarHBondContact O-CB 3.39Å; L143-T146 PolarHBondContact O-N 3Å; L143-T146 PolarHBondContact O-OG1 3.11Å; L143-A153 HydrophobicContact CD1-CB 4.04Å; L143-D313 HydrophobicContact CD1-CB 4.45Å; L143-L317 HydrophobicContact CD1-CD1 3.96Å; L143-L317 HydrophobicContact CD1-CD2 3.91Å; L143-L317 HydrophobicContact CD1-CG 4.07Å; L143-Y368 HydrophobicContact CD1-CE1 4.22Å; L143-Y368 HydrophobicContact CD2-CD1 3.82Å; L143-Y368 HydrophobicContact CD2-CE1 3.39Å; L143-Y368 HydrophobicContact CG-CE1 4.46Å
144	G	96.9	Very high	97.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	50.7	-123.4	173.2	0	0	0	0	0	113.6	K141 T146 Y147	K141-G144 PolarHBondContact O-N 2.89Å; G144-T146 PolarHBondContact O-N 3.43Å; G144-Y147 PolarHBondContact O-N 3.13Å
145	G	95.1	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-69.5	-13.2	-177.6	0	0	0	0	0	114.2	L143 Y147 Y148 E377	L143-G145 PolarHBondContact O-N 3.12Å; G145-Y147 PolarHBondContact O-N 3.05Å; G145-Y148 WeakPolarHBondContact O-CB 3.33Å; G145-Y148 PolarHBondContact O-N 3.38Å; G145-E377 PolarHBondContact N-OE1 3.39Å
146	T	96.1	Very high	97.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27	177.4	-54.5	0	0	0	0	112.2	L143 G144 Y148 V149 F150 L317 A367	L143-T146 HydrophobicContact CB-CG2 4.22Å; L143-T146 HydrophobicContact CD1-CG2 4.34Å; L143-T146 WeakPolarHBondContact O-CB 3.39Å; L143-T146 PolarHBondContact O-N 3Å; L143-T146 PolarHBondContact O-OG1 3.11Å; G144-T146 PolarHBondContact O-N 3.43Å; T146-Y148 PolarHBondContact O-N 2.94Å; T146-V149 WeakPolarHBondContact O-CA 3.34Å; T146-V149 WeakPolarHBondContact O-CB 3.46Å; T146-V149 PolarHBondContact O-N 3.33Å; T146-F150 HydrophobicContact CG2-CD2 3.4Å; T146-F150 VanDerWaalsContact CG2-CD2 3.4Å; T146-F150 HydrophobicContact CG2-CE2 3.97Å; T146-F150 HydrophobicContact CG2-CG 4.32Å; T146-F150 PolarHBondContact O-N 2.95Å; T146-L317 HydrophobicContact CG2-CD2 4.4Å; T146-A367 HydrophobicContact CG2-CB 4.49Å
147	Y	97.9	Very high	97.8	Very high	93 Å²	93	35.3 Å²	35.3	37%	0.365	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-56.4	-31.9	174.3	176.8	-121.6	0	0	0	113.1	G144 G145 V149 F150 P151 A153	G144-Y147 PolarHBondContact O-N 3.13Å; G145-Y147 PolarHBondContact O-N 3.05Å; Y147-V149 PolarHBondContact O-N 3.01Å; Y147-F150 CarbonylContact O-C 3.59Å; Y147-P151 WeakPolarHBondContact CE2-O 3.42Å; Y147-A153 VanDerWaalsContact CD2-O 3.29Å; Y147-A153 WeakPolarHBondContact CD2-O 3.28Å
148	Y	97.3	Very high	97.8	Very high	60 Å²	60	35.8 Å²	35.8	24%	0.235	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-76.8	0.7	175.8	-64.4	-83	0	0	0	114	G145 T146 F206 I376 I380 F421 I442 I443 R445	G145-Y148 WeakPolarHBondContact O-CB 3.33Å; G145-Y148 PolarHBondContact O-N 3.38Å; T146-Y148 PolarHBondContact O-N 2.94Å; Y148-F206 HydrophobicContact CE2-CE1 4.19Å; Y148-I376 HydrophobicContact CD2-CG2 3.85Å; Y148-I376 HydrophobicContact CE2-CG2 4.46Å; Y148-I376 HydrophobicContact CG-CD1 4.39Å; Y148-I376 HydrophobicContact CG-CG2 4.3Å; Y148-I380 HydrophobicContact CE2-CD1 4.36Å; Y148-F421 WeakPolarHBondContact OH-CZ 3.2Å; Y148-I442 HydrophobicContact CD1-CG2 4.38Å; Y148-I442 HydrophobicContact CE1-CG2 4.45Å; Y148-I443 HydrophobicContact CE1-CD1 4.29Å; Y148-R445 PolarHBondContact O-NH1 3.25Å; Y148-R445 PolarHBondContact O-NH2 3.34Å
149	V	96.8	Very high	97.8	Very high	33 Å²	33	32.7 Å²	32.7	20%	0.2	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-45.1	174	-179.1	0	0	0	0	110	T146 Y147 P151 H370 V372 I376	T146-V149 WeakPolarHBondContact O-CA 3.34Å; T146-V149 WeakPolarHBondContact O-CB 3.46Å; T146-V149 PolarHBondContact O-N 3.33Å; Y147-V149 PolarHBondContact O-N 3.01Å; V149-P151 WeakPolarHBondContact O-CD 3.49Å; V149-H370 VanDerWaalsContact CG1-CE1 3.47Å; V149-H370 WeakPolarHBondContact CG1-CE1 3.23Å; V149-V372 HydrophobicContact CG2-CB 3.84Å; V149-V372 HydrophobicContact CG2-CG1 3.85Å; V149-I376 HydrophobicContact CG2-CD1 4.35Å
150	F	97.8	Very high	97.8	Very high	45 Å²	45	28.2 Å²	28.2	20%	0.197	15%	0.153	C	C	.	.			trans	-110.7	96.8	180	-61.8	-92.8	0	0	0	108.7	T146 Y147 G152 A153 L317 R366 A367 H370	T146-F150 HydrophobicContact CG2-CD2 3.4Å; T146-F150 VanDerWaalsContact CG2-CD2 3.4Å; T146-F150 HydrophobicContact CG2-CE2 3.97Å; T146-F150 HydrophobicContact CG2-CG 4.32Å; T146-F150 PolarHBondContact O-N 2.95Å; Y147-F150 CarbonylContact O-C 3.59Å; F150-G152 PolarHBondContact O-N 3.46Å; F150-G152 VanDerWaalsContact O-N 3.1Å; F150-A153 HydrophobicContact CB-CB 4.04Å; F150-A153 VanDerWaalsContact O-CB 3.32Å; F150-A153 WeakPolarHBondContact O-CB 3.42Å; F150-A153 PolarHBondContact O-N 2.87Å; F150-L317 HydrophobicContact CB-CD2 3.65Å; F150-L317 HydrophobicContact CD1-CD2 3.82Å; F150-L317 HydrophobicContact CD2-CD2 4.01Å; F150-L317 HydrophobicContact CE1-CD2 4.48Å; F150-L317 HydrophobicContact CG-CD2 3.55Å; F150-R366 WeakPolarHBondContact CZ-O 3.46Å; F150-A367 HydrophobicContact CE2-CB 4.3Å; F150-A367 HydrophobicContact CZ-CB 4.46Å; F150-H370 HydrophobicContact CE2-CB 4.27Å
151	P	97.1	Very high	97.8	Very high	110 Å²	110	28.2 Å²	28.2	71%	0.714	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.2	-175.7	25.4	-34.6	0	0	0	113.4	Y147 V149 A153	Y147-P151 WeakPolarHBondContact CE2-O 3.42Å; V149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-A153 VanDerWaalsContact C-N 3.34Å
152	G	97.8	Very high	97.9	Very high	36 Å²	36	26.2 Å²	26.2	37%	0.371	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20	172.5	0	0	0	0	0	114.2	F150 S154 H316	F150-G152 PolarHBondContact O-N 3.46Å; F150-G152 VanDerWaalsContact O-N 3.1Å; G152-S154 PolarHBondContact O-N 3.36Å; G152-H316 CarbonylContact C-O 3.36Å; G152-H316 VanDerWaalsContact CA-O 3.29Å; G152-H316 WeakPolarHBondContact CA-O 3.27Å; G152-H316 WeakPolarHBondContact O-CB 3.19Å; G152-H316 PolarHBondContact O-CD2 3.11Å
153	A	97.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.			trans	-76.2	47.4	177.9	0	0	0	0	0	112.5	L143 Y147 F150 P151 H155 L317	L143-A153 HydrophobicContact CD1-CB 4.04Å; Y147-A153 VanDerWaalsContact CD2-O 3.29Å; Y147-A153 WeakPolarHBondContact CD2-O 3.28Å; F150-A153 HydrophobicContact CB-CB 4.04Å; F150-A153 VanDerWaalsContact O-CB 3.32Å; F150-A153 WeakPolarHBondContact O-CB 3.42Å; F150-A153 PolarHBondContact O-N 2.87Å; P151-A153 VanDerWaalsContact C-N 3.34Å; A153-H155 VanDerWaalsContact C-N 3.32Å; A153-L317 HydrophobicContact CB-CD2 4.01Å
154	S	98	Very high	97.9	Very high	53 Å²	53	25.1 Å²	25.1	37%	0.371	14%	0.139	S	C	.	.			trans	-85.1	-5.7	-177.4	59.8	0	0	0	0	113.6	K141 G152	K141-S154 PolarHBondContact NZ-O 3.29Å; G152-S154 PolarHBondContact O-N 3.36Å
155	H	98.6	Very high	98	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.14	C	C	.	.			trans	-71.5	156.1	-176.5	61.4	-66.1	0	0	0	112.8	Q142 A153 E159 D313 H316	Q142-H155 WeakPolarHBondContact CB-CD2 3.5Å; Q142-H155 WeakPolarHBondContact CB-NE2 3.16Å; Q142-H155 WeakPolarHBondContact CG-NE2 3.41Å; Q142-H155 PolarHBondContact N-O 3.25Å; A153-H155 VanDerWaalsContact C-N 3.32Å; H155-E159 WeakPolarHBondContact CA-OE1 3.47Å; H155-E159 HydrophobicContact CB-CG 4.44Å; H155-E159 VanDerWaalsContact CB-OE1 3.23Å; H155-E159 WeakPolarHBondContact CB-OE1 3.35Å; H155-D313 IonicContact CD2-OD1 3.64Å; H155-D313 IonicContact CE1-OD1 3.67Å; H155-D313 IonicContact NE2-OD1 2.91Å; H155-D313 PolarHBondContact NE2-OD1 2.86Å; H155-H316 AromaticContact CE1-CG 3.87Å; H155-H316 AromaticContact CG-CE1 3.94Å; H155-H316 AromaticContact CG-CG 3.79Å; H155-H316 AromaticContact CG-ND1 3.69Å; H155-H316 WeakPolarHBondContact ND1-CB 3.16Å; H155-H316 AromaticContact ND1-CD2 3.83Å; H155-H316 AromaticContact ND1-CG 3.35Å; H155-H316 AromaticContact ND1-ND1 3.68Å
156	N	98.8	Very high	98.2	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-119.9	168.5	-174.5	-46.1	-76.3	0	0	0	110.9	L137 R138 I140 K141 F158 E159	L137-N156 WeakPolarHBondContact O-CB 3.36Å; R138-N156 PolarHBondContact O-ND2 3.25Å; R138-N156 PolarHBondContact O-OD1 2.99Å; I140-N156 CarbonylContact O-C 3.59Å; I140-N156 WeakPolarHBondContact O-CA 3.27Å; I140-N156 VanDerWaalsContact O-CB 3.27Å; I140-N156 WeakPolarHBondContact O-CB 3.46Å; K141-N156 PolarHBondContact NZ-OD1 3.22Å; N156-F158 PolarHBondContact O-N 2.67Å; N156-E159 VanDerWaalsContact N-CD 3.34Å; N156-E159 PolarHBondContact N-OE1 3.11Å; N156-E159 VanDerWaalsContact O-CD 3.24Å
157	R	98.8	Very high	98.3	Very high	11 Å²	11	26.7 Å²	26.7	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-27.4	177.5	-69.8	-80.8	166.9	-177.9	0.3	112.5	L137 I140 Q142 H160 S161 D200 H203 S207	L137-R157 HydrophobicContact CB-CB 4.11Å; L137-R157 HydrophobicContact CD2-CB 4.02Å; L137-R157 HydrophobicContact CG-CB 4.48Å; L137-R157 PolarHBondContact O-N 3.46Å; I140-R157 HydrophobicContact CB-CG 4.43Å; I140-R157 HydrophobicContact CG2-CG 4.11Å; I140-R157 PolarHBondContact O-N 2.9Å; Q142-R157 PolarHBondContact O-NH2 3.47Å; R157-H160 PolarHBondContact O-N 3.29Å; R157-S161 WeakPolarHBondContact O-CB 3.49Å; R157-S161 PolarHBondContact O-N 3.34Å; R157-S161 PolarHBondContact O-OG 3.08Å; R157-D200 WeakPolarHBondContact CD-OD2 3.17Å; R157-D200 IonicContact CZ-OD2 2.8Å; R157-D200 IonicContact NE-OD2 3.3Å; R157-D200 IonicContact NH1-OD1 3.46Å; R157-D200 IonicContact NH1-OD2 3.24Å; R157-D200 PolarHBondContact NH1-OD2 3.1Å; R157-H203 HydrophobicContact CG-CB 4.42Å; R157-H203 PolarHBondContact NH1-NE2 3.49Å; R157-S207 PolarHBondContact NE-OG 3.31Å
158	F	98.9	Very high	98.3	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-57	-177.6	177.8	-91.6	0	0	0	113.9	I129 F134 L137 R138 N156 H160 S161 I162	I129-F158 HydrophobicContact CG2-CE2 4.04Å; I129-F158 HydrophobicContact CG2-CZ 4.04Å; F134-F158 AromaticContact CD1-CD2 3.8Å; F134-F158 HydrophobicContact CD1-CD2 3.8Å; F134-F158 AromaticContact CD1-CE2 3.61Å; F134-F158 HydrophobicContact CD1-CE2 3.61Å; F134-F158 AromaticContact CE1-CD2 3.47Å; F134-F158 HydrophobicContact CE1-CD2 3.47Å; F134-F158 VanDerWaalsContact CE1-CD2 3.47Å; F134-F158 AromaticContact CE1-CE2 3.38Å; F134-F158 HydrophobicContact CE1-CE2 3.38Å; F134-F158 HydrophobicContact CE1-CG 4.41Å; F134-F158 HydrophobicContact CE1-CZ 4.23Å; L137-F158 HydrophobicContact CB-CB 3.94Å; L137-F158 PolarHBondContact O-N 3.3Å; R138-F158 HydrophobicContact CB-CB 4.45Å; R138-F158 HydrophobicContact CG-CB 3.82Å; R138-F158 HydrophobicContact CG-CD1 4.07Å; R138-F158 HydrophobicContact CG-CD2 3.61Å; R138-F158 HydrophobicContact CG-CE2 4.17Å; R138-F158 HydrophobicContact CG-CG 3.55Å; R138-F158 VanDerWaalsContact CZ-CE1 3.41Å; N156-F158 PolarHBondContact O-N 2.67Å; F158-H160 VanDerWaalsContact C-N 3.3Å; F158-H160 PolarHBondContact O-N 3.17Å; F158-S161 PolarHBondContact O-N 2.77Å; F158-I162 HydrophobicContact CD1-CD1 3.9Å; F158-I162 HydrophobicContact CE1-CD1 3.28Å; F158-I162 HydrophobicContact CE2-CD1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 3.51Å; F158-I162 PolarHBondContact O-N 2.98Å; F158-I162 VanDerWaalsContact O-N 3.13Å
159	E	98.7	Very high	98.2	Very high	43 Å²	43	19.5 Å²	19.5	20%	0.201	12%	0.118	C	C	.	.	H	α-helix	trans	-68.3	-31.7	-179.3	55.4	-91.8	-146.3	0	0	112.2	H155 N156 G163 R312	H155-E159 WeakPolarHBondContact CA-OE1 3.47Å; H155-E159 HydrophobicContact CB-CG 4.44Å; H155-E159 VanDerWaalsContact CB-OE1 3.23Å; H155-E159 WeakPolarHBondContact CB-OE1 3.35Å; N156-E159 VanDerWaalsContact N-CD 3.34Å; N156-E159 PolarHBondContact N-OE1 3.11Å; N156-E159 VanDerWaalsContact O-CD 3.24Å; E159-G163 PolarHBondContact O-N 2.83Å; E159-R312 PolarHBondContact O-NH2 3.46Å
160	H	98.8	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-51.1	171.1	168	62	0	0	0	111.4	Q142 R157 F158 I162 G163 V164 H199 D200 D305 D308	Q142-H160 PolarHBondContact NE2-CD2 3Å; R157-H160 PolarHBondContact O-N 3.29Å; F158-H160 VanDerWaalsContact C-N 3.3Å; F158-H160 PolarHBondContact O-N 3.17Å; H160-I162 VanDerWaalsContact C-N 3.3Å; H160-I162 PolarHBondContact O-N 3.35Å; H160-G163 CarbonylContact O-C 3.59Å; H160-G163 WeakPolarHBondContact O-CA 3.29Å; H160-G163 PolarHBondContact O-N 3.23Å; H160-V164 WeakPolarHBondContact CE1-CG2 3.5Å; H160-V164 WeakPolarHBondContact O-CG2 3.35Å; H160-V164 PolarHBondContact O-N 3.44Å; H160-H199 AromaticContact NE2-CE1 3.49Å; H160-H199 PolarHBondContact NE2-CE1 3.03Å; H160-H199 AromaticContact NE2-NE2 3.36Å; H160-H199 PolarHBondContact NE2-NE2 2.82Å; H160-D200 IonicContact CD2-OD2 2.85Å; H160-D200 PolarHBondContact CD2-OD2 3.46Å; H160-D200 IonicContact NE2-OD2 3.51Å; H160-D200 PolarHBondContact NE2-OD2 3.21Å; H160-D305 IonicContact CE1-OD1 3.22Å; H160-D305 PolarHBondContact CE1-OD1 3.22Å; H160-D305 IonicContact NE2-OD1 3.38Å; H160-D305 PolarHBondContact NE2-OD1 2.85Å; H160-D308 IonicContact CE1-OD2 2.79Å; H160-D308 IonicContact CG-OD2 2.97Å; H160-D308 IonicContact ND1-OD2 2.8Å; H160-D308 PolarHBondContact ND1-OD2 3.25Å
161	S	98.8	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-39.2	177.7	-64.7	0	0	0	0	112.9	R157 F158 V164 G165 L197	R157-S161 WeakPolarHBondContact O-CB 3.49Å; R157-S161 PolarHBondContact O-N 3.34Å; R157-S161 PolarHBondContact O-OG 3.08Å; F158-S161 PolarHBondContact O-N 2.77Å; S161-V164 PolarHBondContact O-N 3.07Å; S161-G165 PolarHBondContact O-N 3.42Å; S161-L197 WeakPolarHBondContact CB-O 3.3Å
162	I	98.8	Very high	98	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-45.5	172.3	-75.9	161.9	0	0	0	111.2	F111 V119 L121 I129 F134 F158 H160 G165 Y166 L197	F111-I162 HydrophobicContact CD1-CD1 4.34Å; F111-I162 HydrophobicContact CE1-CD1 4.15Å; V119-I162 HydrophobicContact CG1-CG2 4.31Å; L121-I162 HydrophobicContact CD1-CG2 4.23Å; I129-I162 HydrophobicContact CD1-CG1 4.14Å; F134-I162 HydrophobicContact CE1-CG1 4.46Å; F134-I162 HydrophobicContact CZ-CG1 4.4Å; F158-I162 HydrophobicContact CD1-CD1 3.9Å; F158-I162 HydrophobicContact CE1-CD1 3.28Å; F158-I162 HydrophobicContact CE2-CD1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 3.51Å; F158-I162 PolarHBondContact O-N 2.98Å; F158-I162 VanDerWaalsContact O-N 3.13Å; H160-I162 VanDerWaalsContact C-N 3.3Å; H160-I162 PolarHBondContact O-N 3.35Å; I162-G165 PolarHBondContact O-N 3.11Å; I162-Y166 WeakPolarHBondContact O-CB 3.44Å; I162-Y166 PolarHBondContact O-N 2.92Å; I162-L197 HydrophobicContact CG1-CD1 4.23Å
163	G	98.8	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-42.1	178.2	0	0	0	0	0	113	E159 H160 Y166 L167 D308	E159-G163 PolarHBondContact O-N 2.83Å; H160-G163 CarbonylContact O-C 3.59Å; H160-G163 WeakPolarHBondContact O-CA 3.29Å; H160-G163 PolarHBondContact O-N 3.23Å; G163-Y166 WeakPolarHBondContact O-CB 3.33Å; G163-Y166 PolarHBondContact O-N 2.86Å; G163-L167 WeakPolarHBondContact O-CG 3.49Å; G163-L167 PolarHBondContact O-N 3.3Å; G163-D308 VanDerWaalsContact CA-OD1 3.31Å; G163-D308 WeakPolarHBondContact CA-OD1 3.5Å
164	V	98.9	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-45.9	175.1	-179.6	0	0	0	0	111.3	H160 S161 Y166 L167 A168 G196 V304 D305 D308	H160-V164 WeakPolarHBondContact CE1-CG2 3.5Å; H160-V164 WeakPolarHBondContact O-CG2 3.35Å; H160-V164 PolarHBondContact O-N 3.44Å; S161-V164 PolarHBondContact O-N 3.07Å; V164-Y166 VanDerWaalsContact C-N 3.27Å; V164-Y166 PolarHBondContact O-N 3.22Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-A168 VanDerWaalsContact O-CB 3.23Å; V164-A168 WeakPolarHBondContact O-CB 3.4Å; V164-A168 PolarHBondContact O-N 3.5Å; V164-G196 WeakPolarHBondContact CG1-O 3.5Å; V164-V304 HydrophobicContact CG1-CG2 3.86Å; V164-D305 HydrophobicContact CG1-CB 4.44Å; V164-D308 HydrophobicContact CG2-CB 3.72Å
165	G	98.5	Very high	96.8	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-57.9	-39	174.1	0	0	0	0	0	112.8	S161 I162 G169	S161-G165 PolarHBondContact O-N 3.42Å; I162-G165 PolarHBondContact O-N 3.11Å; G165-G169 PolarHBondContact O-N 3.14Å
166	Y	98.4	Very high	96.1	Very high	34 Å²	34	18.1 Å²	18.1	13%	0.133	8%	0.083	C	C	.	.	H	α-helix	trans	-65	-52.8	173.8	169.7	-108.9	0	0	0	112.3	H116 V119 I162 G163 V164 A168 G169 R170	H116-Y166 HydrophobicContact CB-CD1 4.05Å; H116-Y166 HydrophobicContact CB-CE1 3.87Å; H116-Y166 AromaticContact CD2-CD1 3.76Å; H116-Y166 AromaticContact CG-CD1 3.95Å; V119-Y166 HydrophobicContact CB-CD2 4.34Å; V119-Y166 HydrophobicContact CB-CG 4.47Å; V119-Y166 HydrophobicContact CG1-CD2 3.73Å; V119-Y166 HydrophobicContact CG1-CG 3.81Å; V119-Y166 HydrophobicContact CG2-CD1 4.13Å; V119-Y166 HydrophobicContact CG2-CD2 4.19Å; V119-Y166 HydrophobicContact CG2-CE1 4.42Å; V119-Y166 HydrophobicContact CG2-CE2 4.48Å; V119-Y166 HydrophobicContact CG2-CG 3.99Å; I162-Y166 WeakPolarHBondContact O-CB 3.44Å; I162-Y166 PolarHBondContact O-N 2.92Å; G163-Y166 WeakPolarHBondContact O-CB 3.33Å; G163-Y166 PolarHBondContact O-N 2.86Å; V164-Y166 VanDerWaalsContact C-N 3.27Å; V164-Y166 PolarHBondContact O-N 3.22Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.3Å; Y166-G169 WeakPolarHBondContact O-CA 3.5Å; Y166-G169 PolarHBondContact O-N 2.76Å; Y166-G169 VanDerWaalsContact O-N 3.13Å; Y166-R170 HydrophobicContact CD1-CG 4.27Å; Y166-R170 HydrophobicContact CD2-CG 4.11Å; Y166-R170 HydrophobicContact CE1-CG 3.87Å; Y166-R170 HydrophobicContact CE2-CG 3.67Å; Y166-R170 HydrophobicContact CG-CG 4.4Å; Y166-R170 WeakPolarHBondContact O-CG 3.2Å; Y166-R170 PolarHBondContact O-N 2.84Å; Y166-R170 PolarHBondContact OH-NH1 2.91Å
167	L	98.8	Very high	95.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-36.6	-179	-69.7	-176.7	0	0	0	112.3	G163 V164 G169 R170 L171 V304 W307 D308 Y325	G163-L167 WeakPolarHBondContact O-CG 3.49Å; G163-L167 PolarHBondContact O-N 3.3Å; V164-L167 PolarHBondContact O-N 3.18Å; L167-G169 VanDerWaalsContact C-N 3.32Å; L167-G169 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.2Å; L167-L171 PolarHBondContact O-N 3.2Å; L167-V304 HydrophobicContact CB-CB 3.8Å; L167-V304 HydrophobicContact CB-CG1 4.05Å; L167-W307 HydrophobicContact CD1-CB 3.82Å; L167-D308 HydrophobicContact CD1-CB 3.97Å; L167-Y325 HydrophobicContact CD2-CD2 3.88Å; L167-Y325 HydrophobicContact CD2-CE2 3.49Å; L167-Y325 VanDerWaalsContact CD2-CE2 3.49Å
168	A	98.7	Very high	94.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56	-49	172.5	0	0	0	0	0	110.4	V164 Y166 L171 V172 V192 I294 V295 V304	V164-A168 VanDerWaalsContact O-CB 3.23Å; V164-A168 WeakPolarHBondContact O-CB 3.4Å; V164-A168 PolarHBondContact O-N 3.5Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.3Å; A168-L171 PolarHBondContact O-N 3.42Å; A168-V172 WeakPolarHBondContact O-CG1 3.39Å; A168-V172 PolarHBondContact O-N 3.11Å; A168-V172 VanDerWaalsContact O-N 3.1Å; A168-V192 HydrophobicContact CB-CG1 3.88Å; A168-I294 HydrophobicContact CB-CG2 4.09Å; A168-V295 HydrophobicContact CB-CG2 4.27Å; A168-V304 HydrophobicContact CB-CG2 3.88Å
169	G	94	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174	0	0	0	0	0	113.3	G165 Y166 L167 L171 V172 Q173	G165-G169 PolarHBondContact O-N 3.14Å; Y166-G169 WeakPolarHBondContact O-CA 3.5Å; Y166-G169 PolarHBondContact O-N 2.76Å; Y166-G169 VanDerWaalsContact O-N 3.13Å; L167-G169 VanDerWaalsContact C-N 3.32Å; L167-G169 PolarHBondContact O-N 3.47Å; G169-L171 PolarHBondContact O-N 3.46Å; G169-V172 VanDerWaalsContact O-CG1 3.27Å; G169-V172 WeakPolarHBondContact O-CG1 3.36Å; G169-Q173 VanDerWaalsContact O-CB 3.27Å; G169-Q173 WeakPolarHBondContact O-CB 3.43Å; G169-Q173 WeakPolarHBondContact O-CG 3.28Å; G169-Q173 PolarHBondContact O-N 3.31Å
170	R	97.1	Very high	93.1	Very high	114 Å²	114	28.7 Å²	28.7	43%	0.43	14%	0.139	S	C	.	.	H	α-helix	trans	-62.6	-41.3	178.7	-67.6	-59.4	-58.8	-125.9	8.9	112.4	Y166 L167 A174 L329	Y166-R170 HydrophobicContact CD1-CG 4.27Å; Y166-R170 HydrophobicContact CD2-CG 4.11Å; Y166-R170 HydrophobicContact CE1-CG 3.87Å; Y166-R170 HydrophobicContact CE2-CG 3.67Å; Y166-R170 HydrophobicContact CG-CG 4.4Å; Y166-R170 WeakPolarHBondContact O-CG 3.2Å; Y166-R170 PolarHBondContact O-N 2.84Å; Y166-R170 PolarHBondContact OH-NH1 2.91Å; L167-R170 PolarHBondContact O-N 3.2Å; R170-A174 WeakPolarHBondContact O-CB 3.38Å; R170-A174 PolarHBondContact O-N 3.49Å; R170-L329 HydrophobicContact CB-CD1 4.17Å
171	L	98.3	Very high	92.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-50.7	179.3	178.7	56.1	0	0	0	111.2	L167 A168 G169 Q173 A174 L175 I294 V304 W307 L329 A332 I343	L167-L171 PolarHBondContact O-N 3.2Å; A168-L171 PolarHBondContact O-N 3.42Å; G169-L171 PolarHBondContact O-N 3.46Å; L171-Q173 VanDerWaalsContact C-N 3.32Å; L171-Q173 PolarHBondContact O-N 3.38Å; L171-A174 PolarHBondContact O-N 3.3Å; L171-L175 HydrophobicContact CD1-CD1 4.39Å; L171-L175 HydrophobicContact CD1-CG 4.26Å; L171-L175 HydrophobicContact CG-CD1 4.44Å; L171-L175 WeakPolarHBondContact O-CG 3.31Å; L171-L175 PolarHBondContact O-N 3.05Å; L171-I294 HydrophobicContact CD2-CB 4.33Å; L171-I294 HydrophobicContact CD2-CG1 3.96Å; L171-I294 HydrophobicContact CD2-CG2 4.06Å; L171-I294 HydrophobicContact CG-CG1 4.38Å; L171-V304 HydrophobicContact CB-CG1 4.23Å; L171-V304 HydrophobicContact CD2-CG1 3.97Å; L171-W307 HydrophobicContact CB-CZ3 4.47Å; L171-W307 HydrophobicContact CD1-CH2 4.25Å; L171-W307 HydrophobicContact CD2-CH2 3.77Å; L171-W307 HydrophobicContact CD2-CZ3 4.09Å; L171-L329 VanDerWaalsContact CA-CD2 3.47Å; L171-L329 HydrophobicContact CB-CD2 3.69Å; L171-L329 HydrophobicContact CD1-CD2 3.78Å; L171-L329 HydrophobicContact CG-CD2 4.31Å; L171-A332 HydrophobicContact CD1-CB 3.97Å; L171-I343 HydrophobicContact CD2-CD1 4.23Å
172	V	92.6	Very high	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-38.3	-178.9	68.9	0	0	0	0	112.1	A168 G169 L175 N176 I184 I189 V192 L291 I294	A168-V172 WeakPolarHBondContact O-CG1 3.39Å; A168-V172 PolarHBondContact O-N 3.11Å; A168-V172 VanDerWaalsContact O-N 3.1Å; G169-V172 VanDerWaalsContact O-CG1 3.27Å; G169-V172 WeakPolarHBondContact O-CG1 3.36Å; V172-L175 PolarHBondContact O-N 3.44Å; V172-N176 WeakPolarHBondContact O-CB 3.41Å; V172-N176 PolarHBondContact O-N 3.19Å; V172-I184 HydrophobicContact CG2-CD1 4.41Å; V172-I184 HydrophobicContact CG2-CG2 3.65Å; V172-I189 HydrophobicContact CG1-CB 4.1Å; V172-I189 HydrophobicContact CG1-CG1 3.89Å; V172-I189 HydrophobicContact CG1-CG2 3.82Å; V172-I189 HydrophobicContact CG2-CG1 4.09Å; V172-V192 HydrophobicContact CB-CG1 4.29Å; V172-V192 HydrophobicContact CG1-CG1 4.27Å; V172-L291 HydrophobicContact CG2-CD2 3.82Å; V172-I294 HydrophobicContact CB-CD1 3.9Å; V172-I294 HydrophobicContact CG2-CD1 4.24Å
173	Q	85.6	Confident	90.2	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-46	173.3	-74.1	169.5	-3.8	0	0	111.5	G169 L171 L175 N176 E177 I189	G169-Q173 VanDerWaalsContact O-CB 3.27Å; G169-Q173 WeakPolarHBondContact O-CB 3.43Å; G169-Q173 WeakPolarHBondContact O-CG 3.28Å; G169-Q173 PolarHBondContact O-N 3.31Å; L171-Q173 VanDerWaalsContact C-N 3.32Å; L171-Q173 PolarHBondContact O-N 3.38Å; Q173-L175 PolarHBondContact O-N 3.04Å; Q173-N176 PolarHBondContact O-N 3.44Å; Q173-N176 VanDerWaalsContact O-N 3.12Å; Q173-E177 WeakPolarHBondContact O-CG 3.23Å; Q173-E177 PolarHBondContact O-N 3.01Å; Q173-I189 HydrophobicContact CG-CD1 4.16Å; Q173-I189 HydrophobicContact CG-CG2 4.34Å
174	A	91.6	Very high	89.3	Confident	12 Å²	12	41.1 Å²	41.1	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-29.6	179.4	0	0	0	0	0	113	R170 L171 K178	R170-A174 WeakPolarHBondContact O-CB 3.38Å; R170-A174 PolarHBondContact O-N 3.49Å; L171-A174 PolarHBondContact O-N 3.3Å; A174-K178 VanDerWaalsContact O-CG 3.25Å; A174-K178 WeakPolarHBondContact O-CG 3.14Å; A174-K178 PolarHBondContact O-NZ 2.88Å
175	L	90.9	Very high	88.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-73.1	-46.3	171.5	-66.4	176.6	0	0	0	110.9	L171 V172 Q173 E177 K178 Q179 I184 F290 A332 V334 I343	L171-L175 HydrophobicContact CD1-CD1 4.39Å; L171-L175 HydrophobicContact CD1-CG 4.26Å; L171-L175 HydrophobicContact CG-CD1 4.44Å; L171-L175 WeakPolarHBondContact O-CG 3.31Å; L171-L175 PolarHBondContact O-N 3.05Å; V172-L175 PolarHBondContact O-N 3.44Å; Q173-L175 PolarHBondContact O-N 3.04Å; L175-E177 PolarHBondContact O-N 3.33Å; L175-K178 PolarHBondContact O-N 3.39Å; L175-Q179 PolarHBondContact O-N 3.38Å; L175-I184 HydrophobicContact CB-CD1 4.11Å; L175-F290 HydrophobicContact CD1-CD2 4.18Å; L175-A332 HydrophobicContact CD2-CB 3.99Å; L175-V334 HydrophobicContact CD1-CG2 4.12Å; L175-V334 HydrophobicContact CD2-CG2 4.12Å; L175-I343 HydrophobicContact CD1-CD1 4.1Å; L175-I343 HydrophobicContact CD1-CG1 4.26Å
176	N	84.8	Confident	87.5	Confident	47 Å²	47	53.2 Å²	53.2	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-44.8	-180	-170.9	42.1	0	0	0	112.8	V172 Q173 K178 Q179 I184	V172-N176 WeakPolarHBondContact O-CB 3.41Å; V172-N176 PolarHBondContact O-N 3.19Å; Q173-N176 PolarHBondContact O-N 3.44Å; Q173-N176 VanDerWaalsContact O-N 3.12Å; N176-K178 VanDerWaalsContact C-N 3.3Å; N176-K178 PolarHBondContact O-N 3.47Å; N176-Q179 CarbonylContact O-C 3.58Å; N176-Q179 PolarHBondContact O-N 3.19Å; N176-I184 HydrophobicContact CB-CB 4.01Å; N176-I184 HydrophobicContact CB-CD1 3.96Å; N176-I184 HydrophobicContact CB-CG2 4.32Å; N176-I184 PolarHBondContact OD1-O 3.1Å
177	E	80.4	Confident	86.8	Confident	151 Å²	151	54.3 Å²	54.3	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-63.1	-35.7	178.4	-72.3	171.5	-177.1	0	0	112.6	Q173 L175	Q173-E177 WeakPolarHBondContact O-CG 3.23Å; Q173-E177 PolarHBondContact O-N 3.01Å; L175-E177 PolarHBondContact O-N 3.33Å
178	K	86.3	Confident	86.3	Confident	64 Å²	64	54.4 Å²	54.4	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-84.6	-24.4	-178.1	-71	-174.8	-162	85.2	0	113.5	A174 L175 N176 L329 K330 R333	A174-K178 VanDerWaalsContact O-CG 3.25Å; A174-K178 WeakPolarHBondContact O-CG 3.14Å; A174-K178 PolarHBondContact O-NZ 2.88Å; L175-K178 PolarHBondContact O-N 3.39Å; N176-K178 VanDerWaalsContact C-N 3.3Å; N176-K178 PolarHBondContact O-N 3.47Å; K178-L329 PolarHBondContact NZ-O 3.01Å; K178-K330 VanDerWaalsContact CE-O 3.24Å; K178-K330 WeakPolarHBondContact CE-O 3.19Å; K178-R333 PolarHBondContact O-NH2 3.09Å
179	Q	84.4	Confident	85.7	Confident	13 Å²	13	55.3 Å²	55.3	6%	0.061	26%	0.261	C	S	.	.			trans	-142.6	70.5	-174.5	-67.3	-177.2	-99.7	0	0	111.1	L175 N176 E181 L182 R333 V334	L175-Q179 PolarHBondContact O-N 3.38Å; N176-Q179 CarbonylContact O-C 3.58Å; N176-Q179 PolarHBondContact O-N 3.19Å; Q179-E181 WeakPolarHBondContact CA-OE2 3.31Å; Q179-E181 VanDerWaalsContact CB-OE1 3.27Å; Q179-E181 WeakPolarHBondContact CB-OE1 3.43Å; Q179-E181 VanDerWaalsContact CG-OE1 3.31Å; Q179-E181 WeakPolarHBondContact CG-OE1 3.33Å; Q179-E181 PolarHBondContact NE2-OE1 2.77Å; Q179-E181 PolarHBondContact O-N 3.41Å; Q179-E181 VanDerWaalsContact O-N 3.11Å; Q179-L182 HydrophobicContact CB-CD1 3.56Å; Q179-L182 HydrophobicContact CB-CG 3.74Å; Q179-L182 HydrophobicContact CG-CD1 4.49Å; Q179-L182 WeakPolarHBondContact O-CB 3.41Å; Q179-L182 WeakPolarHBondContact O-CG 3.23Å; Q179-L182 PolarHBondContact O-N 2.89Å; Q179-R333 VanDerWaalsContact OE1-CA 3.28Å; Q179-V334 PolarHBondContact NE2-O 2.95Å
180	P	79.9	Confident	85.6	Confident	82 Å²	82	55.9 Å²	55.9	53%	0.532	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.5	177.7	-23.7	35	0	0	0	113.3	L182 L183	P180-L182 PolarHBondContact O-N 2.89Å; P180-L182 VanDerWaalsContact O-N 3.13Å; P180-L183 PolarHBondContact O-N 2.83Å
181	E	78.1	Confident	85.7	Confident	116 Å²	116	50.4 Å²	50.4	54%	0.542	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-63.1	-12.8	175	72.9	-80.5	-175.9	0	0	114.2	Q179 L183	Q179-E181 WeakPolarHBondContact CA-OE2 3.31Å; Q179-E181 VanDerWaalsContact CB-OE1 3.27Å; Q179-E181 WeakPolarHBondContact CB-OE1 3.43Å; Q179-E181 VanDerWaalsContact CG-OE1 3.31Å; Q179-E181 WeakPolarHBondContact CG-OE1 3.33Å; Q179-E181 PolarHBondContact NE2-OE1 2.77Å; Q179-E181 PolarHBondContact O-N 3.41Å; Q179-E181 VanDerWaalsContact O-N 3.11Å; E181-L183 PolarHBondContact O-N 3.1Å
182	L	77.9	Confident	85.7	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.042	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-74.3	-11.5	172.5	-63.5	174.1	0	0	0	113.2	Q179 P180 I184 F290 V334 K341	Q179-L182 HydrophobicContact CB-CD1 3.56Å; Q179-L182 HydrophobicContact CB-CG 3.74Å; Q179-L182 HydrophobicContact CG-CD1 4.49Å; Q179-L182 WeakPolarHBondContact O-CB 3.41Å; Q179-L182 WeakPolarHBondContact O-CG 3.23Å; Q179-L182 PolarHBondContact O-N 2.89Å; P180-L182 PolarHBondContact O-N 2.89Å; P180-L182 VanDerWaalsContact O-N 3.13Å; L182-I184 VanDerWaalsContact C-N 3.25Å; L182-I184 HydrophobicContact CB-CD1 4.09Å; L182-I184 HydrophobicContact CB-CG1 3.88Å; L182-I184 HydrophobicContact CD1-CD1 4.1Å; L182-I184 PolarHBondContact O-N 2.8Å; L182-F290 HydrophobicContact CB-CE1 4.49Å; L182-F290 HydrophobicContact CB-CZ 4.03Å; L182-F290 HydrophobicContact CD1-CE2 4.29Å; L182-F290 HydrophobicContact CD1-CZ 4.12Å; L182-F290 HydrophobicContact CD2-CE1 4.06Å; L182-F290 HydrophobicContact CD2-CZ 4.3Å; L182-F290 HydrophobicContact CG-CZ 4.38Å; L182-V334 HydrophobicContact CD1-CB 3.79Å; L182-V334 HydrophobicContact CD1-CG1 4.48Å; L182-V334 HydrophobicContact CD1-CG2 3.58Å; L182-V334 HydrophobicContact CD2-CB 3.96Å; L182-V334 HydrophobicContact CD2-CG1 3.86Å; L182-V334 HydrophobicContact CD2-CG2 4.46Å; L182-K341 HydrophobicContact CD2-CD 3.94Å
183	L	79.4	Confident	85.9	Confident	134 Å²	134	51 Å²	51	70%	0.702	25%	0.246	S	C	*	.			trans	52.1	43.8	177.8	-54.4	177.9	0	0	0	112.6	P180 E181 S185 K288	P180-L183 PolarHBondContact O-N 2.83Å; E181-L183 PolarHBondContact O-N 3.1Å; L183-S185 PolarHBondContact O-N 3.31Å; L183-K288 PolarHBondContact O-NZ 3.49Å
184	I	79.8	Confident	86.6	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	23%	0.23	C	C	.	.			trans	-74.9	112.7	175.8	-58.6	171.7	0	0	0	107.7	V172 L175 N176 L182 D188 I189 F290	V172-I184 HydrophobicContact CG2-CD1 4.41Å; V172-I184 HydrophobicContact CG2-CG2 3.65Å; L175-I184 HydrophobicContact CB-CD1 4.11Å; N176-I184 HydrophobicContact CB-CB 4.01Å; N176-I184 HydrophobicContact CB-CD1 3.96Å; N176-I184 HydrophobicContact CB-CG2 4.32Å; N176-I184 PolarHBondContact OD1-O 3.1Å; L182-I184 VanDerWaalsContact C-N 3.25Å; L182-I184 HydrophobicContact CB-CD1 4.09Å; L182-I184 HydrophobicContact CB-CG1 3.88Å; L182-I184 HydrophobicContact CD1-CD1 4.1Å; L182-I184 PolarHBondContact O-N 2.8Å; I184-D188 HydrophobicContact CG2-CB 4.11Å; I184-I189 HydrophobicContact CG2-CD1 4.49Å; I184-I189 HydrophobicContact CG2-CG1 3.94Å; I184-F290 HydrophobicContact CD1-CE2 3.65Å; I184-F290 HydrophobicContact CD1-CZ 3.92Å; I184-F290 HydrophobicContact CG1-CE2 4.04Å; I184-F290 HydrophobicContact CG1-CZ 3.85Å
185	S	79.5	Confident	86.9	Confident	45 Å²	45	47 Å²	47	32%	0.315	23%	0.226	S	C	.	.			trans	-83.5	163	-178.8	69.2	0	0	0	0	111.7	L183 R187 D188 I189	L183-S185 PolarHBondContact O-N 3.31Å; S185-R187 PolarHBondContact O-N 3.3Å; S185-R187 PolarHBondContact OG-N 2.94Å; S185-D188 WeakPolarHBondContact CB-OD2 3.27Å; S185-D188 PolarHBondContact N-OD2 3.21Å; S185-D188 WeakPolarHBondContact O-CB 3.34Å; S185-D188 PolarHBondContact O-N 2.85Å; S185-D188 VanDerWaalsContact O-N 3.1Å; S185-D188 PolarHBondContact OG-N 3.45Å; S185-D188 VanDerWaalsContact OG-N 3.08Å; S185-D188 PolarHBondContact OG-OD2 3.09Å; S185-I189 WeakPolarHBondContact O-CG1 3.42Å; S185-I189 PolarHBondContact O-N 3.23Å; S185-I189 VanDerWaalsContact O-N 3.11Å
186	R	80.8	Confident	87.3	Confident	211 Å²	211	47 Å²	47	80%	0.796	23%	0.226	S	C	*	.	H	α-helix	trans	-58.4	-34	170	-69.3	-176	177	-176.5	-1.8	112.3	I189 L190	R186-I189 PolarHBondContact O-N 3.03Å; R186-L190 PolarHBondContact O-N 3.49Å
187	R	84.4	Confident	87.9	Confident	57 Å²	57	44.9 Å²	44.9	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-47	173.4	175	-176.1	167.8	-156.6	-7.2	110.8	S185 I189 L190 C191 E256 D257	S185-R187 PolarHBondContact O-N 3.3Å; S185-R187 PolarHBondContact OG-N 2.94Å; R187-I189 PolarHBondContact O-N 2.75Å; R187-L190 PolarHBondContact O-N 2.98Å; R187-C191 PolarHBondContact O-N 2.84Å; R187-C191 PolarHBondContact O-SG 3.1Å; R187-E256 IonicContact CZ-OE2 3.27Å; R187-E256 IonicContact NH1-OE2 2.84Å; R187-E256 PolarHBondContact NH1-OE2 2.8Å; R187-E256 IonicContact NH2-OE1 2.76Å; R187-E256 IonicContact NH2-OE2 3.82Å; R187-E256 PolarHBondContact NH2-OE2 2.76Å; R187-D257 IonicContact CZ-OD1 2.7Å; R187-D257 IonicContact CZ-OD2 3.7Å; R187-D257 IonicContact NE-OD1 2.74Å; R187-D257 PolarHBondContact NE-OD1 3.49Å; R187-D257 IonicContact NE-OD2 3.09Å; R187-D257 PolarHBondContact NE-OD2 3.25Å; R187-D257 IonicContact NH2-OD1 2.91Å; R187-D257 PolarHBondContact NH2-OD1 3.13Å; R187-D257 IonicContact NH2-OD2 3.19Å; R187-D257 PolarHBondContact NH2-OD2 3.2Å
188	D	87.1	Confident	88.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-44.7	176.5	-59.6	-49.7	0	0	0	112	I184 S185 L190 C191 V192 R284 K288 L291	I184-D188 HydrophobicContact CG2-CB 4.11Å; S185-D188 WeakPolarHBondContact CB-OD2 3.27Å; S185-D188 PolarHBondContact N-OD2 3.21Å; S185-D188 WeakPolarHBondContact O-CB 3.34Å; S185-D188 PolarHBondContact O-N 2.85Å; S185-D188 VanDerWaalsContact O-N 3.1Å; S185-D188 PolarHBondContact OG-N 3.45Å; S185-D188 VanDerWaalsContact OG-N 3.08Å; S185-D188 PolarHBondContact OG-OD2 3.09Å; D188-L190 PolarHBondContact O-N 3.29Å; D188-C191 PolarHBondContact O-N 3.26Å; D188-V192 WeakPolarHBondContact O-CB 3.29Å; D188-V192 VanDerWaalsContact O-CG2 3.23Å; D188-V192 WeakPolarHBondContact O-CG2 3.23Å; D188-V192 PolarHBondContact O-N 3.44Å; D188-R284 IonicContact OD1-CZ 3.76Å; D188-R284 IonicContact OD1-NE 2.93Å; D188-R284 PolarHBondContact OD1-NE 3.46Å; D188-R284 IonicContact OD1-NH2 3.77Å; D188-R284 PolarHBondContact OD1-NH2 2.99Å; D188-K288 IonicContact OD1-NZ 2.71Å; D188-K288 IonicContact OD2-NZ 3.82Å; D188-K288 PolarHBondContact OD2-NZ 3.38Å; D188-L291 HydrophobicContact CB-CD1 4.09Å
189	I	87.3	Confident	89.4	Confident	19 Å²	19	35.4 Å²	35.4	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-48.6	178.3	-62.9	172.6	0	0	0	110.3	V172 Q173 I184 S185 R186 R187 V192 Q193	V172-I189 HydrophobicContact CG1-CB 4.1Å; V172-I189 HydrophobicContact CG1-CG1 3.89Å; V172-I189 HydrophobicContact CG1-CG2 3.82Å; V172-I189 HydrophobicContact CG2-CG1 4.09Å; Q173-I189 HydrophobicContact CG-CD1 4.16Å; Q173-I189 HydrophobicContact CG-CG2 4.34Å; I184-I189 HydrophobicContact CG2-CD1 4.49Å; I184-I189 HydrophobicContact CG2-CG1 3.94Å; S185-I189 WeakPolarHBondContact O-CG1 3.42Å; S185-I189 PolarHBondContact O-N 3.23Å; S185-I189 VanDerWaalsContact O-N 3.11Å; R186-I189 PolarHBondContact O-N 3.03Å; R187-I189 PolarHBondContact O-N 2.75Å; I189-V192 PolarHBondContact O-N 2.71Å; I189-Q193 WeakPolarHBondContact O-CG 3.35Å; I189-Q193 PolarHBondContact O-N 2.85Å
190	L	92	Very high	90.1	Very high	13 Å²	13	35 Å²	35	7%	0.068	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-45.2	178.3	-80.5	175.3	0	0	0	112.1	H122 R186 R187 D188 V192 Q193 I194 L252	H122-L190 HydrophobicContact CB-CD2 3.85Å; R186-L190 PolarHBondContact O-N 3.49Å; R187-L190 PolarHBondContact O-N 2.98Å; D188-L190 PolarHBondContact O-N 3.29Å; L190-V192 VanDerWaalsContact C-N 3.32Å; L190-V192 PolarHBondContact O-N 3.34Å; L190-Q193 PolarHBondContact O-N 3.23Å; L190-I194 VanDerWaalsContact O-CG1 3.23Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.34Å; L190-L252 HydrophobicContact CB-CD1 4.32Å; L190-L252 HydrophobicContact CD1-CD1 4.14Å
191	C	97.8	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-42.1	177.1	-68.7	0	0	0	0	112.3	R187 D188 I194 A195 F260 I261	R187-C191 PolarHBondContact O-N 2.84Å; R187-C191 PolarHBondContact O-SG 3.1Å; D188-C191 PolarHBondContact O-N 3.26Å; C191-I194 PolarHBondContact O-N 3.2Å; C191-A195 WeakPolarHBondContact O-CB 3.36Å; C191-A195 PolarHBondContact O-N 3.01Å; C191-F260 HydrophobicContact CB-CD1 3.46Å; C191-F260 VanDerWaalsContact CB-CD1 3.46Å; C191-F260 HydrophobicContact CB-CE1 3.62Å; C191-I261 HydrophobicContact CB-CD1 4.49Å; C191-I261 HydrophobicContact CB-CG1 4.03Å
192	V	98.5	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-41.1	176.6	170.4	0	0	0	0	111	A168 V172 D188 I189 L190 A195 G196 F260 L291 I294 V295	A168-V192 HydrophobicContact CB-CG1 3.88Å; V172-V192 HydrophobicContact CB-CG1 4.29Å; V172-V192 HydrophobicContact CG1-CG1 4.27Å; D188-V192 WeakPolarHBondContact O-CB 3.29Å; D188-V192 VanDerWaalsContact O-CG2 3.23Å; D188-V192 WeakPolarHBondContact O-CG2 3.23Å; D188-V192 PolarHBondContact O-N 3.44Å; I189-V192 PolarHBondContact O-N 2.71Å; L190-V192 VanDerWaalsContact C-N 3.32Å; L190-V192 PolarHBondContact O-N 3.34Å; V192-A195 PolarHBondContact O-N 2.83Å; V192-G196 PolarHBondContact O-N 3.27Å; V192-F260 HydrophobicContact CG2-CE1 4.28Å; V192-F260 HydrophobicContact CG2-CZ 4.16Å; V192-L291 HydrophobicContact CG2-CB 4.48Å; V192-L291 HydrophobicContact CG2-CD2 4.31Å; V192-I294 HydrophobicContact CG1-CB 4.23Å; V192-I294 HydrophobicContact CG1-CD1 4.03Å; V192-I294 HydrophobicContact CG1-CG2 3.67Å; V192-I294 HydrophobicContact CG2-CD1 4.5Å; V192-V295 HydrophobicContact CG1-CG2 4.43Å
193	Q	98.4	Very high	92.9	Very high	16 Å²	16	25.3 Å²	25.3	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-42	174.9	-70.7	-176.2	-68.2	0	0	112.5	L125 I189 L190 G196 L197	L125-Q193 HydrophobicContact CD1-CB 3.99Å; L125-Q193 HydrophobicContact CD2-CB 4.03Å; I189-Q193 WeakPolarHBondContact O-CG 3.35Å; I189-Q193 PolarHBondContact O-N 2.85Å; L190-Q193 PolarHBondContact O-N 3.23Å; Q193-G196 PolarHBondContact O-N 3.13Å; Q193-L197 VanDerWaalsContact O-CB 3.29Å; Q193-L197 WeakPolarHBondContact O-CB 3.49Å; Q193-L197 PolarHBondContact O-N 2.98Å
194	I	98.8	Very high	93.8	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.6	-64.9	163	0	0	0	110.1	L124 L125 I128 L190 C191 G196 L197 C198 F234 M247 L252 I261	L124-I194 HydrophobicContact CD2-CD1 3.95Å; L125-I194 HydrophobicContact CD2-CB 4.44Å; L125-I194 HydrophobicContact CD2-CG1 3.56Å; I128-I194 HydrophobicContact CD1-CB 4.48Å; I128-I194 HydrophobicContact CD1-CD1 4.15Å; I128-I194 HydrophobicContact CD1-CG1 3.83Å; I128-I194 HydrophobicContact CD1-CG2 3.85Å; L190-I194 VanDerWaalsContact O-CG1 3.23Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.34Å; C191-I194 PolarHBondContact O-N 3.2Å; I194-G196 PolarHBondContact O-N 2.84Å; I194-L197 PolarHBondContact O-N 2.87Å; I194-C198 VanDerWaalsContact O-CB 3.27Å; I194-C198 WeakPolarHBondContact O-CB 3.34Å; I194-C198 PolarHBondContact O-N 3.24Å; I194-C198 PolarHBondContact O-SG 3.36Å; I194-C198 VanDerWaalsContact O-SG 3.36Å; I194-F234 HydrophobicContact CG2-CE2 3.73Å; I194-F234 HydrophobicContact CG2-CZ 3.99Å; I194-M247 HydrophobicContact CD1-CE 4.34Å; I194-L252 HydrophobicContact CD1-CD2 3.94Å; I194-I261 HydrophobicContact CB-CD1 4.01Å; I194-I261 HydrophobicContact CB-CG1 4.33Å; I194-I261 HydrophobicContact CD1-CD1 4.08Å; I194-I261 HydrophobicContact CG2-CD1 3.78Å; I194-I261 HydrophobicContact CG2-CG1 4.3Å; I194-I261 HydrophobicContact CG2-CG2 4Å
195	A	98.8	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-45.8	175.4	0	0	0	0	0	111.7	C191 V192 L197 C198 H199 I261 Q264 I265 V295	C191-A195 WeakPolarHBondContact O-CB 3.36Å; C191-A195 PolarHBondContact O-N 3.01Å; V192-A195 PolarHBondContact O-N 2.83Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.46Å; A195-C198 PolarHBondContact O-N 3.27Å; A195-H199 PolarHBondContact O-N 3.22Å; A195-I261 HydrophobicContact CB-CG2 4.2Å; A195-Q264 HydrophobicContact CB-CB 3.66Å; A195-Q264 HydrophobicContact CB-CG 4.38Å; A195-I265 HydrophobicContact CB-CG1 4.37Å; A195-V295 HydrophobicContact CB-CG2 4.01Å
196	G	98.7	Very high	95.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-40.8	175.2	0	0	0	0	0	113	V164 V192 Q193 I194 H199	V164-G196 WeakPolarHBondContact CG1-O 3.5Å; V192-G196 PolarHBondContact O-N 3.27Å; Q193-G196 PolarHBondContact O-N 3.13Å; I194-G196 PolarHBondContact O-N 2.84Å; G196-H199 PolarHBondContact O-ND1 3.45Å
197	L	98.6	Very high	96.4	Very high	3 Å²	3	6.7 Å²	6.7	2%	0.016	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-41.5	176.4	-173.3	68.3	0	0	0	111.5	L125 I128 I129 F134 S161 I162 Q193 I194 A195	L125-L197 HydrophobicContact CB-CD2 4.33Å; L125-L197 HydrophobicContact CD2-CD2 4.12Å; I128-L197 HydrophobicContact CB-CD2 4.24Å; I128-L197 HydrophobicContact CG2-CD2 3.84Å; I129-L197 HydrophobicContact CD1-CD1 4.09Å; I129-L197 HydrophobicContact CD1-CD2 4.3Å; I129-L197 HydrophobicContact CG1-CD1 3.96Å; I129-L197 HydrophobicContact CG1-CD2 3.83Å; I129-L197 HydrophobicContact CG1-CG 4.43Å; F134-L197 HydrophobicContact CD2-CG 4.32Å; F134-L197 HydrophobicContact CE1-CD1 4.36Å; F134-L197 HydrophobicContact CE2-CD1 3.57Å; F134-L197 HydrophobicContact CE2-CD2 4.33Å; F134-L197 HydrophobicContact CE2-CG 3.53Å; F134-L197 WeakPolarHBondContact CE2-O 3.39Å; F134-L197 HydrophobicContact CZ-CD1 3.38Å; F134-L197 HydrophobicContact CZ-CG 3.91Å; S161-L197 WeakPolarHBondContact CB-O 3.3Å; I162-L197 HydrophobicContact CG1-CD1 4.23Å; Q193-L197 VanDerWaalsContact O-CB 3.29Å; Q193-L197 WeakPolarHBondContact O-CB 3.49Å; Q193-L197 PolarHBondContact O-N 2.98Å; I194-L197 PolarHBondContact O-N 2.87Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.46Å
198	C	98.8	Very high	97	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-95	-2.5	-169.7	-66.5	0	0	0	0	115.1	I194 A195 D200 L201 F234 I265	I194-C198 VanDerWaalsContact O-CB 3.27Å; I194-C198 WeakPolarHBondContact O-CB 3.34Å; I194-C198 PolarHBondContact O-N 3.24Å; I194-C198 PolarHBondContact O-SG 3.36Å; I194-C198 VanDerWaalsContact O-SG 3.36Å; A195-C198 PolarHBondContact O-N 3.27Å; C198-D200 PolarHBondContact O-N 2.97Å; C198-D200 VanDerWaalsContact O-N 3.13Å; C198-L201 HydrophobicContact CB-CD1 3.62Å; C198-L201 HydrophobicContact CB-CG 4.17Å; C198-L201 WeakPolarHBondContact O-CB 3.33Å; C198-L201 WeakPolarHBondContact O-CG 3.41Å; C198-L201 PolarHBondContact O-N 2.94Å; C198-F234 HydrophobicContact CB-CD2 4Å; C198-I265 HydrophobicContact CB-CD1 4.03Å
199	H	98.6	Very high	97.5	Very high	16 Å²	16	8.6 Å²	8.6	7%	0.074	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.1	-172.6	80.9	-74.7	0	0	0	113.8	H160 A195 G196 S230 I265 V295 D305	H160-H199 AromaticContact NE2-CE1 3.49Å; H160-H199 PolarHBondContact NE2-CE1 3.03Å; H160-H199 AromaticContact NE2-NE2 3.36Å; H160-H199 PolarHBondContact NE2-NE2 2.82Å; A195-H199 PolarHBondContact O-N 3.22Å; G196-H199 PolarHBondContact O-ND1 3.45Å; H199-S230 VanDerWaalsContact O-CB 3.3Å; H199-S230 WeakPolarHBondContact O-CB 3.36Å; H199-S230 PolarHBondContact O-OG 3.1Å; H199-I265 HydrophobicContact CB-CG1 4.24Å; H199-I265 HydrophobicContact CB-CG2 4.35Å; H199-V295 HydrophobicContact CB-CG1 4.09Å; H199-D305 IonicContact NE2-OD1 3Å
200	D	98.6	Very high	98	Very high	5 Å²	5	7.7 Å²	7.7	3%	0.027	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	8.2	-174.8	-96.9	2.3	0	0	0	114.6	R157 H160 C198 G202 H203	R157-D200 WeakPolarHBondContact CD-OD2 3.17Å; R157-D200 IonicContact CZ-OD2 2.8Å; R157-D200 IonicContact NE-OD2 3.3Å; R157-D200 IonicContact NH1-OD1 3.46Å; R157-D200 IonicContact NH1-OD2 3.24Å; R157-D200 PolarHBondContact NH1-OD2 3.1Å; H160-D200 IonicContact CD2-OD2 2.85Å; H160-D200 PolarHBondContact CD2-OD2 3.46Å; H160-D200 IonicContact NE2-OD2 3.51Å; H160-D200 PolarHBondContact NE2-OD2 3.21Å; C198-D200 PolarHBondContact O-N 2.97Å; C198-D200 VanDerWaalsContact O-N 3.13Å; D200-G202 PolarHBondContact O-N 3.05Å; D200-H203 VanDerWaalsContact CG-CD2 3.46Å; D200-H203 PolarHBondContact O-N 3.32Å; D200-H203 IonicContact OD1-CD2 3.71Å; D200-H203 PolarHBondContact OD1-CD2 3.06Å; D200-H203 IonicContact OD1-NE2 2.81Å; D200-H203 PolarHBondContact OD1-NE2 3.16Å; D200-H203 IonicContact OD2-CD2 2.8Å
201	L	98.8	Very high	98.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.1	177.3	-80.8	177.7	0	0	0	113.3	F134 R136 L137 C198 S230 M233 F234 L237	F134-L201 HydrophobicContact CB-CD2 4.3Å; F134-L201 HydrophobicContact CD2-CD2 3.82Å; F134-L201 HydrophobicContact CG-CD2 4.47Å; R136-L201 PolarHBondContact NH1-O 3.29Å; L137-L201 HydrophobicContact CD1-CD2 4.18Å; C198-L201 HydrophobicContact CB-CD1 3.62Å; C198-L201 HydrophobicContact CB-CG 4.17Å; C198-L201 WeakPolarHBondContact O-CB 3.33Å; C198-L201 WeakPolarHBondContact O-CG 3.41Å; C198-L201 PolarHBondContact O-N 2.94Å; L201-S230 PolarHBondContact N-OG 3.08Å; L201-M233 HydrophobicContact CB-CB 4.02Å; L201-M233 HydrophobicContact CB-CG 3.86Å; L201-M233 HydrophobicContact CD1-CG 4.39Å; L201-M233 HydrophobicContact CD2-CG 4.31Å; L201-M233 HydrophobicContact CG-CG 4.43Å; L201-F234 HydrophobicContact CD1-CB 4.07Å; L201-F234 HydrophobicContact CD1-CD2 4.4Å; L201-L237 HydrophobicContact CD1-CD1 4.04Å; L201-L237 HydrophobicContact CD2-CD1 4.33Å
202	G	98.2	Very high	98	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	-176.5	0	0	0	0	0	115.7	D200 G204 H226 S230 Y413	D200-G202 PolarHBondContact O-N 3.05Å; G202-G204 PolarHBondContact O-N 2.86Å; G202-H226 WeakPolarHBondContact CA-O 3.27Å; G202-S230 WeakPolarHBondContact CA-OG 3.45Å; G202-S230 PolarHBondContact N-OG 3.03Å; G202-Y413 PolarHBondContact O-OH 3.04Å
203	H	98.6	Very high	97.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	8%	0.075	C	C	.	.			trans	-64.5	133.5	-179.2	-94.7	-67.5	0	0	0	112.4	R136 I140 R157 D200 H208 H226	R136-H203 PolarHBondContact NH2-O 3.13Å; I140-H203 VanDerWaalsContact CD1-O 3.25Å; I140-H203 WeakPolarHBondContact CD1-O 3.46Å; R157-H203 HydrophobicContact CG-CB 4.42Å; R157-H203 PolarHBondContact NH1-NE2 3.49Å; D200-H203 VanDerWaalsContact CG-CD2 3.46Å; D200-H203 PolarHBondContact O-N 3.32Å; D200-H203 IonicContact OD1-CD2 3.71Å; D200-H203 PolarHBondContact OD1-CD2 3.06Å; D200-H203 IonicContact OD1-NE2 2.81Å; D200-H203 PolarHBondContact OD1-NE2 3.16Å; D200-H203 IonicContact OD2-CD2 2.8Å; H203-H208 AromaticContact CE1-CE1 3.5Å; H203-H208 PolarHBondContact CE1-CE1 2.72Å; H203-H208 VanDerWaalsContact CE1-CE1 3.5Å; H203-H208 AromaticContact CE1-ND1 3.68Å; H203-H208 AromaticContact CE1-NE2 3.91Å; H203-H226 AromaticContact CD2-CD2 3.93Å; H203-H226 AromaticContact CE1-CD2 3.87Å; H203-H226 AromaticContact CE1-CG 3.65Å; H203-H226 AromaticContact CE1-ND1 3.8Å; H203-H226 AromaticContact NE2-CD2 3.46Å; H203-H226 PolarHBondContact NE2-CD2 3.36Å; H203-H226 AromaticContact NE2-CG 3.72Å; H203-H226 AromaticContact NE2-NE2 3.79Å
204	G	98.3	Very high	97.7	Very high	1 Å²	1	12 Å²	12	1%	0.01	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-91.5	-173.7	176.4	0	0	0	0	0	113.2	I140 G202 F206 S207 Y413	I140-G204 WeakPolarHBondContact CG2-O 3.27Å; G202-G204 PolarHBondContact O-N 2.86Å; G204-F206 PolarHBondContact O-N 3.39Å; G204-S207 PolarHBondContact O-N 3.41Å; G204-Y413 VanDerWaalsContact CA-OH 3.24Å; G204-Y413 WeakPolarHBondContact CA-OH 3.23Å; G204-Y413 PolarHBondContact N-OH 2.91Å; G204-Y413 VanDerWaalsContact N-OH 3.12Å
205	P	98.5	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	129.6	176.5	-26.7	31.9	0	0	0	113.3	S207 F210 F384 L416 T417 D418	P205-S207 PolarHBondContact O-N 2.96Å; P205-F210 HydrophobicContact CB-CD2 4.36Å; P205-F210 HydrophobicContact CG-CD2 4.15Å; P205-F210 HydrophobicContact CG-CE2 4.23Å; P205-F210 WeakPolarHBondContact O-CB 3.41Å; P205-F384 HydrophobicContact CB-CE2 3.97Å; P205-L416 HydrophobicContact CG-CD1 4.28Å; P205-L416 HydrophobicContact CG-CD2 4.2Å; P205-L416 HydrophobicContact CG-CG 3.7Å; P205-T417 WeakPolarHBondContact CG-O 3.21Å; P205-D418 VanDerWaalsContact CA-OD1 3.25Å; P205-D418 WeakPolarHBondContact CA-OD1 3.47Å
206	F	98.4	Very high	97.4	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.026	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	31.1	-175.5	-57.8	-88.4	0	0	0	113.9	Y148 G204 H208 M209 I380 F384 D418 F421	Y148-F206 HydrophobicContact CE2-CE1 4.19Å; G204-F206 PolarHBondContact O-N 3.39Å; F206-H208 PolarHBondContact O-N 2.98Å; F206-H208 VanDerWaalsContact O-N 3.1Å; F206-M209 HydrophobicContact CB-CB 3.96Å; F206-M209 HydrophobicContact CB-CE 3.95Å; F206-M209 HydrophobicContact CB-SD 3.92Å; F206-M209 HydrophobicContact CD2-CE 4.07Å; F206-M209 HydrophobicContact CD2-SD 4.4Å; F206-M209 HydrophobicContact CG-CE 4.37Å; F206-M209 HydrophobicContact CG-SD 4.3Å; F206-M209 WeakPolarHBondContact O-CB 3.41Å; F206-M209 PolarHBondContact O-N 2.69Å; F206-I380 HydrophobicContact CD1-CD1 4.12Å; F206-I380 HydrophobicContact CD2-CG2 4.08Å; F206-I380 HydrophobicContact CE1-CD1 3.94Å; F206-I380 HydrophobicContact CE2-CD1 4.44Å; F206-I380 HydrophobicContact CE2-CG2 4.07Å; F206-I380 HydrophobicContact CG-CD1 4.46Å; F206-I380 HydrophobicContact CZ-CD1 4.11Å; F206-F384 HydrophobicContact CD2-CE2 4.48Å; F206-F384 HydrophobicContact CD2-CZ 4.24Å; F206-F384 AromaticContact CE2-CZ 3.95Å; F206-F384 HydrophobicContact CE2-CZ 3.95Å; F206-D418 HydrophobicContact CE2-CB 4.31Å; F206-D418 HydrophobicContact CZ-CB 4.31Å; F206-D418 PolarHBondContact N-OD1 2.85Å; F206-F421 HydrophobicContact CE2-CB 3.96Å; F206-F421 HydrophobicContact CE2-CD2 4.19Å; F206-F421 HydrophobicContact CE2-CG 4.5Å; F206-F421 HydrophobicContact CZ-CB 3.84Å; F206-F421 AromaticContact CZ-CD2 3.75Å; F206-F421 HydrophobicContact CZ-CD2 3.75Å; F206-F421 HydrophobicContact CZ-CG 4.05Å
207	S	97.9	Very high	97.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	53.5	-109.6	172	-67.3	0	0	0	0	113.7	K141 Q142 R157 G204 P205 M209 F210	K141-S207 WeakPolarHBondContact O-CB 3.36Å; K141-S207 PolarHBondContact O-OG 3.29Å; Q142-S207 PolarHBondContact O-OG 3.22Å; R157-S207 PolarHBondContact NE-OG 3.31Å; G204-S207 PolarHBondContact O-N 3.41Å; P205-S207 PolarHBondContact O-N 2.96Å; S207-M209 VanDerWaalsContact C-N 3.27Å; S207-M209 PolarHBondContact O-N 2.81Å; S207-F210 PolarHBondContact O-N 3.05Å
208	H	96.7	Very high	97.1	Very high	99 Å²	99	20.4 Å²	20.4	46%	0.458	12%	0.119	S	C	.	.	H	α-helix	trans	-73.5	-16.6	-174.3	-73	-60.9	0	0	0	113.9	H203 F206 F210 D211 G212 H226	H203-H208 AromaticContact CE1-CE1 3.5Å; H203-H208 PolarHBondContact CE1-CE1 2.72Å; H203-H208 VanDerWaalsContact CE1-CE1 3.5Å; H203-H208 AromaticContact CE1-ND1 3.68Å; H203-H208 AromaticContact CE1-NE2 3.91Å; F206-H208 PolarHBondContact O-N 2.98Å; F206-H208 VanDerWaalsContact O-N 3.1Å; H208-F210 PolarHBondContact O-N 3.42Å; H208-D211 WeakPolarHBondContact CA-OD1 3.24Å; H208-D211 IonicContact ND1-OD1 2.87Å; H208-D211 VanDerWaalsContact O-OD1 3.08Å; H208-G212 VanDerWaalsContact O-CA 3.31Å; H208-G212 WeakPolarHBondContact O-CA 3.4Å; H208-G212 PolarHBondContact O-N 3.21Å; H208-H226 AromaticContact CE1-CE1 3.88Å
209	M	97.3	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-37.7	171.3	-177.3	-150.5	78.3	0	0	110.4	F206 S207 M213 F214 E377 I380 T381 F384	F206-M209 HydrophobicContact CB-CB 3.96Å; F206-M209 HydrophobicContact CB-CE 3.95Å; F206-M209 HydrophobicContact CB-SD 3.92Å; F206-M209 HydrophobicContact CD2-CE 4.07Å; F206-M209 HydrophobicContact CD2-SD 4.4Å; F206-M209 HydrophobicContact CG-CE 4.37Å; F206-M209 HydrophobicContact CG-SD 4.3Å; F206-M209 WeakPolarHBondContact O-CB 3.41Å; F206-M209 PolarHBondContact O-N 2.69Å; S207-M209 VanDerWaalsContact C-N 3.27Å; S207-M209 PolarHBondContact O-N 2.81Å; M209-M213 HydrophobicContact CG-CB 4.41Å; M209-M213 HydrophobicContact CG-SD 4.15Å; M209-M213 WeakPolarHBondContact O-CA 3.44Å; M209-M213 VanDerWaalsContact O-CB 3.27Å; M209-M213 WeakPolarHBondContact O-CB 3.43Å; M209-M213 PolarHBondContact O-N 3.39Å; M209-F214 PolarHBondContact O-N 3.22Å; M209-E377 HydrophobicContact CB-CB 4.36Å; M209-E377 HydrophobicContact CB-CG 4.26Å; M209-E377 HydrophobicContact CG-CB 3.92Å; M209-E377 HydrophobicContact CG-CG 4.27Å; M209-E377 HydrophobicContact SD-CB 4.43Å; M209-I380 HydrophobicContact CE-CG2 3.83Å; M209-I380 HydrophobicContact SD-CB 3.67Å; M209-I380 HydrophobicContact SD-CG2 3.43Å; M209-I380 WeakPolarHBondContact SD-CG2 3.2Å; M209-T381 WeakPolarHBondContact CG-OG1 3.37Å; M209-F384 HydrophobicContact CE-CD2 4.14Å; M209-F384 HydrophobicContact CE-CE2 4.12Å
210	F	97.8	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-68.3	-53.2	-174.7	-161.7	-105.1	0	0	0	112.7	P205 S207 H208 F214 I215 W224 I407 Y413 L416	P205-F210 HydrophobicContact CB-CD2 4.36Å; P205-F210 HydrophobicContact CG-CD2 4.15Å; P205-F210 HydrophobicContact CG-CE2 4.23Å; P205-F210 WeakPolarHBondContact O-CB 3.41Å; S207-F210 PolarHBondContact O-N 3.05Å; H208-F210 PolarHBondContact O-N 3.42Å; F210-F214 HydrophobicContact CD2-CB 4.34Å; F210-F214 AromaticContact CD2-CD1 3.6Å; F210-F214 HydrophobicContact CD2-CD1 3.6Å; F210-F214 HydrophobicContact CD2-CE1 4.32Å; F210-F214 HydrophobicContact CD2-CG 4.29Å; F210-F214 AromaticContact CE2-CD1 3.25Å; F210-F214 HydrophobicContact CE2-CD1 3.25Å; F210-F214 AromaticContact CE2-CE1 3.53Å; F210-F214 HydrophobicContact CE2-CE1 3.53Å; F210-F214 HydrophobicContact CE2-CG 4.28Å; F210-F214 HydrophobicContact CG-CD1 4.42Å; F210-F214 AromaticContact CZ-CD1 3.81Å; F210-F214 HydrophobicContact CZ-CD1 3.81Å; F210-F214 AromaticContact CZ-CE1 3.9Å; F210-F214 HydrophobicContact CZ-CE1 3.9Å; F210-F214 PolarHBondContact O-N 3.33Å; F210-I215 HydrophobicContact CD1-CD1 4.43Å; F210-I215 HydrophobicContact CD1-CG1 3.86Å; F210-I215 HydrophobicContact CE1-CD1 3.7Å; F210-I215 HydrophobicContact CE1-CG1 3.6Å; F210-I215 HydrophobicContact CZ-CD1 3.76Å; F210-I215 HydrophobicContact CZ-CG1 4.09Å; F210-I215 WeakPolarHBondContact O-CG1 3.38Å; F210-I215 PolarHBondContact O-N 3.25Å; F210-W224 AromaticContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CH2 3.85Å; F210-W224 AromaticContact CD1-CZ3 3.8Å; F210-W224 HydrophobicContact CD1-CZ3 3.8Å; F210-W224 HydrophobicContact CE1-CH2 4.15Å; F210-W224 HydrophobicContact CE1-CZ3 4.25Å; F210-I407 HydrophobicContact CE1-CG2 3.68Å; F210-I407 HydrophobicContact CZ-CG2 4.22Å; F210-Y413 HydrophobicContact CE1-CE2 4.03Å; F210-L416 HydrophobicContact CE1-CD2 4.25Å; F210-L416 HydrophobicContact CE2-CD2 3.95Å; F210-L416 HydrophobicContact CZ-CD2 3.51Å
211	D	95.5	Very high	96	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.134	20%	0.2	C	C	.	.	I	π-helix	trans	-78.8	-31.9	-179.3	71.8	-30.9	0	0	0	112.8	H208 P216 W224 H226	H208-D211 WeakPolarHBondContact CA-OD1 3.24Å; H208-D211 IonicContact ND1-OD1 2.87Å; H208-D211 VanDerWaalsContact O-OD1 3.08Å; D211-P216 VanDerWaalsContact O-CD 3.24Å; D211-P216 WeakPolarHBondContact O-CD 3.47Å; D211-P216 VanDerWaalsContact O-CG 3.25Å; D211-P216 WeakPolarHBondContact O-CG 3.3Å; D211-W224 HydrophobicContact CB-CE3 3.66Å; D211-W224 HydrophobicContact CB-CH2 4.31Å; D211-W224 HydrophobicContact CB-CZ3 3.27Å; D211-H226 IonicContact OD2-CE1 3.37Å; D211-H226 IonicContact OD2-CG 3.3Å; D211-H226 IonicContact OD2-ND1 3.54Å; D211-H226 PolarHBondContact OD2-ND1 2.87Å
212	G	93.6	Very high	95.6	Very high	51 Å²	51	34.5 Å²	34.5	53%	0.526	22%	0.217	S	C	.	.	I	π-helix	trans	-88	-23.1	-177.1	0	0	0	0	0	115.5	H208	H208-G212 VanDerWaalsContact O-CA 3.31Å; H208-G212 WeakPolarHBondContact O-CA 3.4Å; H208-G212 PolarHBondContact O-N 3.21Å
213	M	94.6	Very high	95.2	Very high	43 Å²	43	41.3 Å²	41.3	21%	0.212	25%	0.254	C	S	.	.	I	π-helix	trans	-129.5	-51.1	-174.7	-54.2	178.5	67.2	0	0	113.5	M209 K217 E377 T378 T381	M209-M213 HydrophobicContact CG-CB 4.41Å; M209-M213 HydrophobicContact CG-SD 4.15Å; M209-M213 WeakPolarHBondContact O-CA 3.44Å; M209-M213 VanDerWaalsContact O-CB 3.27Å; M209-M213 WeakPolarHBondContact O-CB 3.43Å; M209-M213 PolarHBondContact O-N 3.39Å; M213-K217 VanDerWaalsContact O-CG 3.29Å; M213-K217 WeakPolarHBondContact O-CG 3.47Å; M213-E377 HydrophobicContact CE-CB 4.5Å; M213-E377 HydrophobicContact SD-CB 3.94Å; M213-T378 VanDerWaalsContact CE-OG1 3.31Å; M213-T378 WeakPolarHBondContact CE-OG1 3.4Å; M213-T381 HydrophobicContact CB-CG2 4.23Å
214	F	97.3	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-72.3	-58.3	-174	173.6	-106.1	0	0	0	112.8	M209 F210 K217 A218 T381 F384 L385 D388 L403	M209-F214 PolarHBondContact O-N 3.22Å; F210-F214 HydrophobicContact CD2-CB 4.34Å; F210-F214 AromaticContact CD2-CD1 3.6Å; F210-F214 HydrophobicContact CD2-CD1 3.6Å; F210-F214 HydrophobicContact CD2-CE1 4.32Å; F210-F214 HydrophobicContact CD2-CG 4.29Å; F210-F214 AromaticContact CE2-CD1 3.25Å; F210-F214 HydrophobicContact CE2-CD1 3.25Å; F210-F214 AromaticContact CE2-CE1 3.53Å; F210-F214 HydrophobicContact CE2-CE1 3.53Å; F210-F214 HydrophobicContact CE2-CG 4.28Å; F210-F214 HydrophobicContact CG-CD1 4.42Å; F210-F214 AromaticContact CZ-CD1 3.81Å; F210-F214 HydrophobicContact CZ-CD1 3.81Å; F210-F214 AromaticContact CZ-CE1 3.9Å; F210-F214 HydrophobicContact CZ-CE1 3.9Å; F210-F214 PolarHBondContact O-N 3.33Å; F214-K217 PolarHBondContact O-N 2.75Å; F214-K217 VanDerWaalsContact O-N 3.12Å; F214-A218 HydrophobicContact CD2-CB 4.48Å; F214-A218 HydrophobicContact CE1-CB 4.39Å; F214-A218 HydrophobicContact CE2-CB 4.08Å; F214-A218 HydrophobicContact CZ-CB 4.04Å; F214-A218 WeakPolarHBondContact O-CB 3.38Å; F214-A218 PolarHBondContact O-N 2.72Å; F214-T381 HydrophobicContact CB-CG2 4.24Å; F214-F384 HydrophobicContact CD2-CB 3.64Å; F214-F384 HydrophobicContact CE2-CB 3.6Å; F214-F384 HydrophobicContact CG-CB 4.5Å; F214-F384 HydrophobicContact CZ-CB 4.41Å; F214-L385 HydrophobicContact CD2-CD2 4.12Å; F214-L385 HydrophobicContact CD2-CG 4.17Å; F214-L385 HydrophobicContact CE2-CD2 4.02Å; F214-L385 HydrophobicContact CE2-CG 4.25Å; F214-D388 HydrophobicContact CZ-CB 4.43Å; F214-L403 HydrophobicContact CE1-CB 4.16Å; F214-L403 HydrophobicContact CZ-CB 3.84Å
215	I	97	Very high	94.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-44.8	-178.1	-67.4	-57.4	0	0	0	112.6	F210 K217 A218 R219 W224 I407	F210-I215 HydrophobicContact CD1-CD1 4.43Å; F210-I215 HydrophobicContact CD1-CG1 3.86Å; F210-I215 HydrophobicContact CE1-CD1 3.7Å; F210-I215 HydrophobicContact CE1-CG1 3.6Å; F210-I215 HydrophobicContact CZ-CD1 3.76Å; F210-I215 HydrophobicContact CZ-CG1 4.09Å; F210-I215 WeakPolarHBondContact O-CG1 3.38Å; F210-I215 PolarHBondContact O-N 3.25Å; I215-K217 PolarHBondContact O-N 3.36Å; I215-A218 PolarHBondContact O-N 2.87Å; I215-R219 PolarHBondContact O-N 2.73Å; I215-W224 HydrophobicContact CB-CE3 4.29Å; I215-W224 HydrophobicContact CG1-CE3 4.03Å; I215-W224 HydrophobicContact CG1-CZ3 4.14Å; I215-W224 HydrophobicContact CG2-CB 4.04Å; I215-W224 HydrophobicContact CG2-CE3 4.23Å; I215-I407 HydrophobicContact CD1-CD1 4.01Å; I215-I407 HydrophobicContact CD1-CG2 4Å; I215-I407 HydrophobicContact CG1-CG2 4.49Å; I215-I407 HydrophobicContact CG2-CD1 4.19Å
216	P	94.4	Very high	94.5	Very high	61 Å²	61	48.7 Å²	48.7	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-33	176.9	-27.2	36.4	0	0	0	113.9	D211	D211-P216 VanDerWaalsContact O-CD 3.24Å; D211-P216 WeakPolarHBondContact O-CD 3.47Å; D211-P216 VanDerWaalsContact O-CG 3.25Å; D211-P216 WeakPolarHBondContact O-CG 3.3Å
217	K	94.1	Very high	94.3	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.4	30%	0.298	S	S	.	.	H	α-helix	trans	-82.4	-38.8	177.4	-70.9	-178.7	179.4	-174.8	0	112.7	M213 F214 I215 T381 L385	M213-K217 VanDerWaalsContact O-CG 3.29Å; M213-K217 WeakPolarHBondContact O-CG 3.47Å; F214-K217 PolarHBondContact O-N 2.75Å; F214-K217 VanDerWaalsContact O-N 3.12Å; I215-K217 PolarHBondContact O-N 3.36Å; K217-T381 HydrophobicContact CD-CG2 3.98Å; K217-L385 HydrophobicContact CB-CD1 3.94Å; K217-L385 HydrophobicContact CB-CD2 4.04Å; K217-L385 HydrophobicContact CD-CD1 4.01Å
218	A	96.1	Very high	94.1	Very high	27 Å²	27	53.8 Å²	53.8	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-76	-35	-177.7	0	0	0	0	0	112.4	F214 I215 L385	F214-A218 HydrophobicContact CD2-CB 4.48Å; F214-A218 HydrophobicContact CE1-CB 4.39Å; F214-A218 HydrophobicContact CE2-CB 4.08Å; F214-A218 HydrophobicContact CZ-CB 4.04Å; F214-A218 WeakPolarHBondContact O-CB 3.38Å; F214-A218 PolarHBondContact O-N 2.72Å; I215-A218 PolarHBondContact O-N 2.87Å; A218-L385 HydrophobicContact CB-CD2 3.7Å
219	R	94.8	Very high	94.1	Very high	51 Å²	51	49.1 Å²	49.1	19%	0.192	30%	0.296	C	S	.	.	S	Bend	trans	-133.4	68.9	-176.8	-63	-176	71.6	-171.2	5.6	110.9	I215 G221 I222 S404 D408	I215-R219 PolarHBondContact O-N 2.73Å; R219-G221 PolarHBondContact O-N 2.7Å; R219-I222 HydrophobicContact CB-CD1 3.95Å; R219-I222 HydrophobicContact CB-CG1 4.38Å; R219-I222 VanDerWaalsContact NE-CD1 3.27Å; R219-I222 PolarHBondContact O-N 2.93Å; R219-S404 WeakPolarHBondContact CD-O 3.49Å; R219-S404 PolarHBondContact NH1-O 2.83Å; R219-D408 IonicContact CZ-OD2 2.66Å; R219-D408 VanDerWaalsContact CZ-OD2 3.24Å; R219-D408 VanDerWaalsContact NH1-CG 3.29Å; R219-D408 IonicContact NH1-OD1 3.55Å; R219-D408 PolarHBondContact NH1-OD1 3.39Å; R219-D408 IonicContact NH1-OD2 2.68Å; R219-D408 PolarHBondContact NH1-OD2 3.15Å; R219-D408 IonicContact NH2-OD1 3.76Å; R219-D408 IonicContact NH2-OD2 2.63Å; R219-D408 PolarHBondContact NH2-OD2 3.49Å
220	P	91.3	Very high	94.2	Very high	105 Å²	105	49.1 Å²	49.1	68%	0.682	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	137.6	179.3	25.7	-34.3	0	0	0	110.7
221	G	86.7	Confident	94.2	Very high	89 Å²	89	50.3 Å²	50.3	92%	0.918	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	-11.1	-179.1	0	0	0	0	0	115.2	R219	R219-G221 PolarHBondContact O-N 2.7Å
222	I	91.4	Very high	94.3	Very high	71 Å²	71	53.9 Å²	53.9	36%	0.364	32%	0.316	S	S	.	.			trans	-91.9	120.3	171.8	-56.3	-175.7	0	0	0	109.4	R219 W224	R219-I222 HydrophobicContact CB-CD1 3.95Å; R219-I222 HydrophobicContact CB-CG1 4.38Å; R219-I222 VanDerWaalsContact NE-CD1 3.27Å; R219-I222 PolarHBondContact O-N 2.93Å; I222-W224 HydrophobicContact CG2-CB 4.05Å; I222-W224 PolarHBondContact O-N 2.71Å
223	N	88	Confident	94.6	Very high	144 Å²	144	51.5 Å²	51.5	77%	0.77	29%	0.291	S	S	*	.			trans	-86.5	84.3	169.8	-174.4	18.7	0	0	0	109.3
224	W	93.1	Very high	94.8	Very high	26 Å²	26	49.4 Å²	49.4	10%	0.098	28%	0.281	C	S	.	.			trans	-102.7	139.9	177	-175.7	88	0	0	0	110.3	F210 D211 I215 I222 A229 I407 Y413	F210-W224 AromaticContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CH2 3.85Å; F210-W224 AromaticContact CD1-CZ3 3.8Å; F210-W224 HydrophobicContact CD1-CZ3 3.8Å; F210-W224 HydrophobicContact CE1-CH2 4.15Å; F210-W224 HydrophobicContact CE1-CZ3 4.25Å; D211-W224 HydrophobicContact CB-CE3 3.66Å; D211-W224 HydrophobicContact CB-CH2 4.31Å; D211-W224 HydrophobicContact CB-CZ3 3.27Å; I215-W224 HydrophobicContact CB-CE3 4.29Å; I215-W224 HydrophobicContact CG1-CE3 4.03Å; I215-W224 HydrophobicContact CG1-CZ3 4.14Å; I215-W224 HydrophobicContact CG2-CB 4.04Å; I215-W224 HydrophobicContact CG2-CE3 4.23Å; I222-W224 HydrophobicContact CG2-CB 4.05Å; I222-W224 PolarHBondContact O-N 2.71Å; W224-A229 HydrophobicContact CH2-CB 4.36Å; W224-A229 HydrophobicContact CZ2-CB 3.37Å; W224-I407 HydrophobicContact CB-CD1 4.45Å; W224-I407 HydrophobicContact CD2-CD1 4.32Å; W224-I407 HydrophobicContact CG-CD1 3.99Å; W224-I407 HydrophobicContact CH2-CG2 4.43Å; W224-I407 HydrophobicContact CZ2-CB 4.39Å; W224-I407 HydrophobicContact CZ2-CG2 3.98Å; W224-Y413 VanDerWaalsContact CH2-OH 3.28Å; W224-Y413 WeakPolarHBondContact CH2-OH 3.5Å; W224-Y413 AromaticContact CZ2-CZ 3.97Å
225	K	92.6	Very high	94.8	Very high	107 Å²	107	51.5 Å²	51.5	47%	0.465	29%	0.293	S	S	.	.			trans	-138.3	151.3	175.3	-54.8	-173.5	170.9	-171.6	0	110.4	E227 A228 A229	K225-E227 WeakPolarHBondContact CB-OE2 3.48Å; K225-E227 PolarHBondContact O-N 3.47Å; K225-A228 PolarHBondContact O-N 3.34Å; K225-A229 PolarHBondContact O-N 2.91Å
226	H	95.1	Very high	94.9	Very high	23 Å²	23	53.8 Å²	53.8	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-33.1	179.6	63.9	-87	0	0	0	112	G202 H203 H208 D211 A228 A229 S230	G202-H226 WeakPolarHBondContact CA-O 3.27Å; H203-H226 AromaticContact CD2-CD2 3.93Å; H203-H226 AromaticContact CE1-CD2 3.87Å; H203-H226 AromaticContact CE1-CG 3.65Å; H203-H226 AromaticContact CE1-ND1 3.8Å; H203-H226 AromaticContact NE2-CD2 3.46Å; H203-H226 PolarHBondContact NE2-CD2 3.36Å; H203-H226 AromaticContact NE2-CG 3.72Å; H203-H226 AromaticContact NE2-NE2 3.79Å; H208-H226 AromaticContact CE1-CE1 3.88Å; D211-H226 IonicContact OD2-CE1 3.37Å; D211-H226 IonicContact OD2-CG 3.3Å; D211-H226 IonicContact OD2-ND1 3.54Å; D211-H226 PolarHBondContact OD2-ND1 2.87Å; H226-A228 VanDerWaalsContact C-N 3.34Å; H226-A228 PolarHBondContact O-N 2.81Å; H226-A229 CarbonylContact O-C 3.46Å; H226-A229 WeakPolarHBondContact O-CA 3.45Å; H226-A229 WeakPolarHBondContact O-CB 3.32Å; H226-A229 PolarHBondContact O-N 3.3Å; H226-A229 VanDerWaalsContact O-N 3.11Å; H226-S230 PolarHBondContact O-N 3.24Å; H226-S230 PolarHBondContact O-OG 3.25Å; H226-S230 VanDerWaalsContact O-OG 3.09Å
227	E	94.4	Very high	95.1	Very high	65 Å²	65	50.9 Å²	50.9	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-39.5	179.3	-53.8	93.9	140	0	0	112	K225 A229 S230 L231	K225-E227 WeakPolarHBondContact CB-OE2 3.48Å; K225-E227 PolarHBondContact O-N 3.47Å; E227-A229 VanDerWaalsContact C-N 3.32Å; E227-S230 WeakPolarHBondContact O-CB 3.39Å; E227-S230 PolarHBondContact O-N 3.36Å; E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.36Å
228	A	94.5	Very high	95.3	Very high	50 Å²	50	46.6 Å²	46.6	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-67.5	-35.7	175.7	0	0	0	0	0	111.5	K225 H226 L231 K232	K225-A228 PolarHBondContact O-N 3.34Å; H226-A228 VanDerWaalsContact C-N 3.34Å; H226-A228 PolarHBondContact O-N 2.81Å; A228-L231 PolarHBondContact O-N 2.92Å; A228-K232 PolarHBondContact O-N 3.22Å
229	A	97.1	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-33.2	172.9	0	0	0	0	0	112.4	W224 K225 H226 E227 L231 K232 M233 Y413	W224-A229 HydrophobicContact CH2-CB 4.36Å; W224-A229 HydrophobicContact CZ2-CB 3.37Å; K225-A229 PolarHBondContact O-N 2.91Å; H226-A229 CarbonylContact O-C 3.46Å; H226-A229 WeakPolarHBondContact O-CA 3.45Å; H226-A229 WeakPolarHBondContact O-CB 3.32Å; H226-A229 PolarHBondContact O-N 3.3Å; H226-A229 VanDerWaalsContact O-N 3.11Å; E227-A229 VanDerWaalsContact C-N 3.32Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.41Å; A229-K232 PolarHBondContact O-N 2.9Å; A229-M233 VanDerWaalsContact O-CB 3.27Å; A229-M233 WeakPolarHBondContact O-CB 3.07Å; A229-M233 PolarHBondContact O-N 3.1Å; A229-Y413 HydrophobicContact CB-CE1 4.26Å
230	S	98.5	Very high	95.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-39.4	174.1	-62.8	0	0	0	0	110.9	H199 L201 G202 H226 E227 F234	H199-S230 VanDerWaalsContact O-CB 3.3Å; H199-S230 WeakPolarHBondContact O-CB 3.36Å; H199-S230 PolarHBondContact O-OG 3.1Å; L201-S230 PolarHBondContact N-OG 3.08Å; G202-S230 WeakPolarHBondContact CA-OG 3.45Å; G202-S230 PolarHBondContact N-OG 3.03Å; H226-S230 PolarHBondContact O-N 3.24Å; H226-S230 PolarHBondContact O-OG 3.25Å; H226-S230 VanDerWaalsContact O-OG 3.09Å; E227-S230 WeakPolarHBondContact O-CB 3.39Å; E227-S230 PolarHBondContact O-N 3.36Å; S230-F234 WeakPolarHBondContact O-CB 3.23Å; S230-F234 PolarHBondContact O-N 3.13Å
231	L	98.2	Very high	95.9	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-48.8	174.8	-56.2	-163.6	0	0	0	112	E227 A228 A229 M233 F234 D235 K262 I265 A266 T269	E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.36Å; A228-L231 PolarHBondContact O-N 2.92Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.41Å; L231-M233 VanDerWaalsContact C-N 3.35Å; L231-M233 PolarHBondContact O-N 2.87Å; L231-F234 PolarHBondContact O-N 2.9Å; L231-D235 PolarHBondContact O-N 3.23Å; L231-K262 HydrophobicContact CB-CD 4.43Å; L231-K262 HydrophobicContact CD1-CB 4.37Å; L231-K262 HydrophobicContact CD2-CB 3.79Å; L231-K262 HydrophobicContact CD2-CG 3.97Å; L231-K262 WeakPolarHBondContact CD2-O 3.26Å; L231-I265 HydrophobicContact CD2-CB 3.88Å; L231-I265 HydrophobicContact CD2-CD1 4.39Å; L231-I265 HydrophobicContact CD2-CG2 3.95Å; L231-A266 HydrophobicContact CD1-CB 3.63Å; L231-A266 HydrophobicContact CD2-CB 3.89Å; L231-A266 HydrophobicContact CG-CB 3.89Å; L231-T269 HydrophobicContact CD1-CG2 4.38Å
232	K	98.3	Very high	96.4	Very high	100 Å²	100	50.3 Å²	50.3	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-42.8	179.2	-68.3	-178.6	179.4	-175.3	0	111.6	A228 A229 F234 D235 Y236 M410	A228-K232 PolarHBondContact O-N 3.22Å; A229-K232 PolarHBondContact O-N 2.9Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-D235 PolarHBondContact O-N 2.74Å; K232-Y236 WeakPolarHBondContact O-CB 3.37Å; K232-Y236 PolarHBondContact O-N 3.37Å; K232-M410 HydrophobicContact CB-CE 4.26Å; K232-M410 HydrophobicContact CB-CG 3.98Å; K232-M410 HydrophobicContact CB-SD 3.7Å; K232-M410 HydrophobicContact CD-CE 4.36Å
233	M	98.7	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-36.5	177.8	-175.6	60.4	70.7	0	0	111.2	Q133 L201 A229 L231 Y236 L237 M410 Y413 T414	Q133-M233 HydrophobicContact CB-CG 4.24Å; Q133-M233 HydrophobicContact CB-SD 3.61Å; Q133-M233 HydrophobicContact CG-SD 3.58Å; Q133-M233 VanDerWaalsContact CG-SD 3.58Å; L201-M233 HydrophobicContact CB-CB 4.02Å; L201-M233 HydrophobicContact CB-CG 3.86Å; L201-M233 HydrophobicContact CD1-CG 4.39Å; L201-M233 HydrophobicContact CD2-CG 4.31Å; L201-M233 HydrophobicContact CG-CG 4.43Å; A229-M233 VanDerWaalsContact O-CB 3.27Å; A229-M233 WeakPolarHBondContact O-CB 3.07Å; A229-M233 PolarHBondContact O-N 3.1Å; L231-M233 VanDerWaalsContact C-N 3.35Å; L231-M233 PolarHBondContact O-N 2.87Å; M233-Y236 PolarHBondContact O-N 3.25Å; M233-Y236 HydrophobicContact SD-CD1 4.05Å; M233-L237 WeakPolarHBondContact O-CB 3.13Å; M233-L237 PolarHBondContact O-N 3.49Å; M233-M410 HydrophobicContact CB-SD 4.05Å; M233-M410 HydrophobicContact CE-CB 4.47Å; M233-M410 HydrophobicContact CE-SD 3.87Å; M233-Y413 HydrophobicContact CE-CD1 3.59Å; M233-Y413 HydrophobicContact CE-CE1 4.42Å; M233-Y413 HydrophobicContact CE-CG 4.36Å; M233-T414 WeakPolarHBondContact CE-OG1 3.49Å
234	F	98.7	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-46.8	174.9	178.3	-111.9	0	0	0	112.1	I194 C198 L201 S230 L231 K232 Y236 L237 V238 M247 L258 I261 K262	I194-F234 HydrophobicContact CG2-CE2 3.73Å; I194-F234 HydrophobicContact CG2-CZ 3.99Å; C198-F234 HydrophobicContact CB-CD2 4Å; L201-F234 HydrophobicContact CD1-CB 4.07Å; L201-F234 HydrophobicContact CD1-CD2 4.4Å; S230-F234 WeakPolarHBondContact O-CB 3.23Å; S230-F234 PolarHBondContact O-N 3.13Å; L231-F234 PolarHBondContact O-N 2.9Å; K232-F234 VanDerWaalsContact C-N 3.34Å; F234-Y236 VanDerWaalsContact C-N 3.32Å; F234-Y236 PolarHBondContact O-N 3.38Å; F234-L237 PolarHBondContact O-N 3.41Å; F234-V238 HydrophobicContact CD2-CG2 4.28Å; F234-V238 HydrophobicContact CE1-CG2 4.27Å; F234-V238 HydrophobicContact CE2-CG2 3.83Å; F234-V238 HydrophobicContact CZ-CG2 3.83Å; F234-V238 WeakPolarHBondContact O-CG2 3.13Å; F234-V238 PolarHBondContact O-N 2.67Å; F234-M247 HydrophobicContact CZ-CE 4.32Å; F234-L258 HydrophobicContact CE1-CD2 3.67Å; F234-L258 HydrophobicContact CZ-CD2 3.93Å; F234-I261 HydrophobicContact CD1-CG2 4.28Å; F234-I261 HydrophobicContact CE1-CB 4.25Å; F234-I261 HydrophobicContact CE1-CG2 3.71Å; F234-I261 HydrophobicContact CE2-CG2 4.31Å; F234-I261 HydrophobicContact CZ-CB 4.4Å; F234-I261 HydrophobicContact CZ-CD1 4.04Å; F234-I261 HydrophobicContact CZ-CG2 3.73Å; F234-K262 HydrophobicContact CD1-CD 4.46Å; F234-K262 HydrophobicContact CD1-CG 4.02Å; F234-K262 HydrophobicContact CE1-CG 4.44Å
235	D	98.5	Very high	97	Very high	44 Å²	44	47.5 Å²	47.5	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-45.5	174.9	-75.6	-32.1	0	0	0	110.3	L231 K232 L237 V238 D239 K262	L231-D235 PolarHBondContact O-N 3.23Å; K232-D235 PolarHBondContact O-N 2.74Å; D235-L237 PolarHBondContact O-N 3.23Å; D235-V238 PolarHBondContact O-N 2.98Å; D235-D239 WeakPolarHBondContact O-CB 3.42Å; D235-D239 PolarHBondContact O-N 3.01Å; D235-K262 VanDerWaalsContact CG-NZ 3.33Å; D235-K262 IonicContact OD1-NZ 3.43Å; D235-K262 PolarHBondContact OD1-NZ 3.04Å; D235-K262 IonicContact OD2-NZ 2.67Å; D235-K262 PolarHBondContact OD2-NZ 3.04Å
236	Y	98.6	Very high	96.9	Very high	49 Å²	49	43.8 Å²	43.8	19%	0.192	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.6	177.5	-126.7	0	0	0	112.7	Q133 K232 M233 F234 V238 D239 D240 M410 V411 T414	Q133-Y236 HydrophobicContact CG-CD1 3.6Å; Q133-Y236 HydrophobicContact CG-CE1 3.76Å; K232-Y236 WeakPolarHBondContact O-CB 3.37Å; K232-Y236 PolarHBondContact O-N 3.37Å; M233-Y236 PolarHBondContact O-N 3.25Å; M233-Y236 HydrophobicContact SD-CD1 4.05Å; F234-Y236 VanDerWaalsContact C-N 3.32Å; F234-Y236 PolarHBondContact O-N 3.38Å; Y236-V238 VanDerWaalsContact C-N 3.33Å; Y236-V238 PolarHBondContact O-N 3.12Å; Y236-D239 PolarHBondContact O-N 2.91Å; Y236-D240 HydrophobicContact CD2-CB 3.97Å; Y236-D240 HydrophobicContact CE2-CB 3.56Å; Y236-D240 WeakPolarHBondContact CE2-OD1 3.03Å; Y236-D240 WeakPolarHBondContact O-CB 3.09Å; Y236-D240 PolarHBondContact O-N 2.91Å; Y236-D240 PolarHBondContact OH-OD1 3.11Å; Y236-D240 PolarHBondContact OH-OD2 3.22Å; Y236-M410 HydrophobicContact CD1-CB 3.46Å; Y236-M410 VanDerWaalsContact CD1-CB 3.46Å; Y236-M410 HydrophobicContact CD2-CB 4.42Å; Y236-M410 HydrophobicContact CE1-CB 4.22Å; Y236-M410 HydrophobicContact CG-CB 3.59Å; Y236-M410 HydrophobicContact CG-CG 4.49Å; Y236-V411 HydrophobicContact CE1-CG2 4.48Å; Y236-V411 HydrophobicContact CE2-CG2 3.93Å; Y236-T414 WeakPolarHBondContact CE1-OG1 3.36Å
237	L	98.8	Very high	96.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57	-46.7	177.3	-175.7	166.2	0	0	0	110.8	I128 T131 Q133 F134 L201 M233 F234 D235 N241 L243	I128-L237 HydrophobicContact CG1-CD2 4.47Å; I128-L237 HydrophobicContact CG2-CD1 4.08Å; I128-L237 HydrophobicContact CG2-CD2 4.11Å; T131-L237 HydrophobicContact CG2-CD2 4.01Å; T131-L237 HydrophobicContact CG2-CG 4.16Å; T131-L237 WeakPolarHBondContact OG1-CD1 3.06Å; Q133-L237 HydrophobicContact CB-CB 3.8Å; Q133-L237 HydrophobicContact CB-CD1 3.82Å; Q133-L237 HydrophobicContact CB-CG 3.87Å; Q133-L237 HydrophobicContact CG-CB 3.98Å; Q133-L237 HydrophobicContact CG-CG 4.41Å; F134-L237 HydrophobicContact CB-CD1 4.24Å; L201-L237 HydrophobicContact CD1-CD1 4.04Å; L201-L237 HydrophobicContact CD2-CD1 4.33Å; M233-L237 WeakPolarHBondContact O-CB 3.13Å; M233-L237 PolarHBondContact O-N 3.49Å; F234-L237 PolarHBondContact O-N 3.41Å; D235-L237 PolarHBondContact O-N 3.23Å; L237-N241 WeakPolarHBondContact O-CB 3.2Å; L237-N241 PolarHBondContact O-N 3.21Å; L237-N241 PolarHBondContact O-ND2 2.92Å; L237-L243 HydrophobicContact CD2-CD1 3.43Å; L237-L243 VanDerWaalsContact CD2-CD1 3.43Å
238	V	98.5	Very high	96.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-42.7	-179.2	169.1	0	0	0	0	111.6	F234 D235 Y236 H242 L243 R244 M247 L258	F234-V238 HydrophobicContact CD2-CG2 4.28Å; F234-V238 HydrophobicContact CE1-CG2 4.27Å; F234-V238 HydrophobicContact CE2-CG2 3.83Å; F234-V238 HydrophobicContact CZ-CG2 3.83Å; F234-V238 WeakPolarHBondContact O-CG2 3.13Å; F234-V238 PolarHBondContact O-N 2.67Å; D235-V238 PolarHBondContact O-N 2.98Å; Y236-V238 VanDerWaalsContact C-N 3.33Å; Y236-V238 PolarHBondContact O-N 3.12Å; V238-H242 PolarHBondContact O-N 2.73Å; V238-L243 HydrophobicContact CG1-CB 4.37Å; V238-L243 PolarHBondContact O-N 2.92Å; V238-R244 HydrophobicContact CG1-CG 3.6Å; V238-M247 HydrophobicContact CG1-SD 4.23Å; V238-M247 HydrophobicContact CG2-SD 4.23Å; V238-L258 HydrophobicContact CG2-CD2 4.37Å
239	D	97.9	Very high	95.8	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-76.3	-46.3	-175.2	-69.5	-21.4	0	0	0	112.3	D235 Y236 N241 H242 R244	D235-D239 WeakPolarHBondContact O-CB 3.42Å; D235-D239 PolarHBondContact O-N 3.01Å; Y236-D239 PolarHBondContact O-N 2.91Å; D239-N241 VanDerWaalsContact C-N 3.32Å; D239-N241 PolarHBondContact O-N 3.45Å; D239-H242 PolarHBondContact O-N 2.51Å; D239-R244 IonicContact OD1-CZ 3.74Å; D239-R244 VanDerWaalsContact OD1-CZ 3.23Å; D239-R244 IonicContact OD1-NE 3.72Å; D239-R244 PolarHBondContact OD1-NE 2.82Å; D239-R244 IonicContact OD1-NH2 2.77Å; D239-R244 PolarHBondContact OD1-NH2 3.05Å; D239-R244 IonicContact OD2-NH2 3.77Å
240	D	98.2	Very high	95.1	Very high	75 Å²	75	48.5 Å²	48.5	40%	0.401	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-33.1	-177.6	-168.3	72.3	0	0	0	112.5	Q133 Y236	Q133-D240 PolarHBondContact NE2-OD2 3.05Å; Y236-D240 HydrophobicContact CD2-CB 3.97Å; Y236-D240 HydrophobicContact CE2-CB 3.56Å; Y236-D240 WeakPolarHBondContact CE2-OD1 3.03Å; Y236-D240 WeakPolarHBondContact O-CB 3.09Å; Y236-D240 PolarHBondContact O-N 2.91Å; Y236-D240 PolarHBondContact OH-OD1 3.11Å; Y236-D240 PolarHBondContact OH-OD2 3.22Å
241	N	98.2	Very high	94.1	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.262	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.3	180	-58.5	-88.4	0	0	0	112.8	T131 Q133 L237 D239 L243	T131-N241 HydrophobicContact CG2-CB 4.06Å; T131-N241 VanDerWaalsContact CG2-CG 3.48Å; Q133-N241 PolarHBondContact OE1-ND2 2.89Å; L237-N241 WeakPolarHBondContact O-CB 3.2Å; L237-N241 PolarHBondContact O-N 3.21Å; L237-N241 PolarHBondContact O-ND2 2.92Å; D239-N241 VanDerWaalsContact C-N 3.32Å; D239-N241 PolarHBondContact O-N 3.45Å; N241-L243 VanDerWaalsContact C-N 3.29Å; N241-L243 HydrophobicContact CB-CD1 4.45Å; N241-L243 HydrophobicContact CB-CD2 4.2Å; N241-L243 HydrophobicContact CB-CG 3.94Å; N241-L243 PolarHBondContact O-N 3.24Å
242	H	97.3	Very high	93.6	Very high	149 Å²	149	48.2 Å²	48.2	69%	0.69	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	43.9	179.7	-57.3	-54.8	0	0	0	113.8	V238 D239 R244 P245	V238-H242 PolarHBondContact O-N 2.73Å; D239-H242 PolarHBondContact O-N 2.51Å; H242-R244 PolarHBondContact O-N 2.78Å; H242-P245 WeakPolarHBondContact O-CD 3.43Å
243	L	96.5	Very high	93.1	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-81	-13.1	-173.9	-62.8	-175.2	0	0	0	114	K127 I128 L237 V238 N241 V246 M247	K127-L243 HydrophobicContact CB-CD2 4.4Å; I128-L243 HydrophobicContact CG1-CD1 3.84Å; L237-L243 HydrophobicContact CD2-CD1 3.43Å; L237-L243 VanDerWaalsContact CD2-CD1 3.43Å; V238-L243 HydrophobicContact CG1-CB 4.37Å; V238-L243 PolarHBondContact O-N 2.92Å; N241-L243 VanDerWaalsContact C-N 3.29Å; N241-L243 HydrophobicContact CB-CD1 4.45Å; N241-L243 HydrophobicContact CB-CD2 4.2Å; N241-L243 HydrophobicContact CB-CG 3.94Å; N241-L243 PolarHBondContact O-N 3.24Å; L243-V246 CarbonylContact O-C 3.6Å; L243-V246 WeakPolarHBondContact O-CB 3.43Å; L243-V246 PolarHBondContact O-N 3.03Å; L243-V246 VanDerWaalsContact O-N 3.11Å; L243-M247 HydrophobicContact CB-SD 4.49Å; L243-M247 VanDerWaalsContact O-CG 3.27Å; L243-M247 WeakPolarHBondContact O-CG 3.49Å; L243-M247 PolarHBondContact O-N 3.26Å
244	R	97.1	Very high	92.9	Very high	90 Å²	90	48.4 Å²	48.4	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-56.1	-51.7	-177.8	-61.4	175.9	179.3	-91.6	-4.5	113.1	V238 D239 H242 V246 M247 E248 L254	V238-R244 HydrophobicContact CG1-CG 3.6Å; D239-R244 IonicContact OD1-CZ 3.74Å; D239-R244 VanDerWaalsContact OD1-CZ 3.23Å; D239-R244 IonicContact OD1-NE 3.72Å; D239-R244 PolarHBondContact OD1-NE 2.82Å; D239-R244 IonicContact OD1-NH2 2.77Å; D239-R244 PolarHBondContact OD1-NH2 3.05Å; D239-R244 IonicContact OD2-NH2 3.77Å; H242-R244 PolarHBondContact O-N 2.78Å; R244-V246 PolarHBondContact O-N 3.4Å; R244-M247 PolarHBondContact O-N 3.38Å; R244-E248 WeakPolarHBondContact O-CG 3.2Å; R244-E248 PolarHBondContact O-N 3.2Å; R244-E248 VanDerWaalsContact O-N 3.07Å; R244-L254 HydrophobicContact CB-CD1 3.74Å; R244-L254 HydrophobicContact CG-CD1 3.98Å
245	P	92.5	Very high	92.7	Very high	82 Å²	82	52.6 Å²	52.6	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-32.7	177.7	-20.4	34.8	0	0	0	112.4	H242 E248 E249	H242-P245 WeakPolarHBondContact O-CD 3.43Å; P245-E248 PolarHBondContact O-N 3.42Å; P245-E249 WeakPolarHBondContact O-CB 3.32Å; P245-E249 PolarHBondContact O-N 3.31Å
246	V	89	Confident	92.6	Very high	30 Å²	30	54.1 Å²	54.1	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-40.2	177.8	-177.1	0	0	0	0	111	L124 K127 L243 R244 E249 H250	L124-V246 HydrophobicContact CD1-CG1 3.98Å; K127-V246 HydrophobicContact CD-CG1 3.47Å; K127-V246 VanDerWaalsContact CD-CG1 3.47Å; L243-V246 CarbonylContact O-C 3.6Å; L243-V246 WeakPolarHBondContact O-CB 3.43Å; L243-V246 PolarHBondContact O-N 3.03Å; L243-V246 VanDerWaalsContact O-N 3.11Å; R244-V246 PolarHBondContact O-N 3.4Å; V246-E249 PolarHBondContact O-N 3.3Å; V246-H250 PolarHBondContact O-N 2.75Å; V246-H250 VanDerWaalsContact O-N 3.07Å; V246-H250 PolarHBondContact O-ND1 2.99Å
247	M	90.9	Very high	92.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-45.1	174.8	-70	172.4	93	0	0	110.5	L124 I194 F234 V238 L243 R244 H250 G251 L252 L258 I261	L124-M247 HydrophobicContact CD1-CG 3.93Å; L124-M247 HydrophobicContact CD2-CG 4.36Å; I194-M247 HydrophobicContact CD1-CE 4.34Å; F234-M247 HydrophobicContact CZ-CE 4.32Å; V238-M247 HydrophobicContact CG1-SD 4.23Å; V238-M247 HydrophobicContact CG2-SD 4.23Å; L243-M247 HydrophobicContact CB-SD 4.49Å; L243-M247 VanDerWaalsContact O-CG 3.27Å; L243-M247 WeakPolarHBondContact O-CG 3.49Å; L243-M247 PolarHBondContact O-N 3.26Å; R244-M247 PolarHBondContact O-N 3.38Å; M247-H250 CarbonylContact O-C 3.48Å; M247-H250 PolarHBondContact O-N 3.44Å; M247-H250 VanDerWaalsContact O-N 3.13Å; M247-G251 PolarHBondContact O-N 3.43Å; M247-L252 HydrophobicContact CB-CB 4.19Å; M247-L252 HydrophobicContact CB-CD2 4.13Å; M247-L252 HydrophobicContact CE-CD2 3.57Å; M247-L252 HydrophobicContact CG-CD2 4.33Å; M247-L252 WeakPolarHBondContact O-CB 3.45Å; M247-L252 PolarHBondContact O-N 3.44Å; M247-L258 HydrophobicContact CE-CD2 3.82Å; M247-L258 HydrophobicContact SD-CD2 4.2Å; M247-I261 HydrophobicContact CE-CD1 4.11Å
248	E	88.3	Confident	92.4	Very high	103 Å²	103	52 Å²	52	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-42.8	175.8	-68.5	173.1	159.8	0	0	112.1	R244 P245 H250 G251 L254	R244-E248 WeakPolarHBondContact O-CG 3.2Å; R244-E248 PolarHBondContact O-N 3.2Å; R244-E248 VanDerWaalsContact O-N 3.07Å; P245-E248 PolarHBondContact O-N 3.42Å; E248-H250 PolarHBondContact O-N 2.91Å; E248-G251 PolarHBondContact O-N 3.48Å; E248-L254 HydrophobicContact CG-CD1 4.19Å; E248-L254 HydrophobicContact CG-CG 4.12Å
249	E	82.8	Confident	92.4	Very high	105 Å²	105	54.3 Å²	54.3	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-32.6	173.3	-178.5	179.8	-167.6	0	0	111.8	M38 R72 P245 V246 G251	M38-E249 WeakPolarHBondContact CE-O 3.46Å; R72-E249 PolarHBondContact NH1-O 3.32Å; P245-E249 WeakPolarHBondContact O-CB 3.32Å; P245-E249 PolarHBondContact O-N 3.31Å; V246-E249 PolarHBondContact O-N 3.3Å; E249-G251 VanDerWaalsContact C-N 3.31Å
250	H	81.4	Confident	92.4	Very high	28 Å²	28	50.6 Å²	50.6	13%	0.13	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.3	176.4	-70.7	86.5	0	0	0	114.1	R72 H122 L124 V246 M247 E248	R72-H250 VanDerWaalsContact NH2-C 3.33Å; R72-H250 PolarHBondContact NH2-O 3.07Å; H122-H250 AromaticContact CE1-CD2 3.3Å; H122-H250 PolarHBondContact CE1-CD2 2.93Å; H122-H250 AromaticContact CE1-CG 3.98Å; H122-H250 AromaticContact NE2-CD2 3.93Å; L124-H250 HydrophobicContact CB-CB 4.41Å; L124-H250 HydrophobicContact CD2-CB 4.03Å; V246-H250 PolarHBondContact O-N 2.75Å; V246-H250 VanDerWaalsContact O-N 3.07Å; V246-H250 PolarHBondContact O-ND1 2.99Å; M247-H250 CarbonylContact O-C 3.48Å; M247-H250 PolarHBondContact O-N 3.44Å; M247-H250 VanDerWaalsContact O-N 3.13Å; E248-H250 PolarHBondContact O-N 2.91Å
251	G	77.9	Confident	92.4	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	17.9	172.1	0	0	0	0	0	115	M247 E248 E249	M247-G251 PolarHBondContact O-N 3.43Å; E248-G251 PolarHBondContact O-N 3.48Å; E249-G251 VanDerWaalsContact C-N 3.31Å
252	L	86.9	Confident	92.4	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.239	C	C	.	.			trans	-80.4	152.6	166.8	-79.4	65.5	0	0	0	110	L124 L190 I194 M247 L254 D257	L124-L252 HydrophobicContact CD2-CD1 3.91Å; L124-L252 HydrophobicContact CD2-CD2 4.3Å; L190-L252 HydrophobicContact CB-CD1 4.32Å; L190-L252 HydrophobicContact CD1-CD1 4.14Å; I194-L252 HydrophobicContact CD1-CD2 3.94Å; M247-L252 HydrophobicContact CB-CB 4.19Å; M247-L252 HydrophobicContact CB-CD2 4.13Å; M247-L252 HydrophobicContact CE-CD2 3.57Å; M247-L252 HydrophobicContact CG-CD2 4.33Å; M247-L252 WeakPolarHBondContact O-CB 3.45Å; M247-L252 PolarHBondContact O-N 3.44Å; L252-L254 HydrophobicContact CB-CD2 4.44Å; L252-D257 WeakPolarHBondContact CA-OD2 3.46Å; L252-D257 HydrophobicContact CB-CB 4.3Å; L252-D257 VanDerWaalsContact CB-OD2 3.24Å; L252-D257 WeakPolarHBondContact CB-OD2 3.47Å; L252-D257 HydrophobicContact CD2-CB 4.26Å; L252-D257 HydrophobicContact CG-CB 4.33Å; L252-D257 WeakPolarHBondContact CG-OD2 3.37Å
253	V	89.3	Confident	92.4	Very high	72 Å²	72	39.2 Å²	39.2	44%	0.436	21%	0.207	S	C	.	.			trans	-117.8	118.4	177.1	-175.8	0	0	0	0	108.8	E256 D257	V253-E256 PolarHBondContact O-N 3.4Å; V253-D257 PolarHBondContact N-OD2 3.46Å; V253-D257 WeakPolarHBondContact O-CB 3.07Å; V253-D257 PolarHBondContact O-N 3.34Å
254	L	93.8	Very high	92.4	Very high	31 Å²	31	38.9 Å²	38.9	16%	0.162	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	145.6	-176.3	-51.8	-170.4	0	0	0	110.7	R244 E248 L252 D257 L258	R244-L254 HydrophobicContact CB-CD1 3.74Å; R244-L254 HydrophobicContact CG-CD1 3.98Å; E248-L254 HydrophobicContact CG-CD1 4.19Å; E248-L254 HydrophobicContact CG-CG 4.12Å; L252-L254 HydrophobicContact CB-CD2 4.44Å; L254-D257 HydrophobicContact CD2-CB 4.2Å; L254-L258 HydrophobicContact CD1-CD1 4.32Å; L254-L258 HydrophobicContact CD2-CD1 4.21Å; L254-L258 HydrophobicContact CD2-CD2 4.5Å; L254-L258 HydrophobicContact CD2-CG 3.85Å
255	P	95	Very high	92.4	Very high	89 Å²	89	34.9 Å²	34.9	58%	0.578	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.6	-6.6	3.7	34.4	-36	0	0	0	115.1	D257 L258 D259	P255-D257 VanDerWaalsContact C-N 3.29Å; P255-D257 PolarHBondContact O-N 3.36Å; P255-D257 VanDerWaalsContact O-N 3.15Å; P255-L258 WeakPolarHBondContact O-CB 3.24Å; P255-L258 PolarHBondContact O-N 3.19Å; P255-D259 PolarHBondContact O-N 3.19Å; P255-D259 VanDerWaalsContact O-N 3.11Å
256	E	95.3	Very high	92.4	Very high	76 Å²	76	32.2 Å²	32.2	36%	0.355	18%	0.175	S	C	.	.	H	α-helix	trans	-50	-44.3	-173	-174.9	-171.5	-175.9	0	0	113.4	R187 V253 D259 F260 G283 R284	R187-E256 IonicContact CZ-OE2 3.27Å; R187-E256 IonicContact NH1-OE2 2.84Å; R187-E256 PolarHBondContact NH1-OE2 2.8Å; R187-E256 IonicContact NH2-OE1 2.76Å; R187-E256 IonicContact NH2-OE2 3.82Å; R187-E256 PolarHBondContact NH2-OE2 2.76Å; V253-E256 PolarHBondContact O-N 3.4Å; E256-D259 PolarHBondContact O-N 3.12Å; E256-F260 PolarHBondContact O-N 2.8Å; E256-G283 WeakPolarHBondContact CG-O 3.41Å; E256-R284 IonicContact OE1-NH1 3.45Å
257	D	96.7	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72.3	-30	179.7	-74.5	-22	0	0	0	114.4	R187 L252 V253 L254 P255 F260 I261 R284	R187-D257 IonicContact CZ-OD1 2.7Å; R187-D257 IonicContact CZ-OD2 3.7Å; R187-D257 IonicContact NE-OD1 2.74Å; R187-D257 PolarHBondContact NE-OD1 3.49Å; R187-D257 IonicContact NE-OD2 3.09Å; R187-D257 PolarHBondContact NE-OD2 3.25Å; R187-D257 IonicContact NH2-OD1 2.91Å; R187-D257 PolarHBondContact NH2-OD1 3.13Å; R187-D257 IonicContact NH2-OD2 3.19Å; R187-D257 PolarHBondContact NH2-OD2 3.2Å; L252-D257 WeakPolarHBondContact CA-OD2 3.46Å; L252-D257 HydrophobicContact CB-CB 4.3Å; L252-D257 VanDerWaalsContact CB-OD2 3.24Å; L252-D257 WeakPolarHBondContact CB-OD2 3.47Å; L252-D257 HydrophobicContact CD2-CB 4.26Å; L252-D257 HydrophobicContact CG-CB 4.33Å; L252-D257 WeakPolarHBondContact CG-OD2 3.37Å; V253-D257 PolarHBondContact N-OD2 3.46Å; V253-D257 WeakPolarHBondContact O-CB 3.07Å; V253-D257 PolarHBondContact O-N 3.34Å; L254-D257 HydrophobicContact CD2-CB 4.2Å; P255-D257 VanDerWaalsContact C-N 3.29Å; P255-D257 PolarHBondContact O-N 3.36Å; P255-D257 VanDerWaalsContact O-N 3.15Å; D257-F260 PolarHBondContact O-N 2.94Å; D257-I261 WeakPolarHBondContact O-CB 3.29Å; D257-I261 VanDerWaalsContact O-CD1 3.3Å; D257-I261 WeakPolarHBondContact O-CD1 3.33Å; D257-I261 WeakPolarHBondContact O-CG1 3.33Å; D257-I261 PolarHBondContact O-N 3.13Å; D257-R284 IonicContact OD1-CZ 3.67Å; D257-R284 VanDerWaalsContact OD1-CZ 3.24Å; D257-R284 IonicContact OD1-NH1 3.76Å; D257-R284 PolarHBondContact OD1-NH1 2.97Å; D257-R284 IonicContact OD1-NH2 3.68Å; D257-R284 PolarHBondContact OD1-NH2 3.46Å
258	L	97.7	Very high	92.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-42	173.9	-67.2	169.8	0	0	0	110	F234 V238 M247 L254 P255 F260 I261 K262	F234-L258 HydrophobicContact CE1-CD2 3.67Å; F234-L258 HydrophobicContact CZ-CD2 3.93Å; V238-L258 HydrophobicContact CG2-CD2 4.37Å; M247-L258 HydrophobicContact CE-CD2 3.82Å; M247-L258 HydrophobicContact SD-CD2 4.2Å; L254-L258 HydrophobicContact CD1-CD1 4.32Å; L254-L258 HydrophobicContact CD2-CD1 4.21Å; L254-L258 HydrophobicContact CD2-CD2 4.5Å; L254-L258 HydrophobicContact CD2-CG 3.85Å; P255-L258 WeakPolarHBondContact O-CB 3.24Å; P255-L258 PolarHBondContact O-N 3.19Å; L258-F260 VanDerWaalsContact C-N 3.35Å; L258-I261 PolarHBondContact O-N 2.79Å; L258-K262 WeakPolarHBondContact O-CB 3.49Å; L258-K262 VanDerWaalsContact O-CG 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.5Å; L258-K262 PolarHBondContact O-N 3.05Å
259	D	97.2	Very high	91.7	Very high	49 Å²	49	31.9 Å²	31.9	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-61.9	-45.3	175	-68.9	-23.2	0	0	0	110.6	P255 E256 I261 K262 E263	P255-D259 PolarHBondContact O-N 3.19Å; P255-D259 VanDerWaalsContact O-N 3.11Å; E256-D259 PolarHBondContact O-N 3.12Å; D259-I261 PolarHBondContact O-N 3.49Å; D259-K262 PolarHBondContact O-N 2.48Å; D259-E263 VanDerWaalsContact O-CB 3.28Å; D259-E263 WeakPolarHBondContact O-CB 3.4Å; D259-E263 WeakPolarHBondContact O-CG 3.39Å; D259-E263 PolarHBondContact O-N 2.88Å
260	F	98	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-42.8	177.1	-179.9	-137.6	0	0	0	113.3	C191 V192 E256 D257 L258 Q264 R284 L291 Y292	C191-F260 HydrophobicContact CB-CD1 3.46Å; C191-F260 VanDerWaalsContact CB-CD1 3.46Å; C191-F260 HydrophobicContact CB-CE1 3.62Å; V192-F260 HydrophobicContact CG2-CE1 4.28Å; V192-F260 HydrophobicContact CG2-CZ 4.16Å; E256-F260 PolarHBondContact O-N 2.8Å; D257-F260 PolarHBondContact O-N 2.94Å; L258-F260 VanDerWaalsContact C-N 3.35Å; F260-Q264 HydrophobicContact CD2-CG 4.19Å; F260-Q264 HydrophobicContact CE2-CG 3.8Å; F260-Q264 HydrophobicContact CZ-CG 4.26Å; F260-Q264 VanDerWaalsContact CZ-NE2 3.35Å; F260-Q264 WeakPolarHBondContact O-CG 3.47Å; F260-Q264 PolarHBondContact O-N 3.5Å; F260-Q264 PolarHBondContact O-NE2 3.23Å; F260-R284 HydrophobicContact CB-CG 4.49Å; F260-R284 HydrophobicContact CD1-CG 3.94Å; F260-R284 VanDerWaalsContact CD1-CZ 3.48Å; F260-R284 HydrophobicContact CD2-CB 4.28Å; F260-R284 HydrophobicContact CD2-CG 3.57Å; F260-R284 HydrophobicContact CE1-CG 4.02Å; F260-R284 HydrophobicContact CE2-CB 4.33Å; F260-R284 HydrophobicContact CE2-CG 3.66Å; F260-R284 HydrophobicContact CG-CG 3.74Å; F260-R284 HydrophobicContact CZ-CG 3.89Å; F260-L291 HydrophobicContact CE1-CD1 4.36Å; F260-L291 HydrophobicContact CE2-CB 4.25Å; F260-L291 HydrophobicContact CZ-CB 3.8Å; F260-L291 HydrophobicContact CZ-CD1 3.79Å; F260-L291 HydrophobicContact CZ-CG 4.44Å; F260-Y292 AromaticContact CD2-CE1 3.64Å; F260-Y292 HydrophobicContact CD2-CE1 3.64Å; F260-Y292 HydrophobicContact CD2-CE2 4.22Å; F260-Y292 AromaticContact CD2-CZ 3.5Å; F260-Y292 VanDerWaalsContact CD2-CZ 3.5Å; F260-Y292 WeakPolarHBondContact CD2-OH 3.34Å; F260-Y292 HydrophobicContact CE2-CD1 4.23Å; F260-Y292 HydrophobicContact CE2-CD2 4.39Å; F260-Y292 AromaticContact CE2-CE1 3.75Å; F260-Y292 HydrophobicContact CE2-CE1 3.75Å; F260-Y292 AromaticContact CE2-CE2 3.92Å; F260-Y292 HydrophobicContact CE2-CE2 3.92Å; F260-Y292 AromaticContact CE2-CZ 3.62Å
261	I	98.6	Very high	89.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-48.3	176.9	-71.2	160.4	0	0	0	110.3	C191 I194 A195 F234 M247 D257 L258 D259 E263 Q264 I265	C191-I261 HydrophobicContact CB-CD1 4.49Å; C191-I261 HydrophobicContact CB-CG1 4.03Å; I194-I261 HydrophobicContact CB-CD1 4.01Å; I194-I261 HydrophobicContact CB-CG1 4.33Å; I194-I261 HydrophobicContact CD1-CD1 4.08Å; I194-I261 HydrophobicContact CG2-CD1 3.78Å; I194-I261 HydrophobicContact CG2-CG1 4.3Å; I194-I261 HydrophobicContact CG2-CG2 4Å; A195-I261 HydrophobicContact CB-CG2 4.2Å; F234-I261 HydrophobicContact CD1-CG2 4.28Å; F234-I261 HydrophobicContact CE1-CB 4.25Å; F234-I261 HydrophobicContact CE1-CG2 3.71Å; F234-I261 HydrophobicContact CE2-CG2 4.31Å; F234-I261 HydrophobicContact CZ-CB 4.4Å; F234-I261 HydrophobicContact CZ-CD1 4.04Å; F234-I261 HydrophobicContact CZ-CG2 3.73Å; M247-I261 HydrophobicContact CE-CD1 4.11Å; D257-I261 WeakPolarHBondContact O-CB 3.29Å; D257-I261 VanDerWaalsContact O-CD1 3.3Å; D257-I261 WeakPolarHBondContact O-CD1 3.33Å; D257-I261 WeakPolarHBondContact O-CG1 3.33Å; D257-I261 PolarHBondContact O-N 3.13Å; L258-I261 PolarHBondContact O-N 2.79Å; D259-I261 PolarHBondContact O-N 3.49Å; I261-E263 PolarHBondContact O-N 3.2Å; I261-Q264 PolarHBondContact O-N 3.29Å; I261-I265 HydrophobicContact CG2-CD1 4.3Å; I261-I265 WeakPolarHBondContact O-CG1 3.37Å; I261-I265 PolarHBondContact O-N 2.95Å
262	K	97.9	Very high	87.9	Confident	31 Å²	31	38.7 Å²	38.7	14%	0.135	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-39.9	-178.8	-71.3	-170.7	-71.2	-161.3	0	112.4	L231 F234 D235 L258 D259 Q264 I265 A266	L231-K262 HydrophobicContact CB-CD 4.43Å; L231-K262 HydrophobicContact CD1-CB 4.37Å; L231-K262 HydrophobicContact CD2-CB 3.79Å; L231-K262 HydrophobicContact CD2-CG 3.97Å; L231-K262 WeakPolarHBondContact CD2-O 3.26Å; F234-K262 HydrophobicContact CD1-CD 4.46Å; F234-K262 HydrophobicContact CD1-CG 4.02Å; F234-K262 HydrophobicContact CE1-CG 4.44Å; D235-K262 VanDerWaalsContact CG-NZ 3.33Å; D235-K262 IonicContact OD1-NZ 3.43Å; D235-K262 PolarHBondContact OD1-NZ 3.04Å; D235-K262 IonicContact OD2-NZ 2.67Å; D235-K262 PolarHBondContact OD2-NZ 3.04Å; L258-K262 WeakPolarHBondContact O-CB 3.49Å; L258-K262 VanDerWaalsContact O-CG 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.5Å; L258-K262 PolarHBondContact O-N 3.05Å; D259-K262 PolarHBondContact O-N 2.48Å; K262-Q264 VanDerWaalsContact C-N 3.3Å; K262-Q264 PolarHBondContact O-N 3.39Å; K262-I265 PolarHBondContact O-N 3.02Å; K262-I265 VanDerWaalsContact O-N 3.17Å; K262-A266 PolarHBondContact O-N 3.18Å
263	E	97.3	Very high	85.5	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-31	177.2	-75.7	171.6	166.8	0	0	113.3	D259 I261 I265 G267 T269 Y281 K282 G283 Y292	D259-E263 VanDerWaalsContact O-CB 3.28Å; D259-E263 WeakPolarHBondContact O-CB 3.4Å; D259-E263 WeakPolarHBondContact O-CG 3.39Å; D259-E263 PolarHBondContact O-N 2.88Å; I261-E263 PolarHBondContact O-N 3.2Å; E263-I265 VanDerWaalsContact C-N 3.32Å; E263-G267 WeakPolarHBondContact CA-O 3.37Å; E263-G267 CarbonylContact O-C 3.11Å; E263-G267 WeakPolarHBondContact O-CA 3.45Å; E263-G267 PolarHBondContact O-N 3.01Å; E263-T269 HydrophobicContact CG-CG2 4.35Å; E263-Y281 HydrophobicContact CB-CD1 3.9Å; E263-Y281 HydrophobicContact CB-CE1 4.29Å; E263-Y281 HydrophobicContact CG-CD1 4.07Å; E263-K282 PolarHBondContact OE1-N 3.5Å; E263-G283 PolarHBondContact OE1-N 2.94Å; E263-G283 PolarHBondContact OE2-N 3.47Å; E263-Y292 HydrophobicContact CB-CD1 4.36Å; E263-Y292 HydrophobicContact CB-CE1 3.61Å; E263-Y292 WeakPolarHBondContact OE2-CE1 3.11Å; E263-Y292 PolarHBondContact OE2-OH 2.65Å
264	Q	97.8	Very high	83.2	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-28.8	173.7	-76.2	177.2	90.2	0	0	112.8	A195 F260 I261 K262 Y292 A296	A195-Q264 HydrophobicContact CB-CB 3.66Å; A195-Q264 HydrophobicContact CB-CG 4.38Å; F260-Q264 HydrophobicContact CD2-CG 4.19Å; F260-Q264 HydrophobicContact CE2-CG 3.8Å; F260-Q264 HydrophobicContact CZ-CG 4.26Å; F260-Q264 VanDerWaalsContact CZ-NE2 3.35Å; F260-Q264 WeakPolarHBondContact O-CG 3.47Å; F260-Q264 PolarHBondContact O-N 3.5Å; F260-Q264 PolarHBondContact O-NE2 3.23Å; I261-Q264 PolarHBondContact O-N 3.29Å; K262-Q264 VanDerWaalsContact C-N 3.3Å; K262-Q264 PolarHBondContact O-N 3.39Å; Q264-Y292 HydrophobicContact CG-CD1 3.92Å; Q264-Y292 HydrophobicContact CG-CE1 4.26Å; Q264-A296 WeakPolarHBondContact O-CB 3.46Å
265	I	96.4	Very high	80.6	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-81.3	-55.6	179.3	-62.6	168.7	0	0	0	110.2	A195 C198 H199 L231 I261 K262 E263	A195-I265 HydrophobicContact CB-CG1 4.37Å; C198-I265 HydrophobicContact CB-CD1 4.03Å; H199-I265 HydrophobicContact CB-CG1 4.24Å; H199-I265 HydrophobicContact CB-CG2 4.35Å; L231-I265 HydrophobicContact CD2-CB 3.88Å; L231-I265 HydrophobicContact CD2-CD1 4.39Å; L231-I265 HydrophobicContact CD2-CG2 3.95Å; I261-I265 HydrophobicContact CG2-CD1 4.3Å; I261-I265 WeakPolarHBondContact O-CG1 3.37Å; I261-I265 PolarHBondContact O-N 2.95Å; K262-I265 PolarHBondContact O-N 3.02Å; K262-I265 VanDerWaalsContact O-N 3.17Å; E263-I265 VanDerWaalsContact C-N 3.32Å
266	A	92.9	Very high	78.2	Confident	25 Å²	25	52.4 Å²	52.4	21%	0.207	31%	0.31	C	S	.	.	H	α-helix	trans	-103.3	-5	-170	0	0	0	0	0	114.2	L231 K262 K298	L231-A266 HydrophobicContact CD1-CB 3.63Å; L231-A266 HydrophobicContact CD2-CB 3.89Å; L231-A266 HydrophobicContact CG-CB 3.89Å; K262-A266 PolarHBondContact O-N 3.18Å; A266-K298 PolarHBondContact O-NZ 3.5Å
267	G	92.4	Very high	76.2	Confident	4 Å²	4	59 Å²	59	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	79.8	-168.2	-167.3	0	0	0	0	0	113	E263 T269	E263-G267 WeakPolarHBondContact CA-O 3.37Å; E263-G267 CarbonylContact O-C 3.11Å; E263-G267 WeakPolarHBondContact O-CA 3.45Å; E263-G267 PolarHBondContact O-N 3.01Å; G267-T269 PolarHBondContact O-N 3.02Å
268	P	87.6	Confident	75.3	Confident	52 Å²	52	67.5 Å²	67.5	34%	0.338	38%	0.378	S	S	.	.			trans	-55.4	125.8	-178.1	-23	32.4	0	0	0	111.9	P280 Y281	P268-P280 HydrophobicContact CB-CB 4.13Å; P268-P280 HydrophobicContact CG-CB 3.97Å; P268-P280 HydrophobicContact CG-CG 4.06Å; P268-Y281 HydrophobicContact CB-CE1 4.44Å; P268-Y281 HydrophobicContact CG-CD1 4.11Å; P268-Y281 HydrophobicContact CG-CE1 3.64Å; P268-Y281 HydrophobicContact CG-CE2 4.31Å
269	T	72.3	Confident	74.8	Confident	70 Å²	70	70.3 Å²	70.3	43%	0.429	39%	0.388	S	S	.	.	S	Bend	trans	-81.6	-21	-175.1	47.2	0	0	0	0	113.3	L231 E263 G267	L231-T269 HydrophobicContact CD1-CG2 4.38Å; E263-T269 HydrophobicContact CG-CG2 4.35Å; G267-T269 PolarHBondContact O-N 3.02Å
270	E	65.8	Low	74.5	Confident	117 Å²	117	70.2 Å²	70.2	55%	0.547	39%	0.39	S	S	.	.	S	Bend	trans	-117.6	131.7	173.6	-75.4	178.8	-161.8	0	0	111.1	S272 K282	E270-S272 PolarHBondContact O-N 3.29Å; E270-K282 IonicContact OE1-NZ 2.93Å; E270-K282 PolarHBondContact OE1-NZ 3.38Å; E270-K282 WeakPolarHBondContact OE2-CE 3.2Å; E270-K282 IonicContact OE2-NZ 3.92Å; E270-K282 PolarHBondContact OE2-NZ 3.28Å
271	S	50.2	Low	74.2	Confident	106 Å²	106	72.6 Å²	72.6	74%	0.741	40%	0.4	S	S	*	.			trans	-67.4	97.8	169	58.6	0	0	0	0	108.5	S273	S271-S273 WeakPolarHBondContact CB-OG 3.4Å; S271-S273 PolarHBondContact O-N 3.47Å; S271-S273 PolarHBondContact O-OG 3.25Å
272	S	46.3	Very low	73.9	Confident	68 Å²	68	78 Å²	78	48%	0.476	42%	0.423	S	S	.	.			trans	-71.4	66.4	166.6	13.9	0	0	0	0	108.8	E270 G274	E270-S272 PolarHBondContact O-N 3.29Å; S272-G274 PolarHBondContact O-N 3.42Å
273	S	37.6	Very low	73.7	Confident	111 Å²	111	76.5 Å²	76.5	78%	0.776	42%	0.417	S	S	*	.			trans	-76.9	51.4	174.8	-49.2	0	0	0	0	110.4	S271	S271-S273 WeakPolarHBondContact CB-OG 3.4Å; S271-S273 PolarHBondContact O-N 3.47Å; S271-S273 PolarHBondContact O-OG 3.25Å
274	G	40.5	Very low	73.6	Confident	54 Å²	54	77 Å²	77	56%	0.557	42%	0.418	S	S	*	.	S	Bend	trans	-121.3	115.3	174.7	0	0	0	0	0	108.9	S272 G276	S272-G274 PolarHBondContact O-N 3.42Å; G274-G276 PolarHBondContact O-N 2.95Å
275	R	39	Very low	73.4	Confident	268 Å²	268	79.9 Å²	79.9	100%	1.011	44%	0.439	S	S	*	.	S	Bend	trans	-53.5	111.6	176.4	-71.6	177.3	175.8	178.1	-1.6	110.3
276	G	44	Very low	73.3	Confident	54 Å²	54	83.9 Å²	83.9	56%	0.557	46%	0.456	S	S	*	.	S	Bend	trans	140.2	120.3	177.8	0	0	0	0	0	109.5	G274 K278	G274-G276 PolarHBondContact O-N 2.95Å; G276-K278 VanDerWaalsContact C-N 3.3Å; G276-K278 PolarHBondContact O-N 3.39Å
277	E	54.4	Low	73.2	Confident	214 Å²	214	86.4 Å²	86.4	100%	1	47%	0.466	S	S	*	.			trans	-47.4	78	-175.7	-65	175.5	151.7	0	0	114.5
278	K	76.5	Confident	73.3	Confident	178 Å²	178	87.6 Å²	87.6	77%	0.774	47%	0.47	S	S	*	.			trans	-102.3	130	175.8	-79.3	-176.2	176.3	-178.8	0	109.6	G276	G276-K278 VanDerWaalsContact C-N 3.3Å; G276-K278 PolarHBondContact O-N 3.39Å
279	W	88.6	Confident	73.7	Confident	63 Å²	63	85.5 Å²	85.5	24%	0.239	46%	0.456	C	S	.	.			trans	-47.5	120.8	169.3	175.9	-109.8	0	0	0	109.9	Y281 R284 K286 Y292	W279-Y281 VanDerWaalsContact C-N 3.33Å; W279-Y281 HydrophobicContact CD2-CD2 4.27Å; W279-Y281 AromaticContact CE2-CD2 3.82Å; W279-Y281 HydrophobicContact CE3-CD2 4.35Å; W279-Y281 AromaticContact CH2-CD2 3.47Å; W279-Y281 HydrophobicContact CH2-CD2 3.47Å; W279-Y281 VanDerWaalsContact CH2-CD2 3.47Å; W279-Y281 AromaticContact CH2-CE2 3.97Å; W279-Y281 HydrophobicContact CH2-CE2 3.97Å; W279-Y281 HydrophobicContact CH2-CG 4.42Å; W279-Y281 AromaticContact CZ2-CD2 3.43Å; W279-Y281 HydrophobicContact CZ2-CD2 3.43Å; W279-Y281 VanDerWaalsContact CZ2-CD2 3.43Å; W279-Y281 HydrophobicContact CZ2-CE2 4.35Å; W279-Y281 AromaticContact CZ2-CG 3.98Å; W279-Y281 HydrophobicContact CZ2-CG 3.98Å; W279-Y281 AromaticContact CZ3-CD2 3.97Å; W279-Y281 HydrophobicContact CZ3-CD2 3.97Å; W279-Y281 HydrophobicContact CZ3-CE2 4.35Å; W279-Y281 PolarHBondContact NE1-O 3Å; W279-Y281 VanDerWaalsContact NE1-O 3.16Å; W279-Y281 PolarHBondContact O-N 3.18Å; W279-R284 PolarHBondContact NE1-O 2.85Å; W279-K286 HydrophobicContact CD2-CB 3.88Å; W279-K286 HydrophobicContact CD2-CG 4.28Å; W279-K286 HydrophobicContact CE3-CB 3.96Å; W279-K286 HydrophobicContact CE3-CG 3.83Å; W279-K286 HydrophobicContact CG-CB 4.16Å; W279-K286 HydrophobicContact CZ3-CG 4.32Å; W279-Y292 HydrophobicContact CH2-CD2 4.11Å; W279-Y292 HydrophobicContact CH2-CE2 4.25Å; W279-Y292 HydrophobicContact CZ2-CD2 4.04Å; W279-Y292 AromaticContact CZ2-CE2 3.71Å; W279-Y292 HydrophobicContact CZ2-CE2 3.71Å
280	P	90	Very high	74.9	Confident	48 Å²	48	82.1 Å²	82.1	31%	0.312	44%	0.436	S	S	.	.			trans	-86.1	-5.6	-166	33.6	-36.2	0	0	0	113.9	P268	P268-P280 HydrophobicContact CB-CB 4.13Å; P268-P280 HydrophobicContact CG-CB 3.97Å; P268-P280 HydrophobicContact CG-CG 4.06Å
281	Y	92.6	Very high	76.5	Confident	50 Å²	50	76.6 Å²	76.6	20%	0.196	41%	0.41	C	S	.	.			trans	-102.8	146.2	-175.5	-58.9	-84	0	0	0	111.5	E263 P268 W279 Y292	E263-Y281 HydrophobicContact CB-CD1 3.9Å; E263-Y281 HydrophobicContact CB-CE1 4.29Å; E263-Y281 HydrophobicContact CG-CD1 4.07Å; P268-Y281 HydrophobicContact CB-CE1 4.44Å; P268-Y281 HydrophobicContact CG-CD1 4.11Å; P268-Y281 HydrophobicContact CG-CE1 3.64Å; P268-Y281 HydrophobicContact CG-CE2 4.31Å; W279-Y281 VanDerWaalsContact C-N 3.33Å; W279-Y281 HydrophobicContact CD2-CD2 4.27Å; W279-Y281 AromaticContact CE2-CD2 3.82Å; W279-Y281 HydrophobicContact CE3-CD2 4.35Å; W279-Y281 AromaticContact CH2-CD2 3.47Å; W279-Y281 HydrophobicContact CH2-CD2 3.47Å; W279-Y281 VanDerWaalsContact CH2-CD2 3.47Å; W279-Y281 AromaticContact CH2-CE2 3.97Å; W279-Y281 HydrophobicContact CH2-CE2 3.97Å; W279-Y281 HydrophobicContact CH2-CG 4.42Å; W279-Y281 AromaticContact CZ2-CD2 3.43Å; W279-Y281 HydrophobicContact CZ2-CD2 3.43Å; W279-Y281 VanDerWaalsContact CZ2-CD2 3.43Å; W279-Y281 HydrophobicContact CZ2-CE2 4.35Å; W279-Y281 AromaticContact CZ2-CG 3.98Å; W279-Y281 HydrophobicContact CZ2-CG 3.98Å; W279-Y281 AromaticContact CZ3-CD2 3.97Å; W279-Y281 HydrophobicContact CZ3-CD2 3.97Å; W279-Y281 HydrophobicContact CZ3-CE2 4.35Å; W279-Y281 PolarHBondContact NE1-O 3Å; W279-Y281 VanDerWaalsContact NE1-O 3.16Å; W279-Y281 PolarHBondContact O-N 3.18Å; Y281-Y292 WeakPolarHBondContact CB-OH 3.48Å; Y281-Y292 AromaticContact CD1-CD1 3.73Å; Y281-Y292 HydrophobicContact CD1-CD1 3.73Å; Y281-Y292 AromaticContact CD1-CE1 3.39Å; Y281-Y292 HydrophobicContact CD1-CE1 3.39Å; Y281-Y292 HydrophobicContact CD1-CE2 4.36Å; Y281-Y292 HydrophobicContact CD1-CG 4.33Å; Y281-Y292 AromaticContact CD1-CZ 3.72Å; Y281-Y292 HydrophobicContact CD2-CD2 4.39Å; Y281-Y292 HydrophobicContact CD2-CE2 4.34Å; Y281-Y292 AromaticContact CE1-CD1 3.57Å; Y281-Y292 HydrophobicContact CE1-CD1 3.57Å; Y281-Y292 AromaticContact CE1-CE1 3.75Å; Y281-Y292 HydrophobicContact CE1-CE1 3.75Å; Y281-Y292 HydrophobicContact CE1-CG 4.1Å; Y281-Y292 HydrophobicContact CE2-CG 4.39Å; Y281-Y292 HydrophobicContact CG-CD1 4.3Å; Y281-Y292 HydrophobicContact CG-CD2 4.42Å; Y281-Y292 AromaticContact CG-CE1 3.89Å; Y281-Y292 HydrophobicContact CG-CE1 3.89Å; Y281-Y292 HydrophobicContact CG-CE2 4.04Å; Y281-Y292 AromaticContact CG-CZ 3.71Å
282	K	92.6	Very high	78.7	Confident	113 Å²	113	72.1 Å²	72.1	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-103.7	-33.8	178.3	-61.7	-177.3	179.7	-173.1	0	112.3	E263 E270 R284	E263-K282 PolarHBondContact OE1-N 3.5Å; E270-K282 IonicContact OE1-NZ 2.93Å; E270-K282 PolarHBondContact OE1-NZ 3.38Å; E270-K282 WeakPolarHBondContact OE2-CE 3.2Å; E270-K282 IonicContact OE2-NZ 3.92Å; E270-K282 PolarHBondContact OE2-NZ 3.28Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å
283	G	93.7	Very high	81.2	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-66.8	-32.6	-171.1	0	0	0	0	0	114.1	E256 E263	E256-G283 WeakPolarHBondContact CG-O 3.41Å; E263-G283 PolarHBondContact OE1-N 2.94Å; E263-G283 PolarHBondContact OE2-N 3.47Å
284	R	94.5	Very high	84.1	Confident	12 Å²	12	64.3 Å²	64.3	5%	0.045	32%	0.321	C	S	.	.	S	Bend	trans	-143.2	153.1	173	-66.4	-63.1	-176.3	-87.8	-0.9	110.4	D188 E256 D257 F260 W279 K282 K288 Y292	D188-R284 IonicContact OD1-CZ 3.76Å; D188-R284 IonicContact OD1-NE 2.93Å; D188-R284 PolarHBondContact OD1-NE 3.46Å; D188-R284 IonicContact OD1-NH2 3.77Å; D188-R284 PolarHBondContact OD1-NH2 2.99Å; E256-R284 IonicContact OE1-NH1 3.45Å; D257-R284 IonicContact OD1-CZ 3.67Å; D257-R284 VanDerWaalsContact OD1-CZ 3.24Å; D257-R284 IonicContact OD1-NH1 3.76Å; D257-R284 PolarHBondContact OD1-NH1 2.97Å; D257-R284 IonicContact OD1-NH2 3.68Å; D257-R284 PolarHBondContact OD1-NH2 3.46Å; F260-R284 HydrophobicContact CB-CG 4.49Å; F260-R284 HydrophobicContact CD1-CG 3.94Å; F260-R284 VanDerWaalsContact CD1-CZ 3.48Å; F260-R284 HydrophobicContact CD2-CB 4.28Å; F260-R284 HydrophobicContact CD2-CG 3.57Å; F260-R284 HydrophobicContact CE1-CG 4.02Å; F260-R284 HydrophobicContact CE2-CB 4.33Å; F260-R284 HydrophobicContact CE2-CG 3.66Å; F260-R284 HydrophobicContact CG-CG 3.74Å; F260-R284 HydrophobicContact CZ-CG 3.89Å; W279-R284 PolarHBondContact NE1-O 2.85Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å; R284-K288 HydrophobicContact CB-CB 4.18Å; R284-Y292 HydrophobicContact CB-CE2 4.02Å; R284-Y292 PolarHBondContact N-OH 3.26Å
285	S	93.4	Very high	86.8	Confident	64 Å²	64	61.8 Å²	61.8	45%	0.448	30%	0.295	S	S	.	.			trans	-76.4	166.8	177.2	43.3	0	0	0	0	113.2	D287 K288	S285-D287 WeakPolarHBondContact CB-OD1 3.19Å; S285-D287 PolarHBondContact O-N 2.98Å; S285-D287 VanDerWaalsContact O-N 3.14Å; S285-D287 PolarHBondContact OG-OD1 3.42Å; S285-K288 PolarHBondContact O-N 3.11Å
286	K	93.7	Very high	89.5	Confident	91 Å²	91	50.5 Å²	50.5	40%	0.396	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57	-27.6	-176.3	-169.8	-174.5	-176	-162.9	0	114	W279 K288 S289 G339 Q340	W279-K286 HydrophobicContact CD2-CB 3.88Å; W279-K286 HydrophobicContact CD2-CG 4.28Å; W279-K286 HydrophobicContact CE3-CB 3.96Å; W279-K286 HydrophobicContact CE3-CG 3.83Å; W279-K286 HydrophobicContact CG-CB 4.16Å; W279-K286 HydrophobicContact CZ3-CG 4.32Å; K286-K288 PolarHBondContact O-N 2.96Å; K286-S289 VanDerWaalsContact O-CB 3.29Å; K286-S289 WeakPolarHBondContact O-CB 3.12Å; K286-S289 PolarHBondContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.01Å; K286-S289 VanDerWaalsContact O-OG 3.11Å; K286-G339 WeakPolarHBondContact CE-O 3.24Å; K286-G339 PolarHBondContact NZ-O 2.65Å; K286-Q340 HydrophobicContact CD-CG 4.22Å; K286-Q340 HydrophobicContact CG-CG 4.04Å
287	D	91.9	Very high	91.8	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-67.6	-16.2	175.7	64.4	-62.2	0	0	0	113.4	S285 K341	S285-D287 WeakPolarHBondContact CB-OD1 3.19Å; S285-D287 PolarHBondContact O-N 2.98Å; S285-D287 VanDerWaalsContact O-N 3.14Å; S285-D287 PolarHBondContact OG-OD1 3.42Å; D287-K341 WeakPolarHBondContact O-CD 3.19Å
288	K	95	Very high	93.3	Very high	30 Å²	30	45.2 Å²	45.2	13%	0.13	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-110.5	21.9	173.9	-67.7	-169.1	173.2	-175.4	0	113	L183 D188 R284 S285 K286 F290 L291	L183-K288 PolarHBondContact O-NZ 3.49Å; D188-K288 IonicContact OD1-NZ 2.71Å; D188-K288 IonicContact OD2-NZ 3.82Å; D188-K288 PolarHBondContact OD2-NZ 3.38Å; R284-K288 HydrophobicContact CB-CB 4.18Å; S285-K288 PolarHBondContact O-N 3.11Å; K286-K288 PolarHBondContact O-N 2.96Å; K288-F290 PolarHBondContact O-N 2.67Å; K288-F290 VanDerWaalsContact O-N 3.12Å; K288-L291 HydrophobicContact CB-CD1 4Å; K288-L291 HydrophobicContact CB-CG 4.4Å; K288-L291 HydrophobicContact CD-CD1 4.14Å; K288-L291 HydrophobicContact CG-CD1 4.45Å; K288-L291 WeakPolarHBondContact O-CB 3.48Å; K288-L291 PolarHBondContact O-N 3.29Å
289	S	96.3	Very high	93.8	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.049	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-54.7	-34.2	-177.5	54.7	0	0	0	0	114.3	K286 L291 Y292 K341	K286-S289 VanDerWaalsContact O-CB 3.29Å; K286-S289 WeakPolarHBondContact O-CB 3.12Å; K286-S289 PolarHBondContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.01Å; K286-S289 VanDerWaalsContact O-OG 3.11Å; S289-L291 PolarHBondContact O-N 2.87Å; S289-Y292 PolarHBondContact O-N 2.96Å; S289-K341 PolarHBondContact OG-N 2.99Å; S289-K341 VanDerWaalsContact OG-N 3.09Å; S289-K341 PolarHBondContact OG-O 3.36Å
290	F	97.3	Very high	93.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.5	179.6	64.2	-88.4	0	0	0	113.8	L175 L182 I184 K288 Y292 E293 V334 K341 I343	L175-F290 HydrophobicContact CD1-CD2 4.18Å; L182-F290 HydrophobicContact CB-CE1 4.49Å; L182-F290 HydrophobicContact CB-CZ 4.03Å; L182-F290 HydrophobicContact CD1-CE2 4.29Å; L182-F290 HydrophobicContact CD1-CZ 4.12Å; L182-F290 HydrophobicContact CD2-CE1 4.06Å; L182-F290 HydrophobicContact CD2-CZ 4.3Å; L182-F290 HydrophobicContact CG-CZ 4.38Å; I184-F290 HydrophobicContact CD1-CE2 3.65Å; I184-F290 HydrophobicContact CD1-CZ 3.92Å; I184-F290 HydrophobicContact CG1-CE2 4.04Å; I184-F290 HydrophobicContact CG1-CZ 3.85Å; K288-F290 PolarHBondContact O-N 2.67Å; K288-F290 VanDerWaalsContact O-N 3.12Å; F290-Y292 VanDerWaalsContact C-N 3.3Å; F290-Y292 PolarHBondContact O-N 2.81Å; F290-E293 WeakPolarHBondContact O-CB 3.35Å; F290-E293 PolarHBondContact O-N 3.5Å; F290-V334 HydrophobicContact CB-CG1 4.06Å; F290-V334 HydrophobicContact CB-CG2 4.02Å; F290-V334 HydrophobicContact CD1-CG1 3.83Å; F290-V334 HydrophobicContact CD1-CG2 4.28Å; F290-V334 HydrophobicContact CD2-CG2 3.69Å; F290-V334 HydrophobicContact CE1-CG1 4.48Å; F290-V334 HydrophobicContact CE2-CG2 4.22Å; F290-V334 HydrophobicContact CG-CG1 3.94Å; F290-V334 HydrophobicContact CG-CG2 3.73Å; F290-K341 HydrophobicContact CD1-CB 3.83Å; F290-K341 HydrophobicContact CD1-CD 4.33Å; F290-K341 HydrophobicContact CE1-CD 4.37Å; F290-K341 PolarHBondContact N-O 2.91Å; F290-I343 HydrophobicContact CB-CG1 4.04Å
291	L	98	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-67.2	-32.5	178.1	-62.7	179.2	0	0	0	112.1	V172 D188 V192 F260 K288 S289 E293 I294	V172-L291 HydrophobicContact CG2-CD2 3.82Å; D188-L291 HydrophobicContact CB-CD1 4.09Å; V192-L291 HydrophobicContact CG2-CB 4.48Å; V192-L291 HydrophobicContact CG2-CD2 4.31Å; F260-L291 HydrophobicContact CE1-CD1 4.36Å; F260-L291 HydrophobicContact CE2-CB 4.25Å; F260-L291 HydrophobicContact CZ-CB 3.8Å; F260-L291 HydrophobicContact CZ-CD1 3.79Å; F260-L291 HydrophobicContact CZ-CG 4.44Å; K288-L291 HydrophobicContact CB-CD1 4Å; K288-L291 HydrophobicContact CB-CG 4.4Å; K288-L291 HydrophobicContact CD-CD1 4.14Å; K288-L291 HydrophobicContact CG-CD1 4.45Å; K288-L291 WeakPolarHBondContact O-CB 3.48Å; K288-L291 PolarHBondContact O-N 3.29Å; S289-L291 PolarHBondContact O-N 2.87Å; L291-E293 PolarHBondContact O-N 3.32Å; L291-I294 HydrophobicContact CD2-CD1 4.03Å; L291-I294 WeakPolarHBondContact O-CB 3.27Å; L291-I294 PolarHBondContact O-N 3.47Å
292	Y	97.8	Very high	94	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.047	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-70.8	-7.6	176.4	-65.4	-83.1	0	0	0	113.4	F260 E263 Q264 W279 Y281 R284 S289 F290	F260-Y292 AromaticContact CD2-CE1 3.64Å; F260-Y292 HydrophobicContact CD2-CE1 3.64Å; F260-Y292 HydrophobicContact CD2-CE2 4.22Å; F260-Y292 AromaticContact CD2-CZ 3.5Å; F260-Y292 VanDerWaalsContact CD2-CZ 3.5Å; F260-Y292 WeakPolarHBondContact CD2-OH 3.34Å; F260-Y292 HydrophobicContact CE2-CD1 4.23Å; F260-Y292 HydrophobicContact CE2-CD2 4.39Å; F260-Y292 AromaticContact CE2-CE1 3.75Å; F260-Y292 HydrophobicContact CE2-CE1 3.75Å; F260-Y292 AromaticContact CE2-CE2 3.92Å; F260-Y292 HydrophobicContact CE2-CE2 3.92Å; F260-Y292 AromaticContact CE2-CZ 3.62Å; E263-Y292 HydrophobicContact CB-CD1 4.36Å; E263-Y292 HydrophobicContact CB-CE1 3.61Å; E263-Y292 WeakPolarHBondContact OE2-CE1 3.11Å; E263-Y292 PolarHBondContact OE2-OH 2.65Å; Q264-Y292 HydrophobicContact CG-CD1 3.92Å; Q264-Y292 HydrophobicContact CG-CE1 4.26Å; W279-Y292 HydrophobicContact CH2-CD2 4.11Å; W279-Y292 HydrophobicContact CH2-CE2 4.25Å; W279-Y292 HydrophobicContact CZ2-CD2 4.04Å; W279-Y292 AromaticContact CZ2-CE2 3.71Å; W279-Y292 HydrophobicContact CZ2-CE2 3.71Å; Y281-Y292 WeakPolarHBondContact CB-OH 3.48Å; Y281-Y292 AromaticContact CD1-CD1 3.73Å; Y281-Y292 HydrophobicContact CD1-CD1 3.73Å; Y281-Y292 AromaticContact CD1-CE1 3.39Å; Y281-Y292 HydrophobicContact CD1-CE1 3.39Å; Y281-Y292 HydrophobicContact CD1-CE2 4.36Å; Y281-Y292 HydrophobicContact CD1-CG 4.33Å; Y281-Y292 AromaticContact CD1-CZ 3.72Å; Y281-Y292 HydrophobicContact CD2-CD2 4.39Å; Y281-Y292 HydrophobicContact CD2-CE2 4.34Å; Y281-Y292 AromaticContact CE1-CD1 3.57Å; Y281-Y292 HydrophobicContact CE1-CD1 3.57Å; Y281-Y292 AromaticContact CE1-CE1 3.75Å; Y281-Y292 HydrophobicContact CE1-CE1 3.75Å; Y281-Y292 HydrophobicContact CE1-CG 4.1Å; Y281-Y292 HydrophobicContact CE2-CG 4.39Å; Y281-Y292 HydrophobicContact CG-CD1 4.3Å; Y281-Y292 HydrophobicContact CG-CD2 4.42Å; Y281-Y292 AromaticContact CG-CE1 3.89Å; Y281-Y292 HydrophobicContact CG-CE1 3.89Å; Y281-Y292 HydrophobicContact CG-CE2 4.04Å; Y281-Y292 AromaticContact CG-CZ 3.71Å; R284-Y292 HydrophobicContact CB-CE2 4.02Å; R284-Y292 PolarHBondContact N-OH 3.26Å; S289-Y292 PolarHBondContact O-N 2.96Å; F290-Y292 VanDerWaalsContact C-N 3.3Å; F290-Y292 PolarHBondContact O-N 2.81Å
293	E	97.5	Very high	94.2	Very high	16 Å²	16	28 Å²	28	8%	0.075	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-90.9	-1.8	176.2	-58	-164.7	158.7	0	0	113	F290 L291 N297 R299 H342 I343	F290-E293 WeakPolarHBondContact O-CB 3.35Å; F290-E293 PolarHBondContact O-N 3.5Å; L291-E293 PolarHBondContact O-N 3.32Å; E293-N297 PolarHBondContact O-ND2 3.33Å; E293-R299 IonicContact OE1-CZ 2.71Å; E293-R299 IonicContact OE1-NE 3.63Å; E293-R299 PolarHBondContact OE1-NE 2.74Å; E293-R299 IonicContact OE1-NH2 3.58Å; E293-R299 PolarHBondContact OE1-NH2 3.14Å; E293-R299 VanDerWaalsContact OE1-NH2 3.09Å; E293-R299 IonicContact OE2-CZ 2.67Å; E293-R299 IonicContact OE2-NH2 3.39Å; E293-R299 PolarHBondContact OE2-NH2 3.41Å; E293-H342 IonicContact OE1-CE1 2.69Å; E293-H342 IonicContact OE1-CG 3.73Å; E293-H342 IonicContact OE1-ND1 2.75Å; E293-H342 PolarHBondContact OE1-ND1 3.46Å; E293-I343 HydrophobicContact CB-CD1 3.91Å; E293-I343 HydrophobicContact CB-CG1 4.19Å; E293-I343 PolarHBondContact OE2-N 3.38Å
294	I	98.4	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-57.7	-172.5	-64.1	177.3	0	0	0	112	A168 L171 V172 V192 L291 D303 V304 I343	A168-I294 HydrophobicContact CB-CG2 4.09Å; L171-I294 HydrophobicContact CD2-CB 4.33Å; L171-I294 HydrophobicContact CD2-CG1 3.96Å; L171-I294 HydrophobicContact CD2-CG2 4.06Å; L171-I294 HydrophobicContact CG-CG1 4.38Å; V172-I294 HydrophobicContact CB-CD1 3.9Å; V172-I294 HydrophobicContact CG2-CD1 4.24Å; V192-I294 HydrophobicContact CG1-CB 4.23Å; V192-I294 HydrophobicContact CG1-CD1 4.03Å; V192-I294 HydrophobicContact CG1-CG2 3.67Å; V192-I294 HydrophobicContact CG2-CD1 4.5Å; L291-I294 HydrophobicContact CD2-CD1 4.03Å; L291-I294 WeakPolarHBondContact O-CB 3.27Å; L291-I294 PolarHBondContact O-N 3.47Å; I294-D303 WeakPolarHBondContact O-CA 3.2Å; I294-D303 WeakPolarHBondContact O-CB 3.25Å; I294-V304 HydrophobicContact CG2-CG1 4.18Å; I294-V304 HydrophobicContact CG2-CG2 4.23Å; I294-V304 WeakPolarHBondContact O-CG2 3.45Å; I294-V304 PolarHBondContact O-N 2.86Å; I294-I343 HydrophobicContact CG1-CD1 3.82Å
295	V	98.1	Very high	94.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.148	C	C	.	.	S	Bend	trans	-84.1	-51.4	-169.7	177	0	0	0	0	112.4	A168 V192 A195 H199 D303	A168-V295 HydrophobicContact CB-CG2 4.27Å; V192-V295 HydrophobicContact CG1-CG2 4.43Å; A195-V295 HydrophobicContact CB-CG2 4.01Å; H199-V295 HydrophobicContact CB-CG1 4.09Å; V295-D303 WeakPolarHBondContact O-CB 3.49Å
296	A	94.9	Very high	94.8	Very high	31 Å²	31	27.3 Å²	27.3	26%	0.256	13%	0.134	S	C	.	.	S	Bend	trans	-135.9	96.9	179.3	0	0	0	0	0	110.5	Q264 K298	Q264-A296 WeakPolarHBondContact O-CB 3.46Å; A296-K298 PolarHBondContact O-N 2.97Å
297	N	93.4	Very high	95	Very high	11 Å²	11	23 Å²	23	6%	0.059	12%	0.115	C	C	.	.			trans	-92.1	91.2	-171	-170	-22.9	0	0	0	111.9	E293 R299 N300 G301 I302 D303	E293-N297 PolarHBondContact O-ND2 3.33Å; N297-R299 PolarHBondContact O-N 3.45Å; N297-R299 WeakPolarHBondContact OD1-CB 3.17Å; N297-R299 PolarHBondContact OD1-N 2.98Å; N297-R299 VanDerWaalsContact OD1-N 3.08Å; N297-N300 VanDerWaalsContact CG-OD1 3.3Å; N297-N300 PolarHBondContact ND2-OD1 2.79Å; N297-N300 PolarHBondContact OD1-N 3.03Å; N297-N300 PolarHBondContact OD1-OD1 2.8Å; N297-G301 VanDerWaalsContact O-CA 3.26Å; N297-G301 WeakPolarHBondContact O-CA 3.39Å; N297-G301 PolarHBondContact O-N 3.08Å; N297-I302 WeakPolarHBondContact CB-O 3.36Å; N297-I302 PolarHBondContact ND2-O 3.35Å; N297-D303 HydrophobicContact CB-CB 3.88Å; N297-D303 PolarHBondContact N-OD2 3.21Å
298	K	85.1	Confident	95.4	Very high	145 Å²	145	19.4 Å²	19.4	63%	0.63	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.5	180	-61.1	-171.9	-179.8	-169.7	0	114.7	A266 A296	A266-K298 PolarHBondContact O-NZ 3.5Å; A296-K298 PolarHBondContact O-N 2.97Å
299	R	88	Confident	95.5	Very high	60 Å²	60	19.2 Å²	19.2	23%	0.226	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-46.1	-177.4	-179.5	177.1	64.6	131.8	-1.3	112	E293 N297 I343 M504 N512	E293-R299 IonicContact OE1-CZ 2.71Å; E293-R299 IonicContact OE1-NE 3.63Å; E293-R299 PolarHBondContact OE1-NE 2.74Å; E293-R299 IonicContact OE1-NH2 3.58Å; E293-R299 PolarHBondContact OE1-NH2 3.14Å; E293-R299 VanDerWaalsContact OE1-NH2 3.09Å; E293-R299 IonicContact OE2-CZ 2.67Å; E293-R299 IonicContact OE2-NH2 3.39Å; E293-R299 PolarHBondContact OE2-NH2 3.41Å; N297-R299 PolarHBondContact O-N 3.45Å; N297-R299 WeakPolarHBondContact OD1-CB 3.17Å; N297-R299 PolarHBondContact OD1-N 2.98Å; N297-R299 VanDerWaalsContact OD1-N 3.08Å; R299-I343 PolarHBondContact NH2-O 3.22Å; R299-M504 VanDerWaalsContact O-CE 3.28Å; R299-M504 WeakPolarHBondContact O-CE 3.49Å; R299-N512 PolarHBondContact NH1-O 3.44Å
300	N	88.4	Confident	95.6	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.9	-1.7	-173.7	62.5	26.3	0	0	0	114.4	N297 I302 N512 V513	N297-N300 VanDerWaalsContact CG-OD1 3.3Å; N297-N300 PolarHBondContact ND2-OD1 2.79Å; N297-N300 PolarHBondContact OD1-N 3.03Å; N297-N300 PolarHBondContact OD1-OD1 2.8Å; N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 3.32Å; N300-I302 WeakPolarHBondContact OD1-CB 3.48Å; N300-I302 WeakPolarHBondContact OD1-CG1 3.29Å; N300-I302 PolarHBondContact OD1-N 3.42Å; N300-N512 HydrophobicContact CB-CB 3.95Å; N300-V513 HydrophobicContact CB-CG2 4.23Å
301	G	91	Very high	95.6	Very high	13 Å²	13	19.5 Å²	19.5	13%	0.134	10%	0.097	C	C	.	.	S	Bend	trans	69.5	25.3	179.1	0	0	0	0	0	114.1	N297 K306	N297-G301 VanDerWaalsContact O-CA 3.26Å; N297-G301 WeakPolarHBondContact O-CA 3.39Å; N297-G301 PolarHBondContact O-N 3.08Å; G301-K306 WeakPolarHBondContact O-CD 3.44Å
302	I	95.1	Very high	95.6	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.051	10%	0.097	C	C	.	.			trans	-107.4	102.7	172.5	-49.5	-176.4	0	0	0	108.5	N297 N300 W307 F328 L353 M356 F357 V513	N297-I302 WeakPolarHBondContact CB-O 3.36Å; N297-I302 PolarHBondContact ND2-O 3.35Å; N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 3.32Å; N300-I302 WeakPolarHBondContact OD1-CB 3.48Å; N300-I302 WeakPolarHBondContact OD1-CG1 3.29Å; N300-I302 PolarHBondContact OD1-N 3.42Å; I302-W307 HydrophobicContact CG2-CZ2 4.18Å; I302-F328 HydrophobicContact CG2-CE2 4.48Å; I302-F328 HydrophobicContact CG2-CZ 4.36Å; I302-L353 HydrophobicContact CD1-CD1 3.94Å; I302-L353 HydrophobicContact CD1-CD2 3.86Å; I302-L353 HydrophobicContact CD1-CG 4.47Å; I302-M356 HydrophobicContact CB-CE 4.36Å; I302-M356 HydrophobicContact CD1-CE 4.45Å; I302-M356 HydrophobicContact CG1-CE 3.78Å; I302-M356 HydrophobicContact CG2-CE 4.3Å; I302-M356 HydrophobicContact CG2-SD 4.21Å; I302-F357 HydrophobicContact CD1-CE2 4.38Å; I302-F357 HydrophobicContact CD1-CZ 4.32Å; I302-F357 HydrophobicContact CG1-CE2 4.44Å; I302-F357 HydrophobicContact CG1-CZ 3.92Å; I302-V513 HydrophobicContact CD1-CG1 4.47Å; I302-V513 HydrophobicContact CD1-CG2 3.48Å; I302-V513 VanDerWaalsContact CD1-CG2 3.48Å
303	D	97.1	Very high	95.7	Very high	5 Å²	5	19 Å²	19	3%	0.027	10%	0.095	C	C	.	.			trans	-146.6	166	-176.6	46.8	49.5	0	0	0	111.5	I294 V295 N297 D305 K306 W307	I294-D303 WeakPolarHBondContact O-CA 3.2Å; I294-D303 WeakPolarHBondContact O-CB 3.25Å; V295-D303 WeakPolarHBondContact O-CB 3.49Å; N297-D303 HydrophobicContact CB-CB 3.88Å; N297-D303 PolarHBondContact N-OD2 3.21Å; D303-D305 VanDerWaalsContact C-N 3.28Å; D303-D305 PolarHBondContact O-N 2.92Å; D303-K306 PolarHBondContact O-N 3.23Å; D303-K306 VanDerWaalsContact OD1-CD 3.24Å; D303-K306 WeakPolarHBondContact OD1-CD 3.42Å; D303-K306 WeakPolarHBondContact OD1-CE 3.43Å; D303-K306 WeakPolarHBondContact OD1-CG 3.3Å; D303-K306 PolarHBondContact OD1-N 3.47Å; D303-K306 IonicContact OD1-NZ 2.72Å; D303-K306 PolarHBondContact OD1-NZ 2.85Å; D303-K306 IonicContact OD2-NZ 3.21Å; D303-K306 PolarHBondContact OD2-NZ 3.46Å; D303-W307 PolarHBondContact O-N 3.28Å; D303-W307 PolarHBondContact O-NE1 3.35Å
304	V	98.4	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-71.3	-22.1	-176	-63.9	0	0	0	0	113.7	V164 L167 A168 L171 I294 W307 D308	V164-V304 HydrophobicContact CG1-CG2 3.86Å; L167-V304 HydrophobicContact CB-CB 3.8Å; L167-V304 HydrophobicContact CB-CG1 4.05Å; A168-V304 HydrophobicContact CB-CG2 3.88Å; L171-V304 HydrophobicContact CB-CG1 4.23Å; L171-V304 HydrophobicContact CD2-CG1 3.97Å; I294-V304 HydrophobicContact CG2-CG1 4.18Å; I294-V304 HydrophobicContact CG2-CG2 4.23Å; I294-V304 WeakPolarHBondContact O-CG2 3.45Å; I294-V304 PolarHBondContact O-N 2.86Å; V304-W307 HydrophobicContact CB-CE3 4.32Å; V304-W307 HydrophobicContact CG1-CD2 4.39Å; V304-W307 HydrophobicContact CG1-CE3 3.71Å; V304-W307 HydrophobicContact CG1-CH2 4.39Å; V304-W307 HydrophobicContact CG1-CZ3 3.71Å; V304-W307 PolarHBondContact O-N 3.19Å; V304-D308 PolarHBondContact O-N 2.75Å; V304-D308 VanDerWaalsContact O-N 3.09Å
305	D	98.4	Very high	95.7	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.139	12%	0.119	C	C	.	.	H	α-helix	trans	-54.8	-55.7	170.2	156.9	43.7	0	0	0	110.1	H160 V164 H199 D303 W307 D308 Y309	H160-D305 IonicContact CE1-OD1 3.22Å; H160-D305 PolarHBondContact CE1-OD1 3.22Å; H160-D305 IonicContact NE2-OD1 3.38Å; H160-D305 PolarHBondContact NE2-OD1 2.85Å; V164-D305 HydrophobicContact CG1-CB 4.44Å; H199-D305 IonicContact NE2-OD1 3Å; D303-D305 VanDerWaalsContact C-N 3.28Å; D303-D305 PolarHBondContact O-N 2.92Å; D305-W307 VanDerWaalsContact C-N 3.27Å; D305-W307 PolarHBondContact O-N 2.87Å; D305-D308 PolarHBondContact O-N 2.89Å; D305-Y309 VanDerWaalsContact O-CD1 3.24Å; D305-Y309 WeakPolarHBondContact O-CD1 3.33Å; D305-Y309 PolarHBondContact O-N 2.9Å; D305-Y309 WeakPolarHBondContact OD1-CD1 3.2Å
306	K	97.2	Very high	95.7	Very high	34 Å²	34	26.8 Å²	26.8	15%	0.148	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-37.4	176.4	-78.3	154	-153.8	59.5	0	113.6	G301 D303 Y309 F310	G301-K306 WeakPolarHBondContact O-CD 3.44Å; D303-K306 PolarHBondContact O-N 3.23Å; D303-K306 VanDerWaalsContact OD1-CD 3.24Å; D303-K306 WeakPolarHBondContact OD1-CD 3.42Å; D303-K306 WeakPolarHBondContact OD1-CE 3.43Å; D303-K306 WeakPolarHBondContact OD1-CG 3.3Å; D303-K306 PolarHBondContact OD1-N 3.47Å; D303-K306 IonicContact OD1-NZ 2.72Å; D303-K306 PolarHBondContact OD1-NZ 2.85Å; D303-K306 IonicContact OD2-NZ 3.21Å; D303-K306 PolarHBondContact OD2-NZ 3.46Å; K306-Y309 HydrophobicContact CB-CE1 3.99Å; K306-Y309 HydrophobicContact CG-CD1 4.36Å; K306-Y309 HydrophobicContact CG-CE1 3.39Å; K306-Y309 WeakPolarHBondContact CG-OH 3.11Å; K306-F310 HydrophobicContact CB-CD2 4.29Å; K306-F310 HydrophobicContact CB-CE2 3.77Å; K306-F310 HydrophobicContact CB-CZ 3.99Å; K306-F310 HydrophobicContact CG-CE2 4.31Å; K306-F310 HydrophobicContact CG-CZ 4.04Å; K306-F310 WeakPolarHBondContact O-CB 3.42Å; K306-F310 WeakPolarHBondContact O-CD2 3.46Å; K306-F310 WeakPolarHBondContact O-CG 3.49Å; K306-F310 PolarHBondContact O-N 3.27Å
307	W	98.1	Very high	95.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-41.8	-178.9	-59.6	-2.9	0	0	0	111.8	L167 L171 I302 D303 V304 D305 A311 F323 Y325 F328 L329	L167-W307 HydrophobicContact CD1-CB 3.82Å; L171-W307 HydrophobicContact CB-CZ3 4.47Å; L171-W307 HydrophobicContact CD1-CH2 4.25Å; L171-W307 HydrophobicContact CD2-CH2 3.77Å; L171-W307 HydrophobicContact CD2-CZ3 4.09Å; I302-W307 HydrophobicContact CG2-CZ2 4.18Å; D303-W307 PolarHBondContact O-N 3.28Å; D303-W307 PolarHBondContact O-NE1 3.35Å; V304-W307 HydrophobicContact CB-CE3 4.32Å; V304-W307 HydrophobicContact CG1-CD2 4.39Å; V304-W307 HydrophobicContact CG1-CE3 3.71Å; V304-W307 HydrophobicContact CG1-CH2 4.39Å; V304-W307 HydrophobicContact CG1-CZ3 3.71Å; V304-W307 PolarHBondContact O-N 3.19Å; D305-W307 VanDerWaalsContact C-N 3.27Å; D305-W307 PolarHBondContact O-N 2.87Å; W307-A311 WeakPolarHBondContact O-CB 3.41Å; W307-A311 PolarHBondContact O-N 2.95Å; W307-F323 HydrophobicContact CB-CE1 4.36Å; W307-F323 AromaticContact CD1-CE1 3.3Å; W307-F323 AromaticContact CD1-CZ 3.84Å; W307-F323 HydrophobicContact CD2-CE1 4.23Å; W307-F323 HydrophobicContact CD2-CZ 4.5Å; W307-F323 AromaticContact CG-CE1 3.71Å; W307-F323 HydrophobicContact CG-CE1 3.71Å; W307-F323 HydrophobicContact CG-CZ 4.38Å; W307-F323 AromaticContact NE1-CE1 3.58Å; W307-F323 AromaticContact NE1-CZ 3.6Å; W307-Y325 HydrophobicContact CB-CG 4.45Å; W307-F328 AromaticContact CH2-CD1 3.26Å; W307-F328 HydrophobicContact CH2-CD1 3.26Å; W307-F328 AromaticContact CH2-CE1 3.51Å; W307-F328 HydrophobicContact CH2-CE1 3.51Å; W307-F328 HydrophobicContact CH2-CG 4.2Å; W307-F328 AromaticContact CZ2-CD1 3.35Å; W307-F328 HydrophobicContact CZ2-CD1 3.35Å; W307-F328 AromaticContact CZ2-CE1 3.48Å; W307-F328 HydrophobicContact CZ2-CE1 3.48Å; W307-F328 VanDerWaalsContact CZ2-CE1 3.48Å; W307-F328 AromaticContact CZ2-CG 3.98Å; W307-F328 HydrophobicContact CZ2-CG 3.98Å; W307-F328 HydrophobicContact CZ2-CZ 4.19Å; W307-F328 HydrophobicContact CZ3-CD1 4.3Å; W307-L329 HydrophobicContact CH2-CD2 4.48Å; W307-L329 HydrophobicContact CZ3-CD2 3.81Å; W307-L329 HydrophobicContact CZ3-CG 4.22Å
308	D	98.7	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-57	175.4	-177.8	86.5	0	0	0	110.4	H116 H160 G163 V164 L167 V304 D305 F310 A311 R312	H116-D308 IonicContact CD2-OD1 3.03Å; H116-D308 IonicContact CE1-OD1 3.44Å; H116-D308 IonicContact NE2-OD1 3.58Å; H116-D308 PolarHBondContact NE2-OD1 3.46Å; H160-D308 IonicContact CE1-OD2 2.79Å; H160-D308 IonicContact CG-OD2 2.97Å; H160-D308 IonicContact ND1-OD2 2.8Å; H160-D308 PolarHBondContact ND1-OD2 3.25Å; G163-D308 VanDerWaalsContact CA-OD1 3.31Å; G163-D308 WeakPolarHBondContact CA-OD1 3.5Å; V164-D308 HydrophobicContact CG2-CB 3.72Å; L167-D308 HydrophobicContact CD1-CB 3.97Å; V304-D308 PolarHBondContact O-N 2.75Å; V304-D308 VanDerWaalsContact O-N 3.09Å; D305-D308 PolarHBondContact O-N 2.89Å; D308-F310 VanDerWaalsContact C-N 3.32Å; D308-F310 PolarHBondContact O-N 3.04Å; D308-A311 PolarHBondContact O-N 2.95Å; D308-A311 VanDerWaalsContact O-N 3.1Å; D308-R312 VanDerWaalsContact O-CB 3.28Å; D308-R312 WeakPolarHBondContact O-CB 3.31Å; D308-R312 PolarHBondContact O-N 2.79Å; D308-R312 IonicContact OD1-CZ 2.96Å; D308-R312 IonicContact OD1-NE 3.35Å; D308-R312 PolarHBondContact OD1-NE 2.89Å; D308-R312 IonicContact OD1-NH2 2.84Å; D308-R312 PolarHBondContact OD1-NH2 3.2Å; D308-R312 IonicContact OD2-CZ 2.94Å; D308-R312 IonicContact OD2-NE 3.79Å; D308-R312 PolarHBondContact OD2-NE 3.07Å; D308-R312 IonicContact OD2-NH2 2.91Å
309	Y	98	Very high	96.5	Very high	27 Å²	27	23.5 Å²	23.5	11%	0.106	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-31.6	-171.6	82.2	-113.7	0	0	0	112.2	D305 K306 A311 R312 D313 Y368	D305-Y309 VanDerWaalsContact O-CD1 3.24Å; D305-Y309 WeakPolarHBondContact O-CD1 3.33Å; D305-Y309 PolarHBondContact O-N 2.9Å; D305-Y309 WeakPolarHBondContact OD1-CD1 3.2Å; K306-Y309 HydrophobicContact CB-CE1 3.99Å; K306-Y309 HydrophobicContact CG-CD1 4.36Å; K306-Y309 HydrophobicContact CG-CE1 3.39Å; K306-Y309 WeakPolarHBondContact CG-OH 3.11Å; Y309-A311 PolarHBondContact O-N 3.47Å; Y309-R312 PolarHBondContact O-N 3.47Å; Y309-D313 WeakPolarHBondContact O-CA 3.36Å; Y309-D313 WeakPolarHBondContact O-CB 3.32Å; Y309-D313 PolarHBondContact O-N 2.84Å; Y309-Y368 WeakPolarHBondContact CD2-OH 3.47Å; Y309-Y368 HydrophobicContact CE2-CE2 4.24Å; Y309-Y368 VanDerWaalsContact CE2-OH 3.3Å; Y309-Y368 WeakPolarHBondContact CE2-OH 3.27Å
310	F	97.6	Very high	96.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-47	172.2	-69.3	-21.6	0	0	0	111.4	K306 D308 C314 M356 T359 R360 L363	K306-F310 HydrophobicContact CB-CD2 4.29Å; K306-F310 HydrophobicContact CB-CE2 3.77Å; K306-F310 HydrophobicContact CB-CZ 3.99Å; K306-F310 HydrophobicContact CG-CE2 4.31Å; K306-F310 HydrophobicContact CG-CZ 4.04Å; K306-F310 WeakPolarHBondContact O-CB 3.42Å; K306-F310 WeakPolarHBondContact O-CD2 3.46Å; K306-F310 WeakPolarHBondContact O-CG 3.49Å; K306-F310 PolarHBondContact O-N 3.27Å; D308-F310 VanDerWaalsContact C-N 3.32Å; D308-F310 PolarHBondContact O-N 3.04Å; F310-C314 WeakPolarHBondContact O-CB 3.4Å; F310-C314 PolarHBondContact O-N 3.48Å; F310-C314 VanDerWaalsContact O-N 3.11Å; F310-C314 PolarHBondContact O-SG 2.95Å; F310-M356 HydrophobicContact CD2-CG 3.92Å; F310-M356 HydrophobicContact CE2-CG 3.53Å; F310-M356 HydrophobicContact CE2-SD 4.27Å; F310-T359 HydrophobicContact CB-CG2 4.43Å; F310-T359 HydrophobicContact CG-CG2 4.44Å; F310-R360 HydrophobicContact CE1-CB 3.75Å; F310-R360 HydrophobicContact CE1-CG 3.94Å; F310-R360 HydrophobicContact CE2-CB 4.46Å; F310-R360 HydrophobicContact CZ-CB 3.53Å; F310-R360 HydrophobicContact CZ-CG 3.9Å; F310-L363 HydrophobicContact CB-CD1 4.39Å; F310-L363 HydrophobicContact CD1-CD1 3.49Å; F310-L363 VanDerWaalsContact CD1-CD1 3.49Å; F310-L363 HydrophobicContact CE1-CD1 4.21Å; F310-L363 HydrophobicContact CG-CD1 4.27Å
311	A	98.3	Very high	97.1	Very high	12 Å²	12	29.9 Å²	29.9	10%	0.099	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-44.5	179.8	0	0	0	0	0	111.7	I115 W307 D308 Y309 Y315	I115-A311 HydrophobicContact CG2-CB 3.59Å; W307-A311 WeakPolarHBondContact O-CB 3.41Å; W307-A311 PolarHBondContact O-N 2.95Å; D308-A311 PolarHBondContact O-N 2.95Å; D308-A311 VanDerWaalsContact O-N 3.1Å; Y309-A311 PolarHBondContact O-N 3.47Å; A311-Y315 WeakPolarHBondContact O-CB 3.31Å; A311-Y315 PolarHBondContact O-N 3.03Å
312	R	98.5	Very high	97.2	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-46.8	-177.2	-169.5	175.9	-57.9	-82.6	-6.5	112.2	D113 I115 E159 D308 Y309 Y315 H316	D113-R312 IonicContact OD1-NH1 3.68Å; D113-R312 IonicContact OD1-NH2 3.23Å; D113-R312 IonicContact OD2-CZ 3.59Å; D113-R312 IonicContact OD2-NH1 3.76Å; D113-R312 PolarHBondContact OD2-NH1 3.28Å; D113-R312 IonicContact OD2-NH2 3.89Å; D113-R312 PolarHBondContact OD2-NH2 2.87Å; I115-R312 HydrophobicContact CD1-CB 4.42Å; I115-R312 HydrophobicContact CD1-CG 4.46Å; I115-R312 HydrophobicContact CG1-CB 4.07Å; I115-R312 HydrophobicContact CG1-CG 4.1Å; E159-R312 PolarHBondContact O-NH2 3.46Å; D308-R312 VanDerWaalsContact O-CB 3.28Å; D308-R312 WeakPolarHBondContact O-CB 3.31Å; D308-R312 PolarHBondContact O-N 2.79Å; D308-R312 IonicContact OD1-CZ 2.96Å; D308-R312 IonicContact OD1-NE 3.35Å; D308-R312 PolarHBondContact OD1-NE 2.89Å; D308-R312 IonicContact OD1-NH2 2.84Å; D308-R312 PolarHBondContact OD1-NH2 3.2Å; D308-R312 IonicContact OD2-CZ 2.94Å; D308-R312 IonicContact OD2-NE 3.79Å; D308-R312 PolarHBondContact OD2-NE 3.07Å; D308-R312 IonicContact OD2-NH2 2.91Å; Y309-R312 PolarHBondContact O-N 3.47Å; R312-Y315 WeakPolarHBondContact O-CB 3.27Å; R312-Y315 PolarHBondContact O-N 3.47Å; R312-H316 PolarHBondContact O-N 3.05Å; R312-H316 PolarHBondContact O-ND1 3.08Å
313	D	98.4	Very high	97.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-42.3	179.4	-64	-13.7	0	0	0	110.2	L143 H155 Y309 Y315 H316 L317 L363 Y368	L143-D313 HydrophobicContact CD1-CB 4.45Å; H155-D313 IonicContact CD2-OD1 3.64Å; H155-D313 IonicContact CE1-OD1 3.67Å; H155-D313 IonicContact NE2-OD1 2.91Å; H155-D313 PolarHBondContact NE2-OD1 2.86Å; Y309-D313 WeakPolarHBondContact O-CA 3.36Å; Y309-D313 WeakPolarHBondContact O-CB 3.32Å; Y309-D313 PolarHBondContact O-N 2.84Å; D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 3.46Å; D313-H316 PolarHBondContact O-N 2.97Å; D313-L317 HydrophobicContact CB-CD1 4.07Å; D313-L317 WeakPolarHBondContact O-CB 3.49Å; D313-L317 WeakPolarHBondContact O-CD1 3.36Å; D313-L317 WeakPolarHBondContact O-CG 3.47Å; D313-L317 PolarHBondContact O-N 3.38Å; D313-L363 HydrophobicContact CB-CD2 4.31Å; D313-Y368 WeakPolarHBondContact OD2-CE1 3.38Å; D313-Y368 PolarHBondContact OD2-OH 3.19Å
314	C	98.3	Very high	97.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-55.3	-47.5	173.3	-79.2	0	0	0	0	111.8	F310 H316 L317 G318 I319 N321	F310-C314 WeakPolarHBondContact O-CB 3.4Å; F310-C314 PolarHBondContact O-N 3.48Å; F310-C314 VanDerWaalsContact O-N 3.11Å; F310-C314 PolarHBondContact O-SG 2.95Å; C314-H316 PolarHBondContact O-N 3.45Å; C314-L317 PolarHBondContact O-N 2.9Å; C314-G318 PolarHBondContact O-N 2.93Å; C314-I319 CarbonylContact C-O 3.57Å; C314-I319 VanDerWaalsContact C-O 3.29Å; C314-I319 WeakPolarHBondContact CA-O 3.49Å; C314-I319 WeakPolarHBondContact CB-O 3.46Å; C314-I319 PolarHBondContact O-N 3.09Å; C314-N321 HydrophobicContact CB-CB 3.77Å
315	Y	98.3	Very high	97.1	Very high	143 Å²	143	36.7 Å²	36.7	56%	0.561	19%	0.194	S	C	*	.	H	α-helix	trans	-57.7	-50.2	177.7	178.6	-94.5	0	0	0	112.4	P114 I115 A311 R312 D313 G318	P114-Y315 HydrophobicContact CB-CE1 4.32Å; I115-Y315 VanDerWaalsContact CD1-CB 3.48Å; I115-Y315 HydrophobicContact CD1-CD1 3.78Å; I115-Y315 HydrophobicContact CD1-CD2 4.18Å; I115-Y315 HydrophobicContact CD1-CG 3.54Å; A311-Y315 WeakPolarHBondContact O-CB 3.31Å; A311-Y315 PolarHBondContact O-N 3.03Å; R312-Y315 WeakPolarHBondContact O-CB 3.27Å; R312-Y315 PolarHBondContact O-N 3.47Å; D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 3.46Å; Y315-G318 PolarHBondContact O-N 2.71Å
316	H	98.4	Very high	97	Very high	34 Å²	34	42.1 Å²	42.1	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-74.9	-27	-177	-70.2	95.7	0	0	0	113.7	G152 H155 R312 D313 C314	G152-H316 CarbonylContact C-O 3.36Å; G152-H316 VanDerWaalsContact CA-O 3.29Å; G152-H316 WeakPolarHBondContact CA-O 3.27Å; G152-H316 WeakPolarHBondContact O-CB 3.19Å; G152-H316 PolarHBondContact O-CD2 3.11Å; H155-H316 AromaticContact CE1-CG 3.87Å; H155-H316 AromaticContact CG-CE1 3.94Å; H155-H316 AromaticContact CG-CG 3.79Å; H155-H316 AromaticContact CG-ND1 3.69Å; H155-H316 WeakPolarHBondContact ND1-CB 3.16Å; H155-H316 AromaticContact ND1-CD2 3.83Å; H155-H316 AromaticContact ND1-CG 3.35Å; H155-H316 AromaticContact ND1-ND1 3.68Å; R312-H316 PolarHBondContact O-N 3.05Å; R312-H316 PolarHBondContact O-ND1 3.08Å; D313-H316 PolarHBondContact O-N 2.97Å; C314-H316 PolarHBondContact O-N 3.45Å
317	L	97.9	Very high	96.9	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-85.5	-11.2	177	-65.6	168.3	0	0	0	113.1	L143 T146 F150 A153 D313 C314 I319 L363 A367	L143-L317 HydrophobicContact CD1-CD1 3.96Å; L143-L317 HydrophobicContact CD1-CD2 3.91Å; L143-L317 HydrophobicContact CD1-CG 4.07Å; T146-L317 HydrophobicContact CG2-CD2 4.4Å; F150-L317 HydrophobicContact CB-CD2 3.65Å; F150-L317 HydrophobicContact CD1-CD2 3.82Å; F150-L317 HydrophobicContact CD2-CD2 4.01Å; F150-L317 HydrophobicContact CE1-CD2 4.48Å; F150-L317 HydrophobicContact CG-CD2 3.55Å; A153-L317 HydrophobicContact CB-CD2 4.01Å; D313-L317 HydrophobicContact CB-CD1 4.07Å; D313-L317 WeakPolarHBondContact O-CB 3.49Å; D313-L317 WeakPolarHBondContact O-CD1 3.36Å; D313-L317 WeakPolarHBondContact O-CG 3.47Å; D313-L317 PolarHBondContact O-N 3.38Å; C314-L317 PolarHBondContact O-N 2.9Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 HydrophobicContact CB-CD1 3.92Å; L317-I319 HydrophobicContact CB-CG1 3.99Å; L317-I319 HydrophobicContact CD1-CD1 4.15Å; L317-L363 HydrophobicContact CD1-CD2 3.75Å; L317-A367 HydrophobicContact CD1-CB 3.49Å; L317-A367 VanDerWaalsContact CD1-CB 3.49Å; L317-A367 HydrophobicContact CD2-CB 4.01Å; L317-A367 HydrophobicContact CG-CB 4.39Å
318	G	96.5	Very high	96.8	Very high	73 Å²	73	45.9 Å²	45.9	75%	0.753	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	30.9	-172.3	0	0	0	0	0	113	C314 Y315	C314-G318 PolarHBondContact O-N 2.93Å; Y315-G318 PolarHBondContact O-N 2.71Å
319	I	95.3	Very high	96.7	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.144	23%	0.23	C	C	.	.			trans	-104.8	143.8	176.2	-61.5	173.5	0	0	0	108.1	C314 L317 L363 R366	C314-I319 CarbonylContact C-O 3.57Å; C314-I319 VanDerWaalsContact C-O 3.29Å; C314-I319 WeakPolarHBondContact CA-O 3.49Å; C314-I319 WeakPolarHBondContact CB-O 3.46Å; C314-I319 PolarHBondContact O-N 3.09Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 HydrophobicContact CB-CD1 3.92Å; L317-I319 HydrophobicContact CB-CG1 3.99Å; L317-I319 HydrophobicContact CD1-CD1 4.15Å; I319-L363 HydrophobicContact CD1-CD2 4.22Å; I319-R366 HydrophobicContact CD1-CB 4.22Å
320	Q	94.6	Very high	96.5	Very high	156 Å²	156	52.8 Å²	52.8	73%	0.729	26%	0.257	S	S	*	.			trans	-78.9	126.4	175.6	-172.5	174.1	-4.2	0	0	110.6
321	N	95.3	Very high	96.5	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	27%	0.266	C	S	.	.			trans	-85	118.4	167.9	176.9	24.3	0	0	0	109.4	C314 F323	C314-N321 HydrophobicContact CB-CB 3.77Å; N321-F323 PolarHBondContact ND2-O 3.28Å; N321-F323 VanDerWaalsContact ND2-O 3.11Å; N321-F323 PolarHBondContact OD1-N 2.78Å
322	N	93.6	Very high	96.4	Very high	77 Å²	77	54.2 Å²	54.2	41%	0.412	26%	0.261	S	S	.	.			trans	-90.7	-13.8	179.3	-68	-26.8	0	0	0	113.1	D355	N322-D355 HydrophobicContact CB-CB 4.37Å
323	F	96	Very high	96.4	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.022	27%	0.271	C	S	.	.			trans	-82.8	121.9	179.5	172.7	-113.9	0	0	0	111.9	W307 N321 F328 N352 L353 M356	W307-F323 HydrophobicContact CB-CE1 4.36Å; W307-F323 AromaticContact CD1-CE1 3.3Å; W307-F323 AromaticContact CD1-CZ 3.84Å; W307-F323 HydrophobicContact CD2-CE1 4.23Å; W307-F323 HydrophobicContact CD2-CZ 4.5Å; W307-F323 AromaticContact CG-CE1 3.71Å; W307-F323 HydrophobicContact CG-CE1 3.71Å; W307-F323 HydrophobicContact CG-CZ 4.38Å; W307-F323 AromaticContact NE1-CE1 3.58Å; W307-F323 AromaticContact NE1-CZ 3.6Å; N321-F323 PolarHBondContact ND2-O 3.28Å; N321-F323 VanDerWaalsContact ND2-O 3.11Å; N321-F323 PolarHBondContact OD1-N 2.78Å; F323-F328 HydrophobicContact CE2-CB 4.48Å; F323-F328 HydrophobicContact CZ-CB 4.22Å; F323-N352 WeakPolarHBondContact CD2-O 3.39Å; F323-N352 WeakPolarHBondContact CD2-OD1 3.3Å; F323-L353 HydrophobicContact CE2-CD2 4.43Å; F323-M356 HydrophobicContact CB-CB 4.1Å; F323-M356 HydrophobicContact CB-CG 4.28Å; F323-M356 HydrophobicContact CD1-CB 4.43Å; F323-M356 HydrophobicContact CD1-CG 3.91Å; F323-M356 HydrophobicContact CD1-SD 4.44Å; F323-M356 HydrophobicContact CD2-CB 3.57Å; F323-M356 HydrophobicContact CD2-CG 3.91Å; F323-M356 HydrophobicContact CE1-CG 4.19Å; F323-M356 HydrophobicContact CE1-SD 4.12Å; F323-M356 HydrophobicContact CE2-CB 4.06Å; F323-M356 HydrophobicContact CE2-CG 4.18Å; F323-M356 HydrophobicContact CE2-SD 4.18Å; F323-M356 HydrophobicContact CG-CB 3.76Å; F323-M356 HydrophobicContact CG-CG 3.75Å; F323-M356 HydrophobicContact CZ-CG 4.32Å; F323-M356 HydrophobicContact CZ-SD 3.98Å
324	D	95.9	Very high	96.4	Very high	72 Å²	72	57 Å²	57	39%	0.385	27%	0.272	S	S	.	.			trans	-97.9	96.2	174.9	-175.2	-6.4	0	0	0	111.1	R326 R327 F328 N352	D324-R326 VanDerWaalsContact C-N 3.3Å; D324-R326 PolarHBondContact O-N 3.39Å; D324-R326 WeakPolarHBondContact OD1-CA 3.46Å; D324-R326 VanDerWaalsContact OD1-CB 3.29Å; D324-R326 WeakPolarHBondContact OD1-CB 3.45Å; D324-R326 PolarHBondContact OD1-N 3.23Å; D324-R327 HydrophobicContact CB-CB 4Å; D324-R327 PolarHBondContact O-N 3.09Å; D324-R327 PolarHBondContact OD1-N 2.94Å; D324-R327 WeakPolarHBondContact OD2-CB 3.48Å; D324-F328 PolarHBondContact O-N 3.33Å; D324-N352 PolarHBondContact N-OD1 2.93Å; D324-N352 PolarHBondContact O-ND2 2.64Å; D324-N352 VanDerWaalsContact O-ND2 3.14Å
325	Y	96.1	Very high	96.3	Very high	17 Å²	17	57 Å²	57	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-28.2	175.2	69.8	-95.5	0	0	0	112.7	H116 L167 W307 R327 F328 L329	H116-Y325 AromaticContact ND1-CZ 3.93Å; H116-Y325 PolarHBondContact ND1-OH 3.03Å; L167-Y325 HydrophobicContact CD2-CD2 3.88Å; L167-Y325 HydrophobicContact CD2-CE2 3.49Å; L167-Y325 VanDerWaalsContact CD2-CE2 3.49Å; W307-Y325 HydrophobicContact CB-CG 4.45Å; Y325-R327 VanDerWaalsContact C-N 3.3Å; Y325-R327 PolarHBondContact O-N 3.22Å; Y325-F328 WeakPolarHBondContact O-CB 3.3Å; Y325-F328 PolarHBondContact O-N 2.91Å; Y325-L329 HydrophobicContact CD2-CD1 4.17Å; Y325-L329 WeakPolarHBondContact O-CG 3.47Å; Y325-L329 PolarHBondContact O-N 2.74Å
326	R	95.4	Very high	96.2	Very high	141 Å²	141	56.6 Å²	56.6	53%	0.532	28%	0.276	S	S	.	.	H	α-helix	trans	-68.2	-37.1	179	-59.7	177.5	-178.7	151.9	-0.4	110.3	D324 K330	D324-R326 VanDerWaalsContact C-N 3.3Å; D324-R326 PolarHBondContact O-N 3.39Å; D324-R326 WeakPolarHBondContact OD1-CA 3.46Å; D324-R326 VanDerWaalsContact OD1-CB 3.29Å; D324-R326 WeakPolarHBondContact OD1-CB 3.45Å; D324-R326 PolarHBondContact OD1-N 3.23Å; R326-K330 PolarHBondContact O-N 2.9Å
327	R	95.7	Very high	95.9	Very high	105 Å²	105	55.5 Å²	55.5	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-43.3	170.7	-173.9	177.1	169.1	165.4	-5.6	111.4	D324 Y325 L329 K330 F331 E349	D324-R327 HydrophobicContact CB-CB 4Å; D324-R327 PolarHBondContact O-N 3.09Å; D324-R327 PolarHBondContact OD1-N 2.94Å; D324-R327 WeakPolarHBondContact OD2-CB 3.48Å; Y325-R327 VanDerWaalsContact C-N 3.3Å; Y325-R327 PolarHBondContact O-N 3.22Å; R327-L329 PolarHBondContact O-N 3.3Å; R327-K330 PolarHBondContact O-N 3.33Å; R327-F331 HydrophobicContact CG-CD2 3.96Å; R327-F331 HydrophobicContact CG-CE2 3.89Å; R327-F331 VanDerWaalsContact O-CD2 3.3Å; R327-F331 WeakPolarHBondContact O-CD2 3.03Å; R327-F331 PolarHBondContact O-N 3.32Å; R327-E349 WeakPolarHBondContact CD-OE2 3.44Å; R327-E349 WeakPolarHBondContact CG-OE2 3.03Å; R327-E349 IonicContact CZ-OE1 3.57Å; R327-E349 VanDerWaalsContact CZ-OE1 3.27Å; R327-E349 IonicContact CZ-OE2 3.46Å; R327-E349 VanDerWaalsContact NE-CD 3.28Å; R327-E349 IonicContact NE-OE1 3.38Å; R327-E349 PolarHBondContact NE-OE1 3.23Å; R327-E349 IonicContact NE-OE2 3.94Å; R327-E349 PolarHBondContact NE-OE2 3.32Å; R327-E349 IonicContact NH2-OE1 2.92Å; R327-E349 PolarHBondContact NH2-OE1 2.7Å; R327-E349 IonicContact NH2-OE2 3.84Å
328	F	96.9	Very high	95.5	Very high	10 Å²	10	61 Å²	61	4%	0.044	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-47.8	174.6	-172.1	-80.6	0	0	0	111.9	I302 W307 F323 D324 Y325 K330 F331 A332 T345 L353	I302-F328 HydrophobicContact CG2-CE2 4.48Å; I302-F328 HydrophobicContact CG2-CZ 4.36Å; W307-F328 AromaticContact CH2-CD1 3.26Å; W307-F328 HydrophobicContact CH2-CD1 3.26Å; W307-F328 AromaticContact CH2-CE1 3.51Å; W307-F328 HydrophobicContact CH2-CE1 3.51Å; W307-F328 HydrophobicContact CH2-CG 4.2Å; W307-F328 AromaticContact CZ2-CD1 3.35Å; W307-F328 HydrophobicContact CZ2-CD1 3.35Å; W307-F328 AromaticContact CZ2-CE1 3.48Å; W307-F328 HydrophobicContact CZ2-CE1 3.48Å; W307-F328 VanDerWaalsContact CZ2-CE1 3.48Å; W307-F328 AromaticContact CZ2-CG 3.98Å; W307-F328 HydrophobicContact CZ2-CG 3.98Å; W307-F328 HydrophobicContact CZ2-CZ 4.19Å; W307-F328 HydrophobicContact CZ3-CD1 4.3Å; F323-F328 HydrophobicContact CE2-CB 4.48Å; F323-F328 HydrophobicContact CZ-CB 4.22Å; D324-F328 PolarHBondContact O-N 3.33Å; Y325-F328 WeakPolarHBondContact O-CB 3.3Å; Y325-F328 PolarHBondContact O-N 2.91Å; F328-K330 PolarHBondContact O-N 3.24Å; F328-K330 VanDerWaalsContact O-N 3.14Å; F328-F331 CarbonylContact O-C 3.51Å; F328-F331 PolarHBondContact O-N 3.2Å; F328-A332 HydrophobicContact CD1-CB 4.32Å; F328-A332 HydrophobicContact CE1-CB 4.05Å; F328-A332 PolarHBondContact O-N 2.64Å; F328-T345 HydrophobicContact CE2-CG2 4.04Å; F328-L353 HydrophobicContact CD2-CD2 3.89Å; F328-L353 HydrophobicContact CE2-CD2 3.76Å
329	L	95.1	Very high	95.1	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-53.5	-36.1	177.2	-73.3	173.5	0	0	0	113.2	R170 L171 K178 W307 Y325 R327	R170-L329 HydrophobicContact CB-CD1 4.17Å; L171-L329 VanDerWaalsContact CA-CD2 3.47Å; L171-L329 HydrophobicContact CB-CD2 3.69Å; L171-L329 HydrophobicContact CD1-CD2 3.78Å; L171-L329 HydrophobicContact CG-CD2 4.31Å; K178-L329 PolarHBondContact NZ-O 3.01Å; W307-L329 HydrophobicContact CH2-CD2 4.48Å; W307-L329 HydrophobicContact CZ3-CD2 3.81Å; W307-L329 HydrophobicContact CZ3-CG 4.22Å; Y325-L329 HydrophobicContact CD2-CD1 4.17Å; Y325-L329 WeakPolarHBondContact O-CG 3.47Å; Y325-L329 PolarHBondContact O-N 2.74Å; R327-L329 PolarHBondContact O-N 3.3Å
330	K	94.8	Very high	94.9	Very high	156 Å²	156	61.2 Å²	61.2	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-72.8	-29.4	177.9	-71.1	-176	179.2	-174.7	0	113.2	K178 R326 R327 F328	K178-K330 VanDerWaalsContact CE-O 3.24Å; K178-K330 WeakPolarHBondContact CE-O 3.19Å; R326-K330 PolarHBondContact O-N 2.9Å; R327-K330 PolarHBondContact O-N 3.33Å; F328-K330 PolarHBondContact O-N 3.24Å; F328-K330 VanDerWaalsContact O-N 3.14Å
331	F	97	Very high	95	Very high	42 Å²	42	56.5 Å²	56.5	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-105.2	4.4	-178.1	-66.7	-61.8	0	0	0	113.9	R327 F328 T345 R346 E349 Y516	R327-F331 HydrophobicContact CG-CD2 3.96Å; R327-F331 HydrophobicContact CG-CE2 3.89Å; R327-F331 VanDerWaalsContact O-CD2 3.3Å; R327-F331 WeakPolarHBondContact O-CD2 3.03Å; R327-F331 PolarHBondContact O-N 3.32Å; F328-F331 CarbonylContact O-C 3.51Å; F328-F331 PolarHBondContact O-N 3.2Å; F331-T345 WeakPolarHBondContact O-CA 3.42Å; F331-R346 HydrophobicContact CB-CB 3.94Å; F331-R346 HydrophobicContact CD1-CB 4.01Å; F331-R346 HydrophobicContact CG-CB 4.14Å; F331-R346 PolarHBondContact O-N 3.36Å; F331-E349 HydrophobicContact CB-CG 3.97Å; F331-E349 VanDerWaalsContact CD2-CD 3.48Å; F331-E349 HydrophobicContact CD2-CG 3.8Å; F331-E349 WeakPolarHBondContact CD2-OE1 3.29Å; F331-E349 HydrophobicContact CG-CG 4.03Å; F331-Y516 WeakPolarHBondContact O-CE1 3.4Å; F331-Y516 PolarHBondContact O-OH 2.97Å
332	A	97.4	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.5	172.2	0	0	0	0	0	111	L171 L175 F328 I343 C344	L171-A332 HydrophobicContact CD1-CB 3.97Å; L175-A332 HydrophobicContact CD2-CB 3.99Å; F328-A332 HydrophobicContact CD1-CB 4.32Å; F328-A332 HydrophobicContact CE1-CB 4.05Å; F328-A332 PolarHBondContact O-N 2.64Å; A332-I343 HydrophobicContact CB-CG2 4.47Å; A332-C344 WeakPolarHBondContact CA-O 3.49Å
333	R	97.4	Very high	95.3	Very high	54 Å²	54	52.7 Å²	52.7	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	166.4	170.9	-67.7	-168.3	76.9	83	0.7	109.6	K178 Q179 I343 C344 Y516	K178-R333 PolarHBondContact O-NH2 3.09Å; Q179-R333 VanDerWaalsContact OE1-CA 3.28Å; R333-I343 WeakPolarHBondContact O-CA 3.44Å; R333-C344 PolarHBondContact N-O 3.21Å; R333-C344 PolarHBondContact O-N 3.14Å; R333-Y516 HydrophobicContact CB-CD1 4.16Å; R333-Y516 HydrophobicContact CB-CE1 3.78Å; R333-Y516 HydrophobicContact CG-CD1 4.46Å; R333-Y516 HydrophobicContact CG-CE1 3.7Å
334	V	97.7	Very high	95.3	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.3	171.4	179.7	0	0	0	0	109	L175 Q179 L182 F290 K341 H342	L175-V334 HydrophobicContact CD1-CG2 4.12Å; L175-V334 HydrophobicContact CD2-CG2 4.12Å; Q179-V334 PolarHBondContact NE2-O 2.95Å; L182-V334 HydrophobicContact CD1-CB 3.79Å; L182-V334 HydrophobicContact CD1-CG1 4.48Å; L182-V334 HydrophobicContact CD1-CG2 3.58Å; L182-V334 HydrophobicContact CD2-CB 3.96Å; L182-V334 HydrophobicContact CD2-CG1 3.86Å; L182-V334 HydrophobicContact CD2-CG2 4.46Å; F290-V334 HydrophobicContact CB-CG1 4.06Å; F290-V334 HydrophobicContact CB-CG2 4.02Å; F290-V334 HydrophobicContact CD1-CG1 3.83Å; F290-V334 HydrophobicContact CD1-CG2 4.28Å; F290-V334 HydrophobicContact CD2-CG2 3.69Å; F290-V334 HydrophobicContact CE1-CG1 4.48Å; F290-V334 HydrophobicContact CE2-CG2 4.22Å; F290-V334 HydrophobicContact CG-CG1 3.94Å; F290-V334 HydrophobicContact CG-CG2 3.73Å; V334-K341 HydrophobicContact CG1-CB 3.59Å; V334-K341 HydrophobicContact CG1-CD 4.12Å; V334-K341 HydrophobicContact CG1-CG 4.08Å; V334-H342 WeakPolarHBondContact CA-O 3.43Å
335	C	97.2	Very high	95.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.6	175.2	-55.2	0	0	0	0	109.8	H342 C344 T522 A524	C335-H342 PolarHBondContact N-O 2.71Å; C335-H342 VanDerWaalsContact N-O 3.07Å; C335-H342 PolarHBondContact O-N 3.39Å; C335-C344 HydrophobicContact CB-CB 4.39Å; C335-T522 WeakPolarHBondContact CB-O 2.98Å; C335-A524 HydrophobicContact CB-CB 4.02Å
336	E	95.5	Very high	95.4	Very high	135 Å²	135	51 Å²	51	63%	0.631	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.7	174.4	-167.9	171.1	168.5	0	0	110.8	Q340	E336-Q340 CarbonylContact C-O 3.13Å; E336-Q340 WeakPolarHBondContact CA-O 3.44Å
337	V	93.1	Very high	95.5	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.8	179.7	-164.1	0	0	0	0	107.9	G339 Q340 H342 R514 A524	V337-G339 PolarHBondContact O-N 3.11Å; V337-G339 VanDerWaalsContact O-N 3.11Å; V337-Q340 PolarHBondContact N-O 3.4Å; V337-Q340 PolarHBondContact O-N 2.91Å; V337-Q340 VanDerWaalsContact O-O 3.08Å; V337-H342 HydrophobicContact CG2-CB 4.36Å; V337-R514 HydrophobicContact CG2-CG 4.25Å; V337-A524 HydrophobicContact CG2-CB 3.4Å; V337-A524 VanDerWaalsContact CG2-CB 3.4Å
338	D	89.2	Confident	95.4	Very high	135 Å²	135	45.9 Å²	45.9	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.9	176.5	-50.3	-39.5	0	0	0	112.4	Q340 R514	D338-Q340 VanDerWaalsContact C-N 3.3Å; D338-Q340 PolarHBondContact O-N 2.94Å; D338-R514 IonicContact OD2-NH2 2.72Å; D338-R514 PolarHBondContact OD2-NH2 2.9Å
339	G	87.7	Confident	95.4	Very high	37 Å²	37	45.4 Å²	45.4	38%	0.381	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	16.3	-179	0	0	0	0	0	115.2	K286 V337	K286-G339 WeakPolarHBondContact CE-O 3.24Å; K286-G339 PolarHBondContact NZ-O 2.65Å; V337-G339 PolarHBondContact O-N 3.11Å; V337-G339 VanDerWaalsContact O-N 3.11Å
340	Q	92.1	Very high	95.4	Very high	67 Å²	67	45.5 Å²	45.5	31%	0.313	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	174.8	-74.2	-178.2	58.1	0	0	110.9	K286 E336 V337 D338 H342	K286-Q340 HydrophobicContact CD-CG 4.22Å; K286-Q340 HydrophobicContact CG-CG 4.04Å; E336-Q340 CarbonylContact C-O 3.13Å; E336-Q340 WeakPolarHBondContact CA-O 3.44Å; V337-Q340 PolarHBondContact N-O 3.4Å; V337-Q340 PolarHBondContact O-N 2.91Å; V337-Q340 VanDerWaalsContact O-O 3.08Å; D338-Q340 VanDerWaalsContact C-N 3.3Å; D338-Q340 PolarHBondContact O-N 2.94Å; Q340-H342 WeakPolarHBondContact CB-NE2 3.36Å
341	K	95.4	Very high	95.3	Very high	57 Å²	57	39.6 Å²	39.6	25%	0.248	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.4	175.4	-75.7	-174.4	-168.8	166.5	0	110	L182 D287 S289 F290 V334	L182-K341 HydrophobicContact CD2-CD 3.94Å; D287-K341 WeakPolarHBondContact O-CD 3.19Å; S289-K341 PolarHBondContact OG-N 2.99Å; S289-K341 VanDerWaalsContact OG-N 3.09Å; S289-K341 PolarHBondContact OG-O 3.36Å; F290-K341 HydrophobicContact CD1-CB 3.83Å; F290-K341 HydrophobicContact CD1-CD 4.33Å; F290-K341 HydrophobicContact CE1-CD 4.37Å; F290-K341 PolarHBondContact N-O 2.91Å; V334-K341 HydrophobicContact CG1-CB 3.59Å; V334-K341 HydrophobicContact CG1-CD 4.12Å; V334-K341 HydrophobicContact CG1-CG 4.08Å
342	H	97	Very high	95.3	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.102	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.5	-178.3	-69.3	-77.9	0	0	0	111.5	E293 V334 C335 V337 Q340 C344	E293-H342 IonicContact OE1-CE1 2.69Å; E293-H342 IonicContact OE1-CG 3.73Å; E293-H342 IonicContact OE1-ND1 2.75Å; E293-H342 PolarHBondContact OE1-ND1 3.46Å; V334-H342 WeakPolarHBondContact CA-O 3.43Å; C335-H342 PolarHBondContact N-O 2.71Å; C335-H342 VanDerWaalsContact N-O 3.07Å; C335-H342 PolarHBondContact O-N 3.39Å; V337-H342 HydrophobicContact CG2-CB 4.36Å; Q340-H342 WeakPolarHBondContact CB-NE2 3.36Å; H342-C344 PolarHBondContact O-N 3.4Å; H342-C344 PolarHBondContact O-SG 2.9Å
343	I	97.7	Very high	95.1	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.8	168.5	-56.8	-179.1	0	0	0	107.7	L171 L175 F290 E293 I294 R299 A332 R333	L171-I343 HydrophobicContact CD2-CD1 4.23Å; L175-I343 HydrophobicContact CD1-CD1 4.1Å; L175-I343 HydrophobicContact CD1-CG1 4.26Å; F290-I343 HydrophobicContact CB-CG1 4.04Å; E293-I343 HydrophobicContact CB-CD1 3.91Å; E293-I343 HydrophobicContact CB-CG1 4.19Å; E293-I343 PolarHBondContact OE2-N 3.38Å; I294-I343 HydrophobicContact CG1-CD1 3.82Å; R299-I343 PolarHBondContact NH2-O 3.22Å; A332-I343 HydrophobicContact CB-CG2 4.47Å; R333-I343 WeakPolarHBondContact O-CA 3.44Å
344	C	97.5	Very high	94.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.9	177.4	-59.5	0	0	0	0	109.4	A332 R333 C335 H342 R514 Y516	A332-C344 WeakPolarHBondContact CA-O 3.49Å; R333-C344 PolarHBondContact N-O 3.21Å; R333-C344 PolarHBondContact O-N 3.14Å; C335-C344 HydrophobicContact CB-CB 4.39Å; H342-C344 PolarHBondContact O-N 3.4Å; H342-C344 PolarHBondContact O-SG 2.9Å; C344-R514 WeakPolarHBondContact CA-O 3.37Å; C344-R514 HydrophobicContact CB-CB 4.44Å; C344-R514 WeakPolarHBondContact CB-O 3.46Å; C344-R514 WeakPolarHBondContact SG-CB 2.98Å; C344-Y516 HydrophobicContact CB-CD1 4.23Å
345	T	97.1	Very high	94.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.9	174.1	-166.9	0	0	0	0	110.9	F328 F331 D347 E349 L353 R514 F515 Y516	F328-T345 HydrophobicContact CE2-CG2 4.04Å; F331-T345 WeakPolarHBondContact O-CA 3.42Å; T345-D347 PolarHBondContact O-N 2.99Å; T345-E349 HydrophobicContact CG2-CB 4.32Å; T345-L353 HydrophobicContact CG2-CD1 3.94Å; T345-R514 PolarHBondContact N-O 3.35Å; T345-F515 HydrophobicContact CG2-CD1 3.58Å; T345-F515 HydrophobicContact CG2-CE1 3.62Å; T345-F515 CarbonylContact O-C 3.35Å; T345-F515 WeakPolarHBondContact O-CA 3.4Å; T345-Y516 WeakPolarHBondContact O-CD1 3.5Å; T345-Y516 PolarHBondContact O-N 2.68Å
346	R	97.4	Very high	94.7	Very high	55 Å²	55	39.3 Å²	39.3	21%	0.208	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138.4	178.8	-170.9	174.7	168.2	-176.4	0.9	110.9	F331 K348 E349 Y516	F331-R346 HydrophobicContact CB-CB 3.94Å; F331-R346 HydrophobicContact CD1-CB 4.01Å; F331-R346 HydrophobicContact CG-CB 4.14Å; F331-R346 PolarHBondContact O-N 3.36Å; R346-K348 VanDerWaalsContact C-N 3.27Å; R346-K348 HydrophobicContact CG-CG 4.03Å; R346-K348 PolarHBondContact O-N 3.47Å; R346-K348 VanDerWaalsContact O-N 3.13Å; R346-E349 HydrophobicContact CB-CG 4.18Å; R346-E349 VanDerWaalsContact O-CB 3.26Å; R346-E349 WeakPolarHBondContact O-CB 3.41Å; R346-E349 PolarHBondContact O-N 3.42Å; R346-Y516 HydrophobicContact CB-CE1 4.19Å; R346-Y516 HydrophobicContact CB-CE2 4.11Å; R346-Y516 HydrophobicContact CG-CE2 4.15Å
347	D	95.6	Very high	94.5	Very high	42 Å²	42	33 Å²	33	23%	0.225	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-43.1	-44.9	179	55.4	2.5	0	0	0	115.5	T345 E349 V350 Y516 I525 I527	T345-D347 PolarHBondContact O-N 2.99Å; D347-E349 PolarHBondContact O-N 2.9Å; D347-E349 VanDerWaalsContact O-N 3.1Å; D347-V350 WeakPolarHBondContact O-CG1 3.18Å; D347-V350 PolarHBondContact O-N 3.02Å; D347-Y516 PolarHBondContact N-O 3.42Å; D347-I525 HydrophobicContact CB-CD1 4.46Å; D347-I527 HydrophobicContact CB-CD1 3.91Å
348	K	94.8	Very high	94.5	Very high	97 Å²	97	37.1 Å²	37.1	42%	0.422	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-65.2	-12	178.9	72.8	172.2	-170.2	167.5	0	114.7	R346 V350	R346-K348 VanDerWaalsContact C-N 3.27Å; R346-K348 HydrophobicContact CG-CG 4.03Å; R346-K348 PolarHBondContact O-N 3.47Å; R346-K348 VanDerWaalsContact O-N 3.13Å; K348-V350 VanDerWaalsContact C-N 3.29Å
349	E	95.8	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-87.6	1.5	180	-58.2	-61.7	124.6	0	0	112.4	R327 F331 T345 R346 D347 G351 N352 L353	R327-E349 WeakPolarHBondContact CD-OE2 3.44Å; R327-E349 WeakPolarHBondContact CG-OE2 3.03Å; R327-E349 IonicContact CZ-OE1 3.57Å; R327-E349 VanDerWaalsContact CZ-OE1 3.27Å; R327-E349 IonicContact CZ-OE2 3.46Å; R327-E349 VanDerWaalsContact NE-CD 3.28Å; R327-E349 IonicContact NE-OE1 3.38Å; R327-E349 PolarHBondContact NE-OE1 3.23Å; R327-E349 IonicContact NE-OE2 3.94Å; R327-E349 PolarHBondContact NE-OE2 3.32Å; R327-E349 IonicContact NH2-OE1 2.92Å; R327-E349 PolarHBondContact NH2-OE1 2.7Å; R327-E349 IonicContact NH2-OE2 3.84Å; F331-E349 HydrophobicContact CB-CG 3.97Å; F331-E349 VanDerWaalsContact CD2-CD 3.48Å; F331-E349 HydrophobicContact CD2-CG 3.8Å; F331-E349 WeakPolarHBondContact CD2-OE1 3.29Å; F331-E349 HydrophobicContact CG-CG 4.03Å; T345-E349 HydrophobicContact CG2-CB 4.32Å; R346-E349 HydrophobicContact CB-CG 4.18Å; R346-E349 VanDerWaalsContact O-CB 3.26Å; R346-E349 WeakPolarHBondContact O-CB 3.41Å; R346-E349 PolarHBondContact O-N 3.42Å; D347-E349 PolarHBondContact O-N 2.9Å; D347-E349 VanDerWaalsContact O-N 3.1Å; E349-G351 PolarHBondContact O-N 3.03Å; E349-N352 WeakPolarHBondContact O-CB 3.29Å; E349-N352 PolarHBondContact O-N 3.48Å; E349-N352 VanDerWaalsContact O-N 3.1Å; E349-L353 PolarHBondContact O-N 2.63Å; E349-L353 VanDerWaalsContact O-N 3.12Å
350	V	95.2	Very high	95.1	Very high	18 Å²	18	30.8 Å²	30.8	11%	0.109	15%	0.152	C	C	.	.	H	α-helix	trans	-54.9	-37.4	176	67.1	0	0	0	0	112.6	D347 K348 L353 Y354 I510 F515 I527 V532	D347-V350 WeakPolarHBondContact O-CG1 3.18Å; D347-V350 PolarHBondContact O-N 3.02Å; K348-V350 VanDerWaalsContact C-N 3.29Å; V350-L353 PolarHBondContact O-N 3Å; V350-Y354 HydrophobicContact CG2-CD2 4.06Å; V350-Y354 HydrophobicContact CG2-CE2 3.87Å; V350-Y354 VanDerWaalsContact O-CD2 3.31Å; V350-Y354 WeakPolarHBondContact O-CD2 3.25Å; V350-Y354 PolarHBondContact O-N 3.42Å; V350-Y354 VanDerWaalsContact O-N 3.08Å; V350-I510 HydrophobicContact CG2-CG2 4.21Å; V350-F515 HydrophobicContact CB-CE1 3.89Å; V350-F515 HydrophobicContact CB-CZ 4.04Å; V350-F515 HydrophobicContact CG2-CE1 4.29Å; V350-F515 HydrophobicContact CG2-CZ 3.91Å; V350-I527 HydrophobicContact CB-CD1 4.34Å; V350-I527 HydrophobicContact CG2-CG2 4.29Å; V350-V532 HydrophobicContact CG1-CG1 4.19Å; V350-V532 HydrophobicContact CG1-CG2 4.12Å; V350-V532 HydrophobicContact CG2-CG1 4.33Å; V350-V532 HydrophobicContact CG2-CG2 3.64Å
351	G	94.4	Very high	95.1	Very high	32 Å²	32	28.3 Å²	28.3	33%	0.33	14%	0.14	S	C	.	.	H	α-helix	trans	-62.4	-47.3	175	0	0	0	0	0	112.7	E349 L353 Y354 D355	E349-G351 PolarHBondContact O-N 3.03Å; G351-L353 PolarHBondContact O-N 3.08Å; G351-Y354 WeakPolarHBondContact O-CB 3.37Å; G351-Y354 PolarHBondContact O-N 3.24Å; G351-D355 PolarHBondContact O-N 2.87Å
352	N	95.8	Very high	95	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-35.2	177	-171.7	33.5	0	0	0	111.5	F323 D324 E349 D355 M356	F323-N352 WeakPolarHBondContact CD2-O 3.39Å; F323-N352 WeakPolarHBondContact CD2-OD1 3.3Å; D324-N352 PolarHBondContact N-OD1 2.93Å; D324-N352 PolarHBondContact O-ND2 2.64Å; D324-N352 VanDerWaalsContact O-ND2 3.14Å; E349-N352 WeakPolarHBondContact O-CB 3.29Å; E349-N352 PolarHBondContact O-N 3.48Å; E349-N352 VanDerWaalsContact O-N 3.1Å; N352-D355 WeakPolarHBondContact O-CB 3.43Å; N352-D355 PolarHBondContact O-N 3.12Å; N352-M356 PolarHBondContact O-N 2.65Å
353	L	94.6	Very high	94.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-36.9	174.4	-67.9	-174.3	0	0	0	113.3	I302 F323 F328 T345 E349 V350 G351 D355 M356 F357 I510 V513 F515	I302-L353 HydrophobicContact CD1-CD1 3.94Å; I302-L353 HydrophobicContact CD1-CD2 3.86Å; I302-L353 HydrophobicContact CD1-CG 4.47Å; F323-L353 HydrophobicContact CE2-CD2 4.43Å; F328-L353 HydrophobicContact CD2-CD2 3.89Å; F328-L353 HydrophobicContact CE2-CD2 3.76Å; T345-L353 HydrophobicContact CG2-CD1 3.94Å; E349-L353 PolarHBondContact O-N 2.63Å; E349-L353 VanDerWaalsContact O-N 3.12Å; V350-L353 PolarHBondContact O-N 3Å; G351-L353 PolarHBondContact O-N 3.08Å; L353-D355 VanDerWaalsContact C-N 3.31Å; L353-M356 VanDerWaalsContact O-CB 3.27Å; L353-M356 WeakPolarHBondContact O-CB 3.49Å; L353-M356 PolarHBondContact O-N 3.09Å; L353-F357 WeakPolarHBondContact O-CD2 3.29Å; L353-F357 PolarHBondContact O-N 3.26Å; L353-I510 HydrophobicContact CB-CD1 3.5Å; L353-I510 HydrophobicContact CD1-CD1 4.15Å; L353-I510 HydrophobicContact CG-CD1 4.5Å; L353-V513 HydrophobicContact CD1-CG1 3.76Å; L353-V513 HydrophobicContact CD1-CG2 4.32Å; L353-F515 HydrophobicContact CD1-CE1 3.93Å; L353-F515 HydrophobicContact CD1-CZ 3.96Å
354	Y	93.3	Very high	94.8	Very high	15 Å²	15	26.3 Å²	26.3	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-39	170.6	-85	-69.9	0	0	0	111.6	V350 G351 M356 F357 H358 N508 I510 V532 L536	V350-Y354 HydrophobicContact CG2-CD2 4.06Å; V350-Y354 HydrophobicContact CG2-CE2 3.87Å; V350-Y354 VanDerWaalsContact O-CD2 3.31Å; V350-Y354 WeakPolarHBondContact O-CD2 3.25Å; V350-Y354 PolarHBondContact O-N 3.42Å; V350-Y354 VanDerWaalsContact O-N 3.08Å; G351-Y354 WeakPolarHBondContact O-CB 3.37Å; G351-Y354 PolarHBondContact O-N 3.24Å; Y354-M356 VanDerWaalsContact C-N 3.25Å; Y354-M356 PolarHBondContact O-N 2.77Å; Y354-F357 PolarHBondContact O-N 2.98Å; Y354-H358 VanDerWaalsContact O-CB 3.31Å; Y354-H358 WeakPolarHBondContact O-CB 3.24Å; Y354-H358 PolarHBondContact O-N 2.9Å; Y354-N508 PolarHBondContact OH-ND2 2.82Å; Y354-I510 HydrophobicContact CD1-CG1 4.29Å; Y354-I510 HydrophobicContact CD2-CG1 4.42Å; Y354-I510 HydrophobicContact CE1-CG1 3.9Å; Y354-I510 HydrophobicContact CE2-CG1 4.01Å; Y354-I510 HydrophobicContact CE2-CG2 4.24Å; Y354-V532 HydrophobicContact CD2-CG1 4.05Å; Y354-V532 HydrophobicContact CE2-CB 4.25Å; Y354-V532 HydrophobicContact CE2-CG1 3.87Å; Y354-V532 HydrophobicContact CE2-CG2 4.15Å; Y354-L536 HydrophobicContact CD1-CD1 4.5Å; Y354-L536 HydrophobicContact CD1-CD2 3.64Å; Y354-L536 HydrophobicContact CD2-CD1 4.26Å; Y354-L536 HydrophobicContact CD2-CD2 4.11Å; Y354-L536 HydrophobicContact CE1-CD1 3.92Å; Y354-L536 HydrophobicContact CE1-CD2 3.81Å; Y354-L536 HydrophobicContact CE1-CG 4.36Å; Y354-L536 HydrophobicContact CE2-CD1 3.66Å; Y354-L536 HydrophobicContact CE2-CD2 4.28Å; Y354-L536 HydrophobicContact CG-CD2 3.8Å; Y354-L536 VanDerWaalsContact CZ-CD1 3.46Å
355	D	94.1	Very high	94.5	Very high	69 Å²	69	32.3 Å²	32.3	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-61.2	-35.2	174	-65.1	-32.4	0	0	0	111.9	N322 G351 N352 L353 T359	N322-D355 HydrophobicContact CB-CB 4.37Å; G351-D355 PolarHBondContact O-N 2.87Å; N352-D355 WeakPolarHBondContact O-CB 3.43Å; N352-D355 PolarHBondContact O-N 3.12Å; L353-D355 VanDerWaalsContact C-N 3.31Å; D355-T359 VanDerWaalsContact O-CB 3.32Å; D355-T359 WeakPolarHBondContact O-CB 3.43Å; D355-T359 PolarHBondContact O-N 2.73Å; D355-T359 PolarHBondContact O-OG1 3.19Å
356	M	95.1	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-53.7	173.4	-165.5	-170	77.3	0	0	112	I302 F310 F323 N352 L353 Y354 H358 T359 R360	I302-M356 HydrophobicContact CB-CE 4.36Å; I302-M356 HydrophobicContact CD1-CE 4.45Å; I302-M356 HydrophobicContact CG1-CE 3.78Å; I302-M356 HydrophobicContact CG2-CE 4.3Å; I302-M356 HydrophobicContact CG2-SD 4.21Å; F310-M356 HydrophobicContact CD2-CG 3.92Å; F310-M356 HydrophobicContact CE2-CG 3.53Å; F310-M356 HydrophobicContact CE2-SD 4.27Å; F323-M356 HydrophobicContact CB-CB 4.1Å; F323-M356 HydrophobicContact CB-CG 4.28Å; F323-M356 HydrophobicContact CD1-CB 4.43Å; F323-M356 HydrophobicContact CD1-CG 3.91Å; F323-M356 HydrophobicContact CD1-SD 4.44Å; F323-M356 HydrophobicContact CD2-CB 3.57Å; F323-M356 HydrophobicContact CD2-CG 3.91Å; F323-M356 HydrophobicContact CE1-CG 4.19Å; F323-M356 HydrophobicContact CE1-SD 4.12Å; F323-M356 HydrophobicContact CE2-CB 4.06Å; F323-M356 HydrophobicContact CE2-CG 4.18Å; F323-M356 HydrophobicContact CE2-SD 4.18Å; F323-M356 HydrophobicContact CG-CB 3.76Å; F323-M356 HydrophobicContact CG-CG 3.75Å; F323-M356 HydrophobicContact CZ-CG 4.32Å; F323-M356 HydrophobicContact CZ-SD 3.98Å; N352-M356 PolarHBondContact O-N 2.65Å; L353-M356 VanDerWaalsContact O-CB 3.27Å; L353-M356 WeakPolarHBondContact O-CB 3.49Å; L353-M356 PolarHBondContact O-N 3.09Å; Y354-M356 VanDerWaalsContact C-N 3.25Å; Y354-M356 PolarHBondContact O-N 2.77Å; M356-H358 VanDerWaalsContact C-N 3.32Å; M356-H358 PolarHBondContact O-N 2.86Å; M356-T359 WeakPolarHBondContact O-CB 3.3Å; M356-T359 PolarHBondContact O-N 3.16Å; M356-R360 PolarHBondContact O-N 3.38Å
357	F	92.9	Very high	94.3	Very high	3 Å²	3	37 Å²	37	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-69.8	-30.7	-179.8	-66.9	-67	0	0	0	112.7	I302 L353 Y354 R360 N361 Y502 P509 I510	I302-F357 HydrophobicContact CD1-CE2 4.38Å; I302-F357 HydrophobicContact CD1-CZ 4.32Å; I302-F357 HydrophobicContact CG1-CE2 4.44Å; I302-F357 HydrophobicContact CG1-CZ 3.92Å; L353-F357 WeakPolarHBondContact O-CD2 3.29Å; L353-F357 PolarHBondContact O-N 3.26Å; Y354-F357 PolarHBondContact O-N 2.98Å; F357-R360 WeakPolarHBondContact O-CB 3.4Å; F357-R360 PolarHBondContact O-N 3.17Å; F357-N361 PolarHBondContact O-N 3.42Å; F357-Y502 HydrophobicContact CB-CD1 3.56Å; F357-Y502 HydrophobicContact CB-CE1 4.03Å; F357-Y502 HydrophobicContact CB-CG 4.39Å; F357-Y502 WeakPolarHBondContact CD1-O 3.36Å; F357-Y502 WeakPolarHBondContact CE1-O 3.12Å; F357-Y502 HydrophobicContact CG-CD1 4.41Å; F357-P509 HydrophobicContact CD1-CB 4.34Å; F357-P509 HydrophobicContact CD1-CG 3.64Å; F357-P509 HydrophobicContact CD2-CB 4.47Å; F357-P509 HydrophobicContact CD2-CG 3.64Å; F357-P509 HydrophobicContact CE1-CB 3.65Å; F357-P509 HydrophobicContact CE1-CG 3.46Å; F357-P509 VanDerWaalsContact CE1-CG 3.46Å; F357-P509 HydrophobicContact CE2-CB 3.82Å; F357-P509 HydrophobicContact CE2-CG 3.48Å; F357-P509 VanDerWaalsContact CE2-CG 3.48Å; F357-P509 HydrophobicContact CG-CG 3.74Å; F357-P509 HydrophobicContact CZ-CB 3.36Å; F357-P509 HydrophobicContact CZ-CG 3.39Å; F357-I510 HydrophobicContact CD2-CD1 3.91Å; F357-I510 HydrophobicContact CD2-CG1 4.29Å; F357-I510 HydrophobicContact CE2-CD1 3.64Å; F357-I510 HydrophobicContact CE2-CG1 4.25Å
358	H	92.3	Very high	94.3	Very high	96 Å²	96	36.7 Å²	36.7	44%	0.444	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-43.8	170.5	-176.7	79	0	0	0	111.5	Y354 M356 R360 N361 C362	Y354-H358 VanDerWaalsContact O-CB 3.31Å; Y354-H358 WeakPolarHBondContact O-CB 3.24Å; Y354-H358 PolarHBondContact O-N 2.9Å; M356-H358 VanDerWaalsContact C-N 3.32Å; M356-H358 PolarHBondContact O-N 2.86Å; H358-R360 VanDerWaalsContact C-N 3.33Å; H358-R360 PolarHBondContact O-N 2.98Å; H358-N361 PolarHBondContact O-N 2.65Å; H358-C362 WeakPolarHBondContact O-CB 3.42Å; H358-C362 PolarHBondContact O-N 3.41Å
359	T	94.4	Very high	94.3	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-43.5	175.1	-60.1	0	0	0	0	110.7	F310 D355 M356 N361 C362 L363	F310-T359 HydrophobicContact CB-CG2 4.43Å; F310-T359 HydrophobicContact CG-CG2 4.44Å; D355-T359 VanDerWaalsContact O-CB 3.32Å; D355-T359 WeakPolarHBondContact O-CB 3.43Å; D355-T359 PolarHBondContact O-N 2.73Å; D355-T359 PolarHBondContact O-OG1 3.19Å; M356-T359 WeakPolarHBondContact O-CB 3.3Å; M356-T359 PolarHBondContact O-N 3.16Å; T359-N361 PolarHBondContact O-N 3.27Å; T359-C362 WeakPolarHBondContact O-CB 3.44Å; T359-C362 PolarHBondContact O-N 3.32Å; T359-L363 HydrophobicContact CG2-CD1 4.06Å; T359-L363 HydrophobicContact CG2-CG 4.49Å; T359-L363 WeakPolarHBondContact O-CG 3.44Å; T359-L363 PolarHBondContact O-N 3.4Å
360	R	94	Very high	94.3	Very high	35 Å²	35	36.4 Å²	36.4	13%	0.132	17%	0.17	C	C	.	.	H	α-helix	trans	-54.4	-53.8	172.4	-173.7	179.1	176.3	-91.6	9.9	111.6	F310 M356 F357 H358 C362 L363 H364 D501	F310-R360 HydrophobicContact CE1-CB 3.75Å; F310-R360 HydrophobicContact CE1-CG 3.94Å; F310-R360 HydrophobicContact CE2-CB 4.46Å; F310-R360 HydrophobicContact CZ-CB 3.53Å; F310-R360 HydrophobicContact CZ-CG 3.9Å; M356-R360 PolarHBondContact O-N 3.38Å; F357-R360 WeakPolarHBondContact O-CB 3.4Å; F357-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact C-N 3.33Å; H358-R360 PolarHBondContact O-N 2.98Å; R360-C362 VanDerWaalsContact C-N 3.28Å; R360-C362 PolarHBondContact O-N 2.95Å; R360-L363 PolarHBondContact O-N 2.74Å; R360-H364 PolarHBondContact O-CD2 3.49Å; R360-H364 VanDerWaalsContact O-CD2 3.27Å; R360-H364 PolarHBondContact O-N 3.11Å; R360-D501 IonicContact CZ-OD1 2.87Å; R360-D501 VanDerWaalsContact CZ-OD1 3.3Å; R360-D501 VanDerWaalsContact NH1-C 3.33Å; R360-D501 PolarHBondContact NH1-O 2.8Å; R360-D501 IonicContact NH1-OD1 3.36Å; R360-D501 PolarHBondContact NH1-OD1 3.3Å; R360-D501 IonicContact NH2-OD1 3.23Å; R360-D501 PolarHBondContact NH2-OD1 3.08Å
361	N	92.1	Very high	94.3	Very high	14 Å²	14	40.9 Å²	40.9	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-41.1	179.2	-179.3	43.5	0	0	0	111.8	F357 H358 T359 H364 R365 Y502	F357-N361 PolarHBondContact O-N 3.42Å; H358-N361 PolarHBondContact O-N 2.65Å; T359-N361 PolarHBondContact O-N 3.27Å; N361-H364 PolarHBondContact O-N 2.82Å; N361-R365 WeakPolarHBondContact O-CB 3.49Å; N361-R365 WeakPolarHBondContact O-CG 3.16Å; N361-R365 PolarHBondContact O-N 3.48Å; N361-R365 PolarHBondContact OD1-NE 3.26Å; N361-Y502 HydrophobicContact CB-CE2 4.13Å
362	C	94	Very high	94.4	Very high	21 Å²	21	41 Å²	41	14%	0.142	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-48.6	176.4	-172.4	0	0	0	0	112	H358 T359 R360 R365 R366	H358-C362 WeakPolarHBondContact O-CB 3.42Å; H358-C362 PolarHBondContact O-N 3.41Å; T359-C362 WeakPolarHBondContact O-CB 3.44Å; T359-C362 PolarHBondContact O-N 3.32Å; R360-C362 VanDerWaalsContact C-N 3.28Å; R360-C362 PolarHBondContact O-N 2.95Å; C362-R365 PolarHBondContact O-N 3.47Å; C362-R366 VanDerWaalsContact O-CB 3.32Å; C362-R366 WeakPolarHBondContact O-CB 3.28Å; C362-R366 WeakPolarHBondContact O-CG 3.42Å; C362-R366 PolarHBondContact O-N 3.29Å; C362-R366 VanDerWaalsContact SG-CD 3.58Å; C362-R366 PolarHBondContact SG-NE 3.24Å; C362-R366 VanDerWaalsContact SG-NE 3.42Å
363	L	95.9	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.4	-74	167.5	0	0	0	111.9	F310 D313 L317 I319 T359 R360 A367 Y368	F310-L363 HydrophobicContact CB-CD1 4.39Å; F310-L363 HydrophobicContact CD1-CD1 3.49Å; F310-L363 VanDerWaalsContact CD1-CD1 3.49Å; F310-L363 HydrophobicContact CE1-CD1 4.21Å; F310-L363 HydrophobicContact CG-CD1 4.27Å; D313-L363 HydrophobicContact CB-CD2 4.31Å; L317-L363 HydrophobicContact CD1-CD2 3.75Å; I319-L363 HydrophobicContact CD1-CD2 4.22Å; T359-L363 HydrophobicContact CG2-CD1 4.06Å; T359-L363 HydrophobicContact CG2-CG 4.49Å; T359-L363 WeakPolarHBondContact O-CG 3.44Å; T359-L363 PolarHBondContact O-N 3.4Å; R360-L363 PolarHBondContact O-N 2.74Å; L363-A367 WeakPolarHBondContact O-CA 3.41Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 2.91Å; L363-Y368 HydrophobicContact CB-CD2 4.39Å; L363-Y368 HydrophobicContact CB-CE1 4.46Å; L363-Y368 HydrophobicContact CB-CE2 3.82Å; L363-Y368 PolarHBondContact O-N 2.82Å
364	H	94	Very high	94.4	Very high	32 Å²	32	40.9 Å²	40.9	15%	0.148	18%	0.181	C	C	.	.	I	π-helix	trans	-60.2	-48.2	175.4	-85.7	-96.4	0	0	0	111.8	R360 N361 Y368 Q369 M500	R360-H364 PolarHBondContact O-CD2 3.49Å; R360-H364 VanDerWaalsContact O-CD2 3.27Å; R360-H364 PolarHBondContact O-N 3.11Å; N361-H364 PolarHBondContact O-N 2.82Å; H364-Y368 HydrophobicContact CB-CD2 4.43Å; H364-Y368 AromaticContact CD2-CD2 3.63Å; H364-Y368 AromaticContact CD2-CE2 3.97Å; H364-Y368 AromaticContact CE1-CD2 3.96Å; H364-Y368 AromaticContact CG-CD2 3.77Å; H364-Y368 AromaticContact ND1-CD2 3.97Å; H364-Y368 AromaticContact NE2-CD2 3.79Å; H364-Q369 WeakPolarHBondContact O-CA 3.5Å; H364-Q369 WeakPolarHBondContact O-CB 3.38Å; H364-Q369 PolarHBondContact O-N 3.22Å; H364-M500 HydrophobicContact CB-CE 3.62Å
365	R	92.1	Very high	94.6	Very high	127 Å²	127	40.3 Å²	40.3	48%	0.479	18%	0.179	S	C	.	.	I	π-helix	trans	-67.1	-42.1	-177.7	-73.5	-174.8	174.7	-176.8	-1.8	112.7	N361 C362 M500 E542	N361-R365 WeakPolarHBondContact O-CB 3.49Å; N361-R365 WeakPolarHBondContact O-CG 3.16Å; N361-R365 PolarHBondContact O-N 3.48Å; N361-R365 PolarHBondContact OD1-NE 3.26Å; C362-R365 PolarHBondContact O-N 3.47Å; R365-M500 HydrophobicContact CB-CE 4.17Å; R365-M500 HydrophobicContact CG-CE 3.2Å; R365-M500 HydrophobicContact CG-SD 3.84Å; R365-E542 IonicContact CZ-OE1 2.71Å; R365-E542 IonicContact NE-OE1 3.24Å; R365-E542 PolarHBondContact NE-OE1 3.15Å; R365-E542 IonicContact NH2-OE1 2.74Å; R365-E542 PolarHBondContact NH2-OE1 3.01Å; R365-E542 IonicContact NH2-OE2 3.21Å
366	R	94.3	Very high	94.8	Very high	157 Å²	157	37 Å²	37	59%	0.592	16%	0.162	S	C	*	.	I	π-helix	trans	-88.2	-34.7	-171.1	-65.1	-176	-176.9	-172.3	2	113.2	F150 I319 C362	F150-R366 WeakPolarHBondContact CZ-O 3.46Å; I319-R366 HydrophobicContact CD1-CB 4.22Å; C362-R366 VanDerWaalsContact O-CB 3.32Å; C362-R366 WeakPolarHBondContact O-CB 3.28Å; C362-R366 WeakPolarHBondContact O-CG 3.42Å; C362-R366 PolarHBondContact O-N 3.29Å; C362-R366 VanDerWaalsContact SG-CD 3.58Å; C362-R366 PolarHBondContact SG-NE 3.24Å; C362-R366 VanDerWaalsContact SG-NE 3.42Å
367	A	95.4	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-121.6	-65.8	-171.2	0	0	0	0	0	112.9	T146 F150 L317 L363 Q369 H370	T146-A367 HydrophobicContact CG2-CB 4.49Å; F150-A367 HydrophobicContact CE2-CB 4.3Å; F150-A367 HydrophobicContact CZ-CB 4.46Å; L317-A367 HydrophobicContact CD1-CB 3.49Å; L317-A367 VanDerWaalsContact CD1-CB 3.49Å; L317-A367 HydrophobicContact CD2-CB 4.01Å; L317-A367 HydrophobicContact CG-CB 4.39Å; L363-A367 WeakPolarHBondContact O-CA 3.41Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 2.91Å; A367-Q369 VanDerWaalsContact C-N 3.27Å; A367-Q369 PolarHBondContact O-N 2.95Å; A367-H370 WeakPolarHBondContact O-CB 3.42Å; A367-H370 PolarHBondContact O-N 3.28Å
368	Y	95.1	Very high	95.1	Very high	34 Å²	34	38.3 Å²	38.3	13%	0.133	17%	0.168	C	C	.	.	I	π-helix	trans	-65.1	-32.1	-168.8	-50.1	-27.7	0	0	0	113.5	L143 Y309 D313 L363 H364 N374	L143-Y368 HydrophobicContact CD1-CE1 4.22Å; L143-Y368 HydrophobicContact CD2-CD1 3.82Å; L143-Y368 HydrophobicContact CD2-CE1 3.39Å; L143-Y368 HydrophobicContact CG-CE1 4.46Å; Y309-Y368 WeakPolarHBondContact CD2-OH 3.47Å; Y309-Y368 HydrophobicContact CE2-CE2 4.24Å; Y309-Y368 VanDerWaalsContact CE2-OH 3.3Å; Y309-Y368 WeakPolarHBondContact CE2-OH 3.27Å; D313-Y368 WeakPolarHBondContact OD2-CE1 3.38Å; D313-Y368 PolarHBondContact OD2-OH 3.19Å; L363-Y368 HydrophobicContact CB-CD2 4.39Å; L363-Y368 HydrophobicContact CB-CE1 4.46Å; L363-Y368 HydrophobicContact CB-CE2 3.82Å; L363-Y368 PolarHBondContact O-N 2.82Å; H364-Y368 HydrophobicContact CB-CD2 4.43Å; H364-Y368 AromaticContact CD2-CD2 3.63Å; H364-Y368 AromaticContact CD2-CE2 3.97Å; H364-Y368 AromaticContact CE1-CD2 3.96Å; H364-Y368 AromaticContact CG-CD2 3.77Å; H364-Y368 AromaticContact ND1-CD2 3.97Å; H364-Y368 AromaticContact NE2-CD2 3.79Å; Y368-N374 PolarHBondContact O-OD1 3.05Å
369	Q	95.2	Very high	95.4	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.21	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	36.1	174.1	-55.7	-60.2	-36	0	0	109.9	H364 A367 K371 N374 I498 R546	H364-Q369 WeakPolarHBondContact O-CA 3.5Å; H364-Q369 WeakPolarHBondContact O-CB 3.38Å; H364-Q369 PolarHBondContact O-N 3.22Å; A367-Q369 VanDerWaalsContact C-N 3.27Å; A367-Q369 PolarHBondContact O-N 2.95Å; Q369-K371 PolarHBondContact O-N 3Å; Q369-N374 WeakPolarHBondContact CA-OD1 3.36Å; Q369-N374 PolarHBondContact OE1-ND2 3.4Å; Q369-I498 HydrophobicContact CB-CG2 4.1Å; Q369-I498 HydrophobicContact CG-CG2 3.67Å; Q369-I498 VanDerWaalsContact OE1-CG2 3.32Å; Q369-R546 PolarHBondContact O-NH1 3.34Å; Q369-R546 PolarHBondContact O-NH2 3.15Å
370	H	96	Very high	95.6	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.218	15%	0.146	C	C	.	.			trans	-71.3	126.7	174.4	-175.6	-89.7	0	0	0	110	V149 F150 A367 V372 G373 N374	V149-H370 VanDerWaalsContact CG1-CE1 3.47Å; V149-H370 WeakPolarHBondContact CG1-CE1 3.23Å; F150-H370 HydrophobicContact CE2-CB 4.27Å; A367-H370 WeakPolarHBondContact O-CB 3.42Å; A367-H370 PolarHBondContact O-N 3.28Å; H370-V372 PolarHBondContact ND1-N 2.77Å; H370-V372 VanDerWaalsContact ND1-N 3.17Å; H370-V372 PolarHBondContact O-N 2.8Å; H370-G373 WeakPolarHBondContact O-CA 3.44Å; H370-G373 PolarHBondContact O-N 2.98Å; H370-N374 PolarHBondContact O-N 3.09Å; H370-N374 PolarHBondContact O-OD1 3.25Å; H370-N374 VanDerWaalsContact O-OD1 3.09Å
371	K	95.1	Very high	95.8	Very high	111 Å²	111	31.9 Å²	31.9	48%	0.483	14%	0.139	S	C	.	.	H	α-helix	trans	-50.3	-38.1	-175.2	64.5	-172.1	176.7	-174.9	0	114.3	Q369 I375 Y548	Q369-K371 PolarHBondContact O-N 3Å; K371-I375 PolarHBondContact O-N 3.49Å; K371-Y548 WeakPolarHBondContact O-CE1 3.27Å; K371-Y548 PolarHBondContact O-OH 3.49Å
372	V	96.1	Very high	96.1	Very high	36 Å²	36	32.8 Å²	32.8	22%	0.218	14%	0.143	C	C	.	.	H	α-helix	trans	-79.7	-30.1	178.2	-173.2	0	0	0	0	112.2	V149 H370 I375 I376 L447	V149-V372 HydrophobicContact CG2-CB 3.84Å; V149-V372 HydrophobicContact CG2-CG1 3.85Å; H370-V372 PolarHBondContact ND1-N 2.77Å; H370-V372 VanDerWaalsContact ND1-N 3.17Å; H370-V372 PolarHBondContact O-N 2.8Å; V372-I375 WeakPolarHBondContact O-CG2 3.17Å; V372-I376 HydrophobicContact CG1-CD1 4.04Å; V372-I376 WeakPolarHBondContact O-CD1 3.46Å; V372-I376 WeakPolarHBondContact O-CG1 3.31Å; V372-I376 PolarHBondContact O-N 3.48Å; V372-L447 HydrophobicContact CG1-CD1 3.59Å
373	G	96.4	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-50.9	176.7	0	0	0	0	0	110.2	H370 I375 I376 E377	H370-G373 WeakPolarHBondContact O-CA 3.44Å; H370-G373 PolarHBondContact O-N 2.98Å; G373-I375 VanDerWaalsContact C-N 3.3Å; G373-I375 PolarHBondContact O-N 3.42Å; G373-I376 WeakPolarHBondContact O-CB 3.38Å; G373-I376 PolarHBondContact O-N 3.13Å; G373-I376 VanDerWaalsContact O-N 3.08Å; G373-E377 PolarHBondContact O-N 3.45Å
374	N	95.6	Very high	96.4	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	14%	0.137	C	C	.	.	H	α-helix	trans	-57.1	-41.5	179	-64.3	28.5	0	0	0	112.3	Y368 Q369 H370 E377 T378	Y368-N374 PolarHBondContact O-OD1 3.05Å; Q369-N374 WeakPolarHBondContact CA-OD1 3.36Å; Q369-N374 PolarHBondContact OE1-ND2 3.4Å; H370-N374 PolarHBondContact O-N 3.09Å; H370-N374 PolarHBondContact O-OD1 3.25Å; H370-N374 VanDerWaalsContact O-OD1 3.09Å; N374-E377 PolarHBondContact O-N 3.16Å; N374-T378 PolarHBondContact O-N 3.18Å; N374-T378 PolarHBondContact O-OG1 3.41Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å
375	I	96.9	Very high	96.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-71.6	-31.7	179.8	-162.1	56.8	0	0	0	112.6	K371 V372 G373 T378 M379 Y448 Y548	K371-I375 PolarHBondContact O-N 3.49Å; V372-I375 WeakPolarHBondContact O-CG2 3.17Å; G373-I375 VanDerWaalsContact C-N 3.3Å; G373-I375 PolarHBondContact O-N 3.42Å; I375-T378 HydrophobicContact CD1-CG2 4.46Å; I375-T378 WeakPolarHBondContact O-CB 3.31Å; I375-T378 PolarHBondContact O-N 3.26Å; I375-M379 VanDerWaalsContact O-CG 3.31Å; I375-M379 WeakPolarHBondContact O-CG 3.11Å; I375-M379 PolarHBondContact O-N 3.3Å; I375-Y448 HydrophobicContact CD1-CD2 3.8Å; I375-Y448 HydrophobicContact CD1-CG 4.36Å; I375-Y448 HydrophobicContact CG1-CD2 4.19Å; I375-Y448 HydrophobicContact CG1-CG 4.37Å; I375-Y548 HydrophobicContact CB-CD1 3.92Å; I375-Y548 HydrophobicContact CB-CE1 3.73Å; I375-Y548 HydrophobicContact CD1-CD1 3.7Å; I375-Y548 HydrophobicContact CD1-CD2 3.91Å; I375-Y548 HydrophobicContact CD1-CE1 4.2Å; I375-Y548 HydrophobicContact CD1-CE2 4.38Å; I375-Y548 HydrophobicContact CD1-CG 3.56Å; I375-Y548 HydrophobicContact CG1-CD1 3.7Å; I375-Y548 HydrophobicContact CG1-CE1 4.06Å; I375-Y548 HydrophobicContact CG1-CG 4.1Å; I375-Y548 HydrophobicContact CG2-CE1 4.35Å
376	I	98	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-45.2	172.2	-71.8	170.1	0	0	0	109.7	Y148 V149 V372 G373 T378 M379 I380 I442 L447	Y148-I376 HydrophobicContact CD2-CG2 3.85Å; Y148-I376 HydrophobicContact CE2-CG2 4.46Å; Y148-I376 HydrophobicContact CG-CD1 4.39Å; Y148-I376 HydrophobicContact CG-CG2 4.3Å; V149-I376 HydrophobicContact CG2-CD1 4.35Å; V372-I376 HydrophobicContact CG1-CD1 4.04Å; V372-I376 WeakPolarHBondContact O-CD1 3.46Å; V372-I376 WeakPolarHBondContact O-CG1 3.31Å; V372-I376 PolarHBondContact O-N 3.48Å; G373-I376 WeakPolarHBondContact O-CB 3.38Å; G373-I376 PolarHBondContact O-N 3.13Å; G373-I376 VanDerWaalsContact O-N 3.08Å; I376-T378 VanDerWaalsContact C-N 3.32Å; I376-T378 PolarHBondContact O-N 3.03Å; I376-M379 PolarHBondContact O-N 3.27Å; I376-M379 VanDerWaalsContact O-N 3.11Å; I376-I380 HydrophobicContact CG2-CD1 3.85Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 VanDerWaalsContact O-CG1 3.32Å; I376-I380 WeakPolarHBondContact O-CG1 3.37Å; I376-I380 PolarHBondContact O-N 2.94Å; I376-I442 HydrophobicContact CG1-CG2 4.48Å; I376-I442 HydrophobicContact CG2-CD1 4.49Å; I376-I442 HydrophobicContact CG2-CG2 4.01Å; I376-L447 HydrophobicContact CD1-CD1 3.91Å; I376-L447 HydrophobicContact CD1-CD2 4.46Å; I376-L447 HydrophobicContact CG1-CD1 3.84Å; I376-L447 HydrophobicContact CG1-CD2 3.87Å
377	E	97.8	Very high	97.1	Very high	24 Å²	24	23.9 Å²	23.9	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-38	175.6	-71.9	-175.3	167.9	0	0	112.5	G145 M209 M213 G373 N374 I380 T381	G145-E377 PolarHBondContact N-OE1 3.39Å; M209-E377 HydrophobicContact CB-CB 4.36Å; M209-E377 HydrophobicContact CB-CG 4.26Å; M209-E377 HydrophobicContact CG-CB 3.92Å; M209-E377 HydrophobicContact CG-CG 4.27Å; M209-E377 HydrophobicContact SD-CB 4.43Å; M213-E377 HydrophobicContact CE-CB 4.5Å; M213-E377 HydrophobicContact SD-CB 3.94Å; G373-E377 PolarHBondContact O-N 3.45Å; N374-E377 PolarHBondContact O-N 3.16Å; E377-I380 PolarHBondContact O-N 3.42Å; E377-T381 WeakPolarHBondContact O-CB 3.4Å; E377-T381 PolarHBondContact O-N 3.24Å; E377-T381 PolarHBondContact O-OG1 3.2Å
378	T	97.3	Very high	97.2	Very high	5 Å²	5	25 Å²	25	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-47.1	170.1	-61.5	0	0	0	0	111.5	M213 N374 I375 I376 T381 E382 V494	M213-T378 VanDerWaalsContact CE-OG1 3.31Å; M213-T378 WeakPolarHBondContact CE-OG1 3.4Å; N374-T378 PolarHBondContact O-N 3.18Å; N374-T378 PolarHBondContact O-OG1 3.41Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å; I375-T378 HydrophobicContact CD1-CG2 4.46Å; I375-T378 WeakPolarHBondContact O-CB 3.31Å; I375-T378 PolarHBondContact O-N 3.26Å; I376-T378 VanDerWaalsContact C-N 3.32Å; I376-T378 PolarHBondContact O-N 3.03Å; T378-T381 WeakPolarHBondContact O-CB 3.44Å; T378-T381 PolarHBondContact O-N 2.91Å; T378-E382 WeakPolarHBondContact O-CG 3.44Å; T378-E382 PolarHBondContact O-N 3.16Å; T378-V494 HydrophobicContact CG2-CG1 4.16Å
379	M	98.3	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-40	179.2	-70.4	177.1	72.7	0	0	112.2	I375 I376 T381 E382 A383 I438 K441 I442 L447 Y448	I375-M379 VanDerWaalsContact O-CG 3.31Å; I375-M379 WeakPolarHBondContact O-CG 3.11Å; I375-M379 PolarHBondContact O-N 3.3Å; I376-M379 PolarHBondContact O-N 3.27Å; I376-M379 VanDerWaalsContact O-N 3.11Å; M379-T381 VanDerWaalsContact C-N 3.32Å; M379-E382 PolarHBondContact O-N 3Å; M379-A383 PolarHBondContact O-N 3.01Å; M379-I438 HydrophobicContact CB-CG2 4.02Å; M379-I438 HydrophobicContact CE-CG2 4.26Å; M379-I438 VanDerWaalsContact O-CG2 3.27Å; M379-I438 WeakPolarHBondContact O-CG2 3.31Å; M379-K441 HydrophobicContact CE-CB 3.96Å; M379-I442 HydrophobicContact CB-CD1 3.75Å; M379-I442 HydrophobicContact CB-CG1 4.03Å; M379-I442 HydrophobicContact CE-CG1 3.83Å; M379-I442 HydrophobicContact SD-CG1 4.2Å; M379-L447 HydrophobicContact CE-CD2 4.41Å; M379-L447 HydrophobicContact SD-CB 4.24Å; M379-L447 HydrophobicContact SD-CD2 3.82Å; M379-Y448 HydrophobicContact CE-CD1 4.39Å; M379-Y448 HydrophobicContact CE-CE1 4.15Å; M379-Y448 HydrophobicContact CG-CD2 3.69Å; M379-Y448 HydrophobicContact CG-CE1 4.4Å; M379-Y448 HydrophobicContact CG-CE2 3.52Å; M379-Y448 HydrophobicContact CG-CG 4.21Å; M379-Y448 HydrophobicContact SD-CD1 4.26Å; M379-Y448 HydrophobicContact SD-CD2 4.22Å; M379-Y448 HydrophobicContact SD-CE1 4.43Å; M379-Y448 HydrophobicContact SD-CE2 4.42Å; M379-Y448 HydrophobicContact SD-CG 4.14Å
380	I	98.6	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-44.1	173.7	-64.9	169.7	0	0	0	109.7	Y148 F206 M209 I376 E377 E382 A383 F384 F421 L439 I442	Y148-I380 HydrophobicContact CE2-CD1 4.36Å; F206-I380 HydrophobicContact CD1-CD1 4.12Å; F206-I380 HydrophobicContact CD2-CG2 4.08Å; F206-I380 HydrophobicContact CE1-CD1 3.94Å; F206-I380 HydrophobicContact CE2-CD1 4.44Å; F206-I380 HydrophobicContact CE2-CG2 4.07Å; F206-I380 HydrophobicContact CG-CD1 4.46Å; F206-I380 HydrophobicContact CZ-CD1 4.11Å; M209-I380 HydrophobicContact CE-CG2 3.83Å; M209-I380 HydrophobicContact SD-CB 3.67Å; M209-I380 HydrophobicContact SD-CG2 3.43Å; M209-I380 WeakPolarHBondContact SD-CG2 3.2Å; I376-I380 HydrophobicContact CG2-CD1 3.85Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 VanDerWaalsContact O-CG1 3.32Å; I376-I380 WeakPolarHBondContact O-CG1 3.37Å; I376-I380 PolarHBondContact O-N 2.94Å; E377-I380 PolarHBondContact O-N 3.42Å; I380-E382 PolarHBondContact O-N 3.14Å; I380-A383 PolarHBondContact O-N 3.11Å; I380-F384 HydrophobicContact CG2-CD1 3.95Å; I380-F384 HydrophobicContact CG2-CE1 3.73Å; I380-F384 HydrophobicContact CG2-CE2 4.36Å; I380-F384 HydrophobicContact CG2-CG 4.37Å; I380-F384 HydrophobicContact CG2-CZ 3.96Å; I380-F384 WeakPolarHBondContact O-CB 3.44Å; I380-F384 WeakPolarHBondContact O-CD1 3.43Å; I380-F384 PolarHBondContact O-N 3.24Å; I380-F421 HydrophobicContact CD1-CD2 4.33Å; I380-F421 HydrophobicContact CD1-CE2 4.2Å; I380-F421 HydrophobicContact CG1-CD2 4.22Å; I380-F421 HydrophobicContact CG1-CE2 4Å; I380-L439 HydrophobicContact CG1-CD2 4.45Å; I380-I442 HydrophobicContact CG1-CD1 3.63Å
381	T	98.3	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-45.7	176.5	-60.2	0	0	0	0	111.6	M209 M213 F214 K217 E377 T378 M379 A383 F384 L385	M209-T381 WeakPolarHBondContact CG-OG1 3.37Å; M213-T381 HydrophobicContact CB-CG2 4.23Å; F214-T381 HydrophobicContact CB-CG2 4.24Å; K217-T381 HydrophobicContact CD-CG2 3.98Å; E377-T381 WeakPolarHBondContact O-CB 3.4Å; E377-T381 PolarHBondContact O-N 3.24Å; E377-T381 PolarHBondContact O-OG1 3.2Å; T378-T381 WeakPolarHBondContact O-CB 3.44Å; T378-T381 PolarHBondContact O-N 2.91Å; M379-T381 VanDerWaalsContact C-N 3.32Å; T381-A383 VanDerWaalsContact C-N 3.35Å; T381-A383 PolarHBondContact O-N 3.04Å; T381-F384 PolarHBondContact O-N 3.22Å; T381-L385 HydrophobicContact CG2-CD1 4.07Å; T381-L385 HydrophobicContact CG2-CG 4.44Å; T381-L385 VanDerWaalsContact O-CG 3.27Å; T381-L385 WeakPolarHBondContact O-CG 3.15Å; T381-L385 PolarHBondContact O-N 2.86Å
382	E	97.6	Very high	97.3	Very high	34 Å²	34	26.6 Å²	26.6	16%	0.159	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-42.4	175.9	-73.9	-179.7	-176.5	0	0	112.2	T378 M379 I380 L385 K386 I438 Y448 K550	T378-E382 WeakPolarHBondContact O-CG 3.44Å; T378-E382 PolarHBondContact O-N 3.16Å; M379-E382 PolarHBondContact O-N 3Å; I380-E382 PolarHBondContact O-N 3.14Å; E382-L385 PolarHBondContact O-N 2.64Å; E382-K386 WeakPolarHBondContact O-CG 3.45Å; E382-K386 PolarHBondContact O-N 3.17Å; E382-I438 HydrophobicContact CB-CD1 4.21Å; E382-Y448 WeakPolarHBondContact OE2-CE2 3.25Å; E382-Y448 PolarHBondContact OE2-OH 3.32Å; E382-K550 WeakPolarHBondContact OE1-CE 3.42Å; E382-K550 IonicContact OE1-NZ 2.7Å
383	A	98.4	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-42.3	175.8	0	0	0	0	0	111.8	M379 I380 T381 K386 A387 A435 I438 L439	M379-A383 PolarHBondContact O-N 3.01Å; I380-A383 PolarHBondContact O-N 3.11Å; T381-A383 VanDerWaalsContact C-N 3.35Å; T381-A383 PolarHBondContact O-N 3.04Å; A383-K386 PolarHBondContact O-N 3.45Å; A383-A387 WeakPolarHBondContact O-CB 3.31Å; A383-A387 PolarHBondContact O-N 2.93Å; A383-A435 HydrophobicContact CB-CB 4.32Å; A383-A435 VanDerWaalsContact O-CB 3.27Å; A383-A435 WeakPolarHBondContact O-CB 3.45Å; A383-I438 HydrophobicContact CB-CB 4.12Å; A383-I438 HydrophobicContact CB-CG2 4.11Å; A383-L439 HydrophobicContact CB-CD2 3.39Å; A383-L439 HydrophobicContact CB-CG 3.75Å
384	F	98.5	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-38.7	179.3	-80.9	23.9	0	0	0	111.7	P205 F206 M209 F214 I380 T381 K386 A387 D388 V420 I424	P205-F384 HydrophobicContact CB-CE2 3.97Å; F206-F384 HydrophobicContact CD2-CE2 4.48Å; F206-F384 HydrophobicContact CD2-CZ 4.24Å; F206-F384 AromaticContact CE2-CZ 3.95Å; F206-F384 HydrophobicContact CE2-CZ 3.95Å; M209-F384 HydrophobicContact CE-CD2 4.14Å; M209-F384 HydrophobicContact CE-CE2 4.12Å; F214-F384 HydrophobicContact CD2-CB 3.64Å; F214-F384 HydrophobicContact CE2-CB 3.6Å; F214-F384 HydrophobicContact CG-CB 4.5Å; F214-F384 HydrophobicContact CZ-CB 4.41Å; I380-F384 HydrophobicContact CG2-CD1 3.95Å; I380-F384 HydrophobicContact CG2-CE1 3.73Å; I380-F384 HydrophobicContact CG2-CE2 4.36Å; I380-F384 HydrophobicContact CG2-CG 4.37Å; I380-F384 HydrophobicContact CG2-CZ 3.96Å; I380-F384 WeakPolarHBondContact O-CB 3.44Å; I380-F384 WeakPolarHBondContact O-CD1 3.43Å; I380-F384 PolarHBondContact O-N 3.24Å; T381-F384 PolarHBondContact O-N 3.22Å; F384-K386 VanDerWaalsContact C-N 3.31Å; F384-K386 PolarHBondContact O-N 2.8Å; F384-A387 CarbonylContact O-C 3.5Å; F384-A387 PolarHBondContact O-N 2.79Å; F384-D388 WeakPolarHBondContact O-CB 3.49Å; F384-D388 PolarHBondContact O-N 3.3Å; F384-V420 HydrophobicContact CD1-CG1 4.37Å; F384-V420 HydrophobicContact CE1-CB 4.46Å; F384-V420 HydrophobicContact CE1-CG1 3.8Å; F384-V420 HydrophobicContact CE2-CB 4.34Å; F384-V420 HydrophobicContact CE2-CG1 3.98Å; F384-V420 HydrophobicContact CZ-CB 3.87Å; F384-V420 HydrophobicContact CZ-CG1 3.58Å; F384-I424 HydrophobicContact CD1-CD1 3.76Å; F384-I424 HydrophobicContact CE1-CD1 3.86Å
385	L	98.3	Very high	97.4	Very high	57 Å²	57	30.6 Å²	30.6	30%	0.298	15%	0.153	S	C	.	.	H	α-helix	trans	-61.4	-40.1	174.5	-71.9	167.1	0	0	0	111.8	F214 K217 A218 T381 E382	F214-L385 HydrophobicContact CD2-CD2 4.12Å; F214-L385 HydrophobicContact CD2-CG 4.17Å; F214-L385 HydrophobicContact CE2-CD2 4.02Å; F214-L385 HydrophobicContact CE2-CG 4.25Å; K217-L385 HydrophobicContact CB-CD1 3.94Å; K217-L385 HydrophobicContact CB-CD2 4.04Å; K217-L385 HydrophobicContact CD-CD1 4.01Å; A218-L385 HydrophobicContact CB-CD2 3.7Å; T381-L385 HydrophobicContact CG2-CD1 4.07Å; T381-L385 HydrophobicContact CG2-CG 4.44Å; T381-L385 VanDerWaalsContact O-CG 3.27Å; T381-L385 WeakPolarHBondContact O-CG 3.15Å; T381-L385 PolarHBondContact O-N 2.86Å; E382-L385 PolarHBondContact O-N 2.64Å
386	K	97.9	Very high	97.3	Very high	92 Å²	92	32.1 Å²	32.1	40%	0.4	16%	0.164	S	C	.	.	H	α-helix	trans	-71.3	-30.3	175.6	-71.5	176.9	176.3	-70.4	0	112.8	E382 A383 F384 E434 A435 I438	E382-K386 WeakPolarHBondContact O-CG 3.45Å; E382-K386 PolarHBondContact O-N 3.17Å; A383-K386 PolarHBondContact O-N 3.45Å; F384-K386 VanDerWaalsContact C-N 3.31Å; F384-K386 PolarHBondContact O-N 2.8Å; K386-E434 HydrophobicContact CD-CB 3.97Å; K386-E434 IonicContact NZ-OE2 2.7Å; K386-E434 PolarHBondContact NZ-OE2 2.93Å; K386-A435 HydrophobicContact CB-CB 4.06Å; K386-I438 HydrophobicContact CD-CD1 3.77Å
387	A	98	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-85.3	-20.9	179.3	0	0	0	0	0	113.8	A383 F384 P389 H390 I391 L403 I424 L432 A435	A383-A387 WeakPolarHBondContact O-CB 3.31Å; A383-A387 PolarHBondContact O-N 2.93Å; F384-A387 CarbonylContact O-C 3.5Å; F384-A387 PolarHBondContact O-N 2.79Å; A387-P389 VanDerWaalsContact C-CD 3.46Å; A387-H390 PolarHBondContact O-N 3.49Å; A387-I391 HydrophobicContact CB-CG1 4.07Å; A387-I391 PolarHBondContact O-N 3.08Å; A387-I391 VanDerWaalsContact O-N 3.07Å; A387-L403 HydrophobicContact CB-CD1 4.33Å; A387-I424 HydrophobicContact CB-CD1 3.45Å; A387-I424 VanDerWaalsContact CB-CD1 3.45Å; A387-I424 HydrophobicContact CB-CG1 3.84Å; A387-L432 HydrophobicContact CB-CD2 3.56Å; A387-A435 HydrophobicContact CB-CB 4.01Å
388	D	97.9	Very high	96.9	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-47.7	-173.2	-175.8	50.3	0	0	0	113.9	F214 F384 H390 T402 L403 S404	F214-D388 HydrophobicContact CZ-CB 4.43Å; F384-D388 WeakPolarHBondContact O-CB 3.49Å; F384-D388 PolarHBondContact O-N 3.3Å; D388-H390 PolarHBondContact O-N 3.01Å; D388-H390 VanDerWaalsContact O-N 3.14Å; D388-T402 VanDerWaalsContact O-CB 3.29Å; D388-T402 WeakPolarHBondContact O-CB 3.32Å; D388-T402 WeakPolarHBondContact O-CG2 3.29Å; D388-T402 WeakPolarHBondContact OD1-CB 3.39Å; D388-T402 PolarHBondContact OD1-OG1 3.12Å; D388-L403 WeakPolarHBondContact OD1-CA 3.43Å; D388-L403 VanDerWaalsContact OD1-CB 3.3Å; D388-L403 WeakPolarHBondContact OD1-CB 3.48Å; D388-L403 PolarHBondContact OD1-N 2.77Å; D388-S404 VanDerWaalsContact CG-OG 3.25Å; D388-S404 WeakPolarHBondContact OD1-CB 3.33Å; D388-S404 PolarHBondContact OD1-N 3.18Å; D388-S404 PolarHBondContact OD1-OG 3.14Å; D388-S404 VanDerWaalsContact OD1-OG 3.09Å; D388-S404 WeakPolarHBondContact OD2-CB 3.2Å; D388-S404 PolarHBondContact OD2-OG 3.31Å
389	P	96.4	Very high	96.9	Very high	73 Å²	73	46.3 Å²	46.3	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.7	-177.8	-17.8	33	0	0	0	114.5	A387	A387-P389 VanDerWaalsContact C-CD 3.46Å
390	H	96.2	Very high	96.9	Very high	77 Å²	77	51 Å²	51	36%	0.356	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-18.9	-168.2	-55.6	-58.9	0	0	0	113.1	A387 D388 H392 E431 L432	A387-H390 PolarHBondContact O-N 3.49Å; D388-H390 PolarHBondContact O-N 3.01Å; D388-H390 VanDerWaalsContact O-N 3.14Å; H390-H392 PolarHBondContact O-ND1 3.24Å; H390-E431 HydrophobicContact CB-CB 4.42Å; H390-L432 HydrophobicContact CB-CD2 3.87Å; H390-L432 HydrophobicContact CB-CG 4.22Å
391	I	95.1	Very high	96.8	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.27	C	S	.	.			trans	-89	115.8	174.9	-61.3	-66.4	0	0	0	109	A387 V393 T402 L403 Q423 I424 L432	A387-I391 HydrophobicContact CB-CG1 4.07Å; A387-I391 PolarHBondContact O-N 3.08Å; A387-I391 VanDerWaalsContact O-N 3.07Å; I391-V393 HydrophobicContact CG2-CG2 4.46Å; I391-T402 WeakPolarHBondContact O-CA 3.44Å; I391-L403 HydrophobicContact CB-CD1 4.13Å; I391-L403 HydrophobicContact CB-CD2 4.16Å; I391-L403 HydrophobicContact CB-CG 3.85Å; I391-L403 HydrophobicContact CG1-CD1 4.15Å; I391-L403 HydrophobicContact CG1-CG 4.42Å; I391-L403 HydrophobicContact CG2-CD1 4.48Å; I391-L403 HydrophobicContact CG2-CD2 3.63Å; I391-L403 HydrophobicContact CG2-CG 3.9Å; I391-Q423 HydrophobicContact CD1-CG 4.2Å; I391-I424 HydrophobicContact CD1-CG1 4.13Å; I391-I424 HydrophobicContact CG1-CG1 4.34Å; I391-L432 HydrophobicContact CD1-CD1 3.84Å; I391-L432 HydrophobicContact CD1-CD2 4.29Å; I391-L432 HydrophobicContact CG1-CD2 4.36Å
392	H	95.4	Very high	96.8	Very high	117 Å²	117	54 Å²	54	54%	0.542	28%	0.278	S	S	.	.			trans	-107	128.7	-178.3	-62.6	105.9	0	0	0	110.3	H390 I400 F401	H390-H392 PolarHBondContact O-ND1 3.24Å; H392-I400 HydrophobicContact CB-CG2 3.58Å; H392-I400 VanDerWaalsContact CD2-CG2 3.44Å; H392-I400 WeakPolarHBondContact CD2-CG2 3.48Å; H392-F401 CarbonylContact C-O 3.58Å; H392-F401 WeakPolarHBondContact CA-O 3.32Å
393	V	96.1	Very high	96.7	Very high	17 Å²	17	52.4 Å²	52.4	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.4	176.4	-173.4	0	0	0	0	108.1	I391 G395 F401 A412 K415	I391-V393 HydrophobicContact CG2-CG2 4.46Å; V393-G395 PolarHBondContact O-N 2.98Å; V393-F401 PolarHBondContact N-O 2.92Å; V393-F401 PolarHBondContact O-N 2.88Å; V393-A412 HydrophobicContact CB-CB 4.47Å; V393-A412 HydrophobicContact CG1-CB 3.94Å; V393-A412 WeakPolarHBondContact CG1-O 3.46Å; V393-K415 HydrophobicContact CG1-CB 4.01Å; V393-K415 HydrophobicContact CG1-CD 4.06Å
394	E	97.3	Very high	96.7	Very high	109 Å²	109	52.7 Å²	52.7	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.3	175.6	-171.2	-174.8	166.5	0	0	110.4	I400 K415	E394-I400 HydrophobicContact CB-CD1 4.09Å; E394-I400 HydrophobicContact CG-CD1 4.27Å; E394-K415 PolarHBondContact O-NZ 3.11Å
395	G	96.9	Very high	96.6	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	29%	0.285	C	S	.	.			trans	-110.1	-152.4	177.1	0	0	0	0	0	113	V393 G398 K399 D409	V393-G395 PolarHBondContact O-N 2.98Å; G395-G398 PolarHBondContact O-N 2.84Å; G395-K399 PolarHBondContact N-O 3.28Å; G395-D409 WeakPolarHBondContact CA-OD1 3.26Å
396	S	95.6	Very high	96.5	Very high	37 Å²	37	52 Å²	52	26%	0.259	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.1	143.1	179.9	64.9	0	0	0	0	112.3	G398 K399 D409	S396-G398 PolarHBondContact O-N 3.09Å; S396-G398 VanDerWaalsContact O-N 3.13Å; S396-K399 WeakPolarHBondContact O-CB 3.28Å; S396-K399 PolarHBondContact O-N 3.08Å; S396-K399 VanDerWaalsContact O-N 3.09Å; S396-D409 WeakPolarHBondContact CB-OD2 3.06Å; S396-D409 PolarHBondContact N-OD1 3.42Å; S396-D409 PolarHBondContact N-OD2 2.99Å; S396-D409 PolarHBondContact OG-OD2 3.06Å
397	Q	93.7	Very high	96.5	Very high	174 Å²	174	47.6 Å²	47.6	81%	0.813	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	57.1	25.9	178.1	-53.1	174	-2.5	0	0	114.2	K399	Q397-K399 PolarHBondContact O-N 3.23Å
398	G	93.4	Very high	96.4	Very high	39 Å²	39	51.5 Å²	51.5	40%	0.402	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	71.7	11.9	-178.7	0	0	0	0	0	114.4	G395 S396	G395-G398 PolarHBondContact O-N 2.84Å; S396-G398 PolarHBondContact O-N 3.09Å; S396-G398 VanDerWaalsContact O-N 3.13Å
399	K	96.9	Very high	96.4	Very high	113 Å²	113	51.2 Å²	51.2	49%	0.491	27%	0.271	S	S	.	.			trans	-68	139.6	175.8	-69.1	179.4	-171.9	174.2	0	110.1	G395 S396 Q397 F401	G395-K399 PolarHBondContact N-O 3.28Å; S396-K399 WeakPolarHBondContact O-CB 3.28Å; S396-K399 PolarHBondContact O-N 3.08Å; S396-K399 VanDerWaalsContact O-N 3.09Å; Q397-K399 PolarHBondContact O-N 3.23Å; K399-F401 HydrophobicContact CB-CD2 4.45Å; K399-F401 HydrophobicContact CB-CE2 3.67Å; K399-F401 HydrophobicContact CB-CZ 4.14Å; K399-F401 WeakPolarHBondContact O-CD2 3.49Å
400	I	97.4	Very high	96.5	Very high	100 Å²	100	48.7 Å²	48.7	51%	0.513	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.8	179.4	-57.4	-57.8	0	0	0	109.9	H392 E394	H392-I400 HydrophobicContact CB-CG2 3.58Å; H392-I400 VanDerWaalsContact CD2-CG2 3.44Å; H392-I400 WeakPolarHBondContact CD2-CG2 3.48Å; E394-I400 HydrophobicContact CB-CD1 4.09Å; E394-I400 HydrophobicContact CG-CD1 4.27Å
401	F	98	Very high	96.6	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.2	176.7	-63.8	-93.8	0	0	0	110.4	H392 V393 K399 T405 A406 D409 A412	H392-F401 CarbonylContact C-O 3.58Å; H392-F401 WeakPolarHBondContact CA-O 3.32Å; V393-F401 PolarHBondContact N-O 2.92Å; V393-F401 PolarHBondContact O-N 2.88Å; K399-F401 HydrophobicContact CB-CD2 4.45Å; K399-F401 HydrophobicContact CB-CE2 3.67Å; K399-F401 HydrophobicContact CB-CZ 4.14Å; K399-F401 WeakPolarHBondContact O-CD2 3.49Å; F401-T405 WeakPolarHBondContact CD1-O 3.38Å; F401-A406 HydrophobicContact CB-CB 4.33Å; F401-D409 HydrophobicContact CD1-CB 4.38Å; F401-D409 HydrophobicContact CD2-CB 4.21Å; F401-D409 HydrophobicContact CE1-CB 3.8Å; F401-D409 HydrophobicContact CE2-CB 3.61Å; F401-D409 HydrophobicContact CZ-CB 3.38Å; F401-A412 HydrophobicContact CB-CB 4.24Å; F401-A412 HydrophobicContact CD2-CB 3.84Å; F401-A412 HydrophobicContact CG-CB 4.19Å
402	T	97.4	Very high	96.8	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.178	25%	0.246	C	C	.	.			trans	-84.7	175.7	168.6	64.1	0	0	0	0	111.1	D388 I391 S404 T405 A406	D388-T402 VanDerWaalsContact O-CB 3.29Å; D388-T402 WeakPolarHBondContact O-CB 3.32Å; D388-T402 WeakPolarHBondContact O-CG2 3.29Å; D388-T402 WeakPolarHBondContact OD1-CB 3.39Å; D388-T402 PolarHBondContact OD1-OG1 3.12Å; I391-T402 WeakPolarHBondContact O-CA 3.44Å; T402-S404 VanDerWaalsContact C-N 3.27Å; T402-S404 PolarHBondContact O-N 3.11Å; T402-S404 PolarHBondContact OG1-OG 3.43Å; T402-T405 PolarHBondContact N-OG1 3.11Å; T402-T405 PolarHBondContact O-N 3.4Å; T402-T405 PolarHBondContact OG1-N 3.03Å; T402-T405 PolarHBondContact OG1-OG1 3.23Å; T402-A406 WeakPolarHBondContact O-CB 3.13Å; T402-A406 PolarHBondContact O-N 3.36Å
403	L	96.1	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-43	175.3	-65.7	171.9	0	0	0	112	F214 A387 D388 I391 L416 V420	F214-L403 HydrophobicContact CE1-CB 4.16Å; F214-L403 HydrophobicContact CZ-CB 3.84Å; A387-L403 HydrophobicContact CB-CD1 4.33Å; D388-L403 WeakPolarHBondContact OD1-CA 3.43Å; D388-L403 VanDerWaalsContact OD1-CB 3.3Å; D388-L403 WeakPolarHBondContact OD1-CB 3.48Å; D388-L403 PolarHBondContact OD1-N 2.77Å; I391-L403 HydrophobicContact CB-CD1 4.13Å; I391-L403 HydrophobicContact CB-CD2 4.16Å; I391-L403 HydrophobicContact CB-CG 3.85Å; I391-L403 HydrophobicContact CG1-CD1 4.15Å; I391-L403 HydrophobicContact CG1-CG 4.42Å; I391-L403 HydrophobicContact CG2-CD1 4.48Å; I391-L403 HydrophobicContact CG2-CD2 3.63Å; I391-L403 HydrophobicContact CG2-CG 3.9Å; L403-L416 HydrophobicContact CD2-CD1 3.5Å; L403-V420 HydrophobicContact CD1-CG1 3.94Å; L403-V420 HydrophobicContact CD2-CB 4.33Å; L403-V420 HydrophobicContact CD2-CG1 3.58Å; L403-V420 HydrophobicContact CD2-CG2 3.72Å; L403-V420 HydrophobicContact CG-CG1 4.44Å
404	S	97.2	Very high	97	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.042	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.5	-176.3	66.8	0	0	0	0	113.6	R219 D388 T402 I407	R219-S404 WeakPolarHBondContact CD-O 3.49Å; R219-S404 PolarHBondContact NH1-O 2.83Å; D388-S404 VanDerWaalsContact CG-OG 3.25Å; D388-S404 WeakPolarHBondContact OD1-CB 3.33Å; D388-S404 PolarHBondContact OD1-N 3.18Å; D388-S404 PolarHBondContact OD1-OG 3.14Å; D388-S404 VanDerWaalsContact OD1-OG 3.09Å; D388-S404 WeakPolarHBondContact OD2-CB 3.2Å; D388-S404 PolarHBondContact OD2-OG 3.31Å; T402-S404 VanDerWaalsContact C-N 3.27Å; T402-S404 PolarHBondContact O-N 3.11Å; T402-S404 PolarHBondContact OG1-OG 3.43Å; S404-I407 WeakPolarHBondContact O-CG1 3.31Å
405	T	97.2	Very high	97	Very high	41 Å²	41	41.4 Å²	41.4	25%	0.252	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-14.9	-179.3	56.4	0	0	0	0	113.3	F401 T402 I407 D408	F401-T405 WeakPolarHBondContact CD1-O 3.38Å; T402-T405 PolarHBondContact N-OG1 3.11Å; T402-T405 PolarHBondContact O-N 3.4Å; T402-T405 PolarHBondContact OG1-N 3.03Å; T402-T405 PolarHBondContact OG1-OG1 3.23Å; T405-I407 PolarHBondContact O-N 3.5Å; T405-I407 VanDerWaalsContact O-N 3.08Å; T405-D408 WeakPolarHBondContact O-CB 3.21Å; T405-D408 PolarHBondContact O-N 3.2Å
406	A	97.1	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-56.7	-25.5	175.5	0	0	0	0	0	113.4	F401 T402 D408 D409 A412 Y413 L416	F401-A406 HydrophobicContact CB-CB 4.33Å; T402-A406 WeakPolarHBondContact O-CB 3.13Å; T402-A406 PolarHBondContact O-N 3.36Å; A406-D408 PolarHBondContact O-N 3.03Å; A406-D408 VanDerWaalsContact O-N 3.1Å; A406-D409 PolarHBondContact O-N 2.84Å; A406-D409 VanDerWaalsContact O-N 3.14Å; A406-A412 HydrophobicContact CB-CB 4.14Å; A406-Y413 WeakPolarHBondContact O-CB 3.28Å; A406-L416 HydrophobicContact CB-CD2 4.23Å
407	I	96.7	Very high	97.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.4	175.2	67.3	177.8	0	0	0	114.1	F210 I215 W224 S404 T405 M410 Y413	F210-I407 HydrophobicContact CE1-CG2 3.68Å; F210-I407 HydrophobicContact CZ-CG2 4.22Å; I215-I407 HydrophobicContact CD1-CD1 4.01Å; I215-I407 HydrophobicContact CD1-CG2 4Å; I215-I407 HydrophobicContact CG1-CG2 4.49Å; I215-I407 HydrophobicContact CG2-CD1 4.19Å; W224-I407 HydrophobicContact CB-CD1 4.45Å; W224-I407 HydrophobicContact CD2-CD1 4.32Å; W224-I407 HydrophobicContact CG-CD1 3.99Å; W224-I407 HydrophobicContact CH2-CG2 4.43Å; W224-I407 HydrophobicContact CZ2-CB 4.39Å; W224-I407 HydrophobicContact CZ2-CG2 3.98Å; S404-I407 WeakPolarHBondContact O-CG1 3.31Å; T405-I407 PolarHBondContact O-N 3.5Å; T405-I407 VanDerWaalsContact O-N 3.08Å; I407-M410 VanDerWaalsContact O-CE 3.32Å; I407-M410 WeakPolarHBondContact O-CE 3.23Å; I407-Y413 HydrophobicContact CG2-CD2 4.12Å; I407-Y413 HydrophobicContact CG2-CE2 3.83Å
408	D	96.6	Very high	97.4	Very high	81 Å²	81	32.7 Å²	32.7	43%	0.433	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-86.3	-12.8	-179.6	-62.3	-28.5	0	0	0	112.4	R219 T405 A406	R219-D408 IonicContact CZ-OD2 2.66Å; R219-D408 VanDerWaalsContact CZ-OD2 3.24Å; R219-D408 VanDerWaalsContact NH1-CG 3.29Å; R219-D408 IonicContact NH1-OD1 3.55Å; R219-D408 PolarHBondContact NH1-OD1 3.39Å; R219-D408 IonicContact NH1-OD2 2.68Å; R219-D408 PolarHBondContact NH1-OD2 3.15Å; R219-D408 IonicContact NH2-OD1 3.76Å; R219-D408 IonicContact NH2-OD2 2.63Å; R219-D408 PolarHBondContact NH2-OD2 3.49Å; T405-D408 WeakPolarHBondContact O-CB 3.21Å; T405-D408 PolarHBondContact O-N 3.2Å; A406-D408 PolarHBondContact O-N 3.03Å; A406-D408 VanDerWaalsContact O-N 3.1Å
409	D	98.3	Very high	97.7	Very high	18 Å²	18	35.7 Å²	35.7	10%	0.096	18%	0.182	C	C	.	.			trans	-137.1	116	-177.4	-178.9	-95.8	0	0	0	111.6	G395 S396 F401 A406 V411 A412 Y413	G395-D409 WeakPolarHBondContact CA-OD1 3.26Å; S396-D409 WeakPolarHBondContact CB-OD2 3.06Å; S396-D409 PolarHBondContact N-OD1 3.42Å; S396-D409 PolarHBondContact N-OD2 2.99Å; S396-D409 PolarHBondContact OG-OD2 3.06Å; F401-D409 HydrophobicContact CD1-CB 4.38Å; F401-D409 HydrophobicContact CD2-CB 4.21Å; F401-D409 HydrophobicContact CE1-CB 3.8Å; F401-D409 HydrophobicContact CE2-CB 3.61Å; F401-D409 HydrophobicContact CZ-CB 3.38Å; A406-D409 PolarHBondContact O-N 2.84Å; A406-D409 VanDerWaalsContact O-N 3.14Å; D409-V411 VanDerWaalsContact C-N 3.27Å; D409-V411 PolarHBondContact O-N 3.33Å; D409-V411 VanDerWaalsContact OD1-CB 3.31Å; D409-V411 WeakPolarHBondContact OD1-CB 3.5Å; D409-V411 PolarHBondContact OD1-N 3.45Å; D409-A412 HydrophobicContact CB-CB 4.27Å; D409-A412 PolarHBondContact O-N 3.25Å; D409-A412 PolarHBondContact OD1-N 3.39Å; D409-Y413 WeakPolarHBondContact O-CB 3.47Å; D409-Y413 PolarHBondContact O-N 2.93Å
410	M	98.3	Very high	97.7	Very high	20 Å²	20	30.6 Å²	30.6	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-70.6	-20.7	-173	-64.6	-62.9	99.6	0	0	113.8	K232 M233 Y236 I407 Y413 T414	K232-M410 HydrophobicContact CB-CE 4.26Å; K232-M410 HydrophobicContact CB-CG 3.98Å; K232-M410 HydrophobicContact CB-SD 3.7Å; K232-M410 HydrophobicContact CD-CE 4.36Å; M233-M410 HydrophobicContact CB-SD 4.05Å; M233-M410 HydrophobicContact CE-CB 4.47Å; M233-M410 HydrophobicContact CE-SD 3.87Å; Y236-M410 HydrophobicContact CD1-CB 3.46Å; Y236-M410 VanDerWaalsContact CD1-CB 3.46Å; Y236-M410 HydrophobicContact CD2-CB 4.42Å; Y236-M410 HydrophobicContact CE1-CB 4.22Å; Y236-M410 HydrophobicContact CG-CB 3.59Å; Y236-M410 HydrophobicContact CG-CG 4.49Å; I407-M410 VanDerWaalsContact O-CE 3.32Å; I407-M410 WeakPolarHBondContact O-CE 3.23Å; M410-Y413 HydrophobicContact CE-CD1 3.9Å; M410-Y413 HydrophobicContact CE-CG 4.1Å; M410-Y413 HydrophobicContact SD-CD1 4.04Å; M410-T414 WeakPolarHBondContact O-CB 3.48Å; M410-T414 PolarHBondContact O-N 2.77Å; M410-T414 PolarHBondContact O-OG1 2.62Å
411	V	98.3	Very high	97.8	Very high	38 Å²	38	26 Å²	26	23%	0.23	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-46.7	172.8	-174.9	0	0	0	0	109.7	Y236 D409	Y236-V411 HydrophobicContact CE1-CG2 4.48Å; Y236-V411 HydrophobicContact CE2-CG2 3.93Å; D409-V411 VanDerWaalsContact C-N 3.27Å; D409-V411 PolarHBondContact O-N 3.33Å; D409-V411 VanDerWaalsContact OD1-CB 3.31Å; D409-V411 WeakPolarHBondContact OD1-CB 3.5Å; D409-V411 PolarHBondContact OD1-N 3.45Å
412	A	98.2	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-47.8	173	0	0	0	0	0	111.1	V393 F401 A406 D409 T414 K415 L416	V393-A412 HydrophobicContact CB-CB 4.47Å; V393-A412 HydrophobicContact CG1-CB 3.94Å; V393-A412 WeakPolarHBondContact CG1-O 3.46Å; F401-A412 HydrophobicContact CB-CB 4.24Å; F401-A412 HydrophobicContact CD2-CB 3.84Å; F401-A412 HydrophobicContact CG-CB 4.19Å; A406-A412 HydrophobicContact CB-CB 4.14Å; D409-A412 HydrophobicContact CB-CB 4.27Å; D409-A412 PolarHBondContact O-N 3.25Å; D409-A412 PolarHBondContact OD1-N 3.39Å; A412-T414 PolarHBondContact O-N 3.17Å; A412-K415 WeakPolarHBondContact O-CB 3.5Å; A412-K415 PolarHBondContact O-N 3.26Å; A412-L416 PolarHBondContact O-N 3.37Å
413	Y	98.3	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-29.9	-176.8	-162.3	-124.6	0	0	0	113.4	G202 G204 F210 W224 A229 M233 A406 I407 D409 M410 K415 L416	G202-Y413 PolarHBondContact O-OH 3.04Å; G204-Y413 VanDerWaalsContact CA-OH 3.24Å; G204-Y413 WeakPolarHBondContact CA-OH 3.23Å; G204-Y413 PolarHBondContact N-OH 2.91Å; G204-Y413 VanDerWaalsContact N-OH 3.12Å; F210-Y413 HydrophobicContact CE1-CE2 4.03Å; W224-Y413 VanDerWaalsContact CH2-OH 3.28Å; W224-Y413 WeakPolarHBondContact CH2-OH 3.5Å; W224-Y413 AromaticContact CZ2-CZ 3.97Å; A229-Y413 HydrophobicContact CB-CE1 4.26Å; M233-Y413 HydrophobicContact CE-CD1 3.59Å; M233-Y413 HydrophobicContact CE-CE1 4.42Å; M233-Y413 HydrophobicContact CE-CG 4.36Å; A406-Y413 WeakPolarHBondContact O-CB 3.28Å; I407-Y413 HydrophobicContact CG2-CD2 4.12Å; I407-Y413 HydrophobicContact CG2-CE2 3.83Å; D409-Y413 WeakPolarHBondContact O-CB 3.47Å; D409-Y413 PolarHBondContact O-N 2.93Å; M410-Y413 HydrophobicContact CE-CD1 3.9Å; M410-Y413 HydrophobicContact CE-CG 4.1Å; M410-Y413 HydrophobicContact SD-CD1 4.04Å; Y413-K415 PolarHBondContact O-N 3.1Å; Y413-L416 HydrophobicContact CD2-CB 4.26Å; Y413-L416 HydrophobicContact CD2-CD2 3.93Å; Y413-L416 HydrophobicContact CE2-CD2 3.91Å; Y413-L416 WeakPolarHBondContact O-CB 3.3Å; Y413-L416 PolarHBondContact O-N 3.24Å; Y413-L416 VanDerWaalsContact O-N 3.11Å
414	T	98.6	Very high	97.8	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.123	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-32.6	174.9	-65.3	0	0	0	0	112.1	P132 Q133 M233 Y236 M410 A412 L416	P132-T414 HydrophobicContact CB-CG2 4.18Å; Q133-T414 HydrophobicContact CG-CG2 4.45Å; M233-T414 WeakPolarHBondContact CE-OG1 3.49Å; Y236-T414 WeakPolarHBondContact CE1-OG1 3.36Å; M410-T414 WeakPolarHBondContact O-CB 3.48Å; M410-T414 PolarHBondContact O-N 2.77Å; M410-T414 PolarHBondContact O-OG1 2.62Å; A412-T414 PolarHBondContact O-N 3.17Å; T414-L416 VanDerWaalsContact C-N 3.34Å
415	K	97.9	Very high	97.8	Very high	114 Å²	114	32.1 Å²	32.1	50%	0.496	16%	0.164	S	C	.	.	H	α-helix	trans	-80.9	-16.8	179.3	-57.4	170	-173.9	175	0	112.4	V393 E394 A412 Y413 T417	V393-K415 HydrophobicContact CG1-CB 4.01Å; V393-K415 HydrophobicContact CG1-CD 4.06Å; E394-K415 PolarHBondContact O-NZ 3.11Å; A412-K415 WeakPolarHBondContact O-CB 3.5Å; A412-K415 PolarHBondContact O-N 3.26Å; Y413-K415 PolarHBondContact O-N 3.1Å; K415-T417 PolarHBondContact O-N 3.19Å
416	L	97.6	Very high	97.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.18	C	C	.	.			trans	-83	108.7	-175.1	-165.3	71.5	0	0	0	111.3	P205 F210 L403 A406 A412 Y413 T414 V420	P205-L416 HydrophobicContact CG-CD1 4.28Å; P205-L416 HydrophobicContact CG-CD2 4.2Å; P205-L416 HydrophobicContact CG-CG 3.7Å; F210-L416 HydrophobicContact CE1-CD2 4.25Å; F210-L416 HydrophobicContact CE2-CD2 3.95Å; F210-L416 HydrophobicContact CZ-CD2 3.51Å; L403-L416 HydrophobicContact CD2-CD1 3.5Å; A406-L416 HydrophobicContact CB-CD2 4.23Å; A412-L416 PolarHBondContact O-N 3.37Å; Y413-L416 HydrophobicContact CD2-CB 4.26Å; Y413-L416 HydrophobicContact CD2-CD2 3.93Å; Y413-L416 HydrophobicContact CE2-CD2 3.91Å; Y413-L416 WeakPolarHBondContact O-CB 3.3Å; Y413-L416 PolarHBondContact O-N 3.24Å; Y413-L416 VanDerWaalsContact O-N 3.11Å; T414-L416 VanDerWaalsContact C-N 3.34Å; L416-V420 HydrophobicContact CD1-CG2 3.6Å
417	T	98.6	Very high	97.8	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.074	19%	0.189	C	C	.	.	S	Bend	trans	-141.9	-177.1	-176.5	64.3	0	0	0	0	110.6	R136 N139 I140 P205 K415 N419 V420	R136-T417 HydrophobicContact CB-CG2 4.1Å; N139-T417 HydrophobicContact CB-CG2 4.08Å; N139-T417 WeakPolarHBondContact O-CB 3.42Å; I140-T417 HydrophobicContact CG1-CG2 4.38Å; P205-T417 WeakPolarHBondContact CG-O 3.21Å; K415-T417 PolarHBondContact O-N 3.19Å; T417-N419 PolarHBondContact O-N 3.26Å; T417-N419 WeakPolarHBondContact OG1-CB 3.32Å; T417-N419 PolarHBondContact OG1-N 3.47Å; T417-V420 WeakPolarHBondContact O-CG2 3.3Å; T417-V420 PolarHBondContact O-N 3.37Å
418	D	98.6	Very high	97.7	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.102	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.8	178.5	-63.9	3.2	0	0	0	113.1	N139 K141 P205 F206 V420 F421	N139-D418 VanDerWaalsContact O-CB 3.27Å; N139-D418 WeakPolarHBondContact O-CB 3.14Å; N139-D418 VanDerWaalsContact O-CG 3.26Å; N139-D418 PolarHBondContact O-N 3.47Å; K141-D418 WeakPolarHBondContact CB-OD2 3.42Å; K141-D418 WeakPolarHBondContact CG-OD2 3.35Å; K141-D418 PolarHBondContact N-OD2 3.21Å; P205-D418 VanDerWaalsContact CA-OD1 3.25Å; P205-D418 WeakPolarHBondContact CA-OD1 3.47Å; F206-D418 HydrophobicContact CE2-CB 4.31Å; F206-D418 HydrophobicContact CZ-CB 4.31Å; F206-D418 PolarHBondContact N-OD1 2.85Å; D418-V420 PolarHBondContact O-N 3.27Å; D418-V420 VanDerWaalsContact O-N 3.08Å; D418-F421 VanDerWaalsContact O-CB 3.3Å; D418-F421 WeakPolarHBondContact O-CB 3.18Å; D418-F421 PolarHBondContact O-N 3.11Å
419	N	97.9	Very high	97.6	Very high	102 Å²	102	40.5 Å²	40.5	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-52.5	-29.8	174.7	-171.8	-37.1	0	0	0	112.6	T417 F421 E422 Q423	T417-N419 PolarHBondContact O-N 3.26Å; T417-N419 WeakPolarHBondContact OG1-CB 3.32Å; T417-N419 PolarHBondContact OG1-N 3.47Å; N419-F421 PolarHBondContact O-N 3.22Å; N419-E422 PolarHBondContact O-N 2.94Å; N419-Q423 PolarHBondContact O-N 2.84Å
420	V	97.9	Very high	97.5	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-50.2	-35.1	175.3	174.5	0	0	0	0	112.3	F384 L403 L416 T417 D418 Q423 I424	F384-V420 HydrophobicContact CD1-CG1 4.37Å; F384-V420 HydrophobicContact CE1-CB 4.46Å; F384-V420 HydrophobicContact CE1-CG1 3.8Å; F384-V420 HydrophobicContact CE2-CB 4.34Å; F384-V420 HydrophobicContact CE2-CG1 3.98Å; F384-V420 HydrophobicContact CZ-CB 3.87Å; F384-V420 HydrophobicContact CZ-CG1 3.58Å; L403-V420 HydrophobicContact CD1-CG1 3.94Å; L403-V420 HydrophobicContact CD2-CB 4.33Å; L403-V420 HydrophobicContact CD2-CG1 3.58Å; L403-V420 HydrophobicContact CD2-CG2 3.72Å; L403-V420 HydrophobicContact CG-CG1 4.44Å; L416-V420 HydrophobicContact CD1-CG2 3.6Å; T417-V420 WeakPolarHBondContact O-CG2 3.3Å; T417-V420 PolarHBondContact O-N 3.37Å; D418-V420 PolarHBondContact O-N 3.27Å; D418-V420 VanDerWaalsContact O-N 3.08Å; V420-Q423 PolarHBondContact O-N 2.52Å; V420-I424 HydrophobicContact CG1-CD1 3.81Å; V420-I424 HydrophobicContact CG1-CG1 4.42Å; V420-I424 WeakPolarHBondContact O-CD1 3.48Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.44Å; V420-I424 PolarHBondContact O-N 3.43Å
421	F	98.4	Very high	97.4	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-51.4	175	-174.4	-78.4	0	0	0	111.8	Y148 F206 I380 D418 N419 I424 L425 L439 I442 I443	Y148-F421 WeakPolarHBondContact OH-CZ 3.2Å; F206-F421 HydrophobicContact CE2-CB 3.96Å; F206-F421 HydrophobicContact CE2-CD2 4.19Å; F206-F421 HydrophobicContact CE2-CG 4.5Å; F206-F421 HydrophobicContact CZ-CB 3.84Å; F206-F421 AromaticContact CZ-CD2 3.75Å; F206-F421 HydrophobicContact CZ-CD2 3.75Å; F206-F421 HydrophobicContact CZ-CG 4.05Å; I380-F421 HydrophobicContact CD1-CD2 4.33Å; I380-F421 HydrophobicContact CD1-CE2 4.2Å; I380-F421 HydrophobicContact CG1-CD2 4.22Å; I380-F421 HydrophobicContact CG1-CE2 4Å; D418-F421 VanDerWaalsContact O-CB 3.3Å; D418-F421 WeakPolarHBondContact O-CB 3.18Å; D418-F421 PolarHBondContact O-N 3.11Å; N419-F421 PolarHBondContact O-N 3.22Å; F421-I424 PolarHBondContact O-N 2.78Å; F421-L425 HydrophobicContact CE1-CD2 4.14Å; F421-L425 WeakPolarHBondContact O-CB 3.15Å; F421-L425 PolarHBondContact O-N 3.14Å; F421-L439 HydrophobicContact CD1-CD1 4.45Å; F421-L439 HydrophobicContact CD2-CD1 4.05Å; F421-L439 HydrophobicContact CD2-CD2 3.88Å; F421-L439 HydrophobicContact CD2-CG 4.49Å; F421-L439 HydrophobicContact CE2-CB 4.35Å; F421-L439 HydrophobicContact CE2-CD1 4.26Å; F421-L439 HydrophobicContact CE2-CD2 3.6Å; F421-L439 HydrophobicContact CE2-CG 4.27Å; F421-L439 HydrophobicContact CG-CD1 4.15Å; F421-L439 HydrophobicContact CZ-CB 4.13Å; F421-L439 HydrophobicContact CZ-CD1 4.5Å; F421-L439 HydrophobicContact CZ-CD2 4.24Å; F421-L439 WeakPolarHBondContact O-CD1 3.17Å; F421-I442 HydrophobicContact CE2-CD1 4.34Å; F421-I443 HydrophobicContact CE1-CD1 4.05Å; F421-I443 HydrophobicContact CE1-CG1 4.38Å; F421-I443 HydrophobicContact CZ-CD1 4.13Å; F421-I443 HydrophobicContact CZ-CG1 4.37Å
422	E	97.6	Very high	97.3	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-69.5	-35	179.1	-68.1	-59.8	154.1	0	0	112	N419 I424 L425 N426	N419-E422 PolarHBondContact O-N 2.94Å; E422-I424 VanDerWaalsContact C-N 3.34Å; E422-I424 PolarHBondContact O-N 3.34Å; E422-L425 PolarHBondContact O-N 3.1Å; E422-N426 VanDerWaalsContact O-CB 3.29Å; E422-N426 WeakPolarHBondContact O-CB 3.39Å; E422-N426 PolarHBondContact O-N 3.08Å; E422-N426 PolarHBondContact O-ND2 2.85Å; E422-N426 PolarHBondContact OE2-ND2 2.57Å
423	Q	97.4	Very high	97.3	Very high	87 Å²	87	49.7 Å²	49.7	41%	0.407	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-45.6	174.8	-174.6	-177.5	5.8	0	0	111.2	I391 N419 V420 S427	I391-Q423 HydrophobicContact CD1-CG 4.2Å; N419-Q423 PolarHBondContact O-N 2.84Å; V420-Q423 PolarHBondContact O-N 2.52Å; Q423-S427 WeakPolarHBondContact O-CB 3.26Å; Q423-S427 PolarHBondContact O-N 3.32Å
424	I	98	Very high	97.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.2	-47.3	176.7	-65.5	163.7	0	0	0	110.3	F384 A387 I391 V420 F421 E422 N426 S427 A435 L439	F384-I424 HydrophobicContact CD1-CD1 3.76Å; F384-I424 HydrophobicContact CE1-CD1 3.86Å; A387-I424 HydrophobicContact CB-CD1 3.45Å; A387-I424 VanDerWaalsContact CB-CD1 3.45Å; A387-I424 HydrophobicContact CB-CG1 3.84Å; I391-I424 HydrophobicContact CD1-CG1 4.13Å; I391-I424 HydrophobicContact CG1-CG1 4.34Å; V420-I424 HydrophobicContact CG1-CD1 3.81Å; V420-I424 HydrophobicContact CG1-CG1 4.42Å; V420-I424 WeakPolarHBondContact O-CD1 3.48Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.44Å; V420-I424 PolarHBondContact O-N 3.43Å; F421-I424 PolarHBondContact O-N 2.78Å; E422-I424 VanDerWaalsContact C-N 3.34Å; E422-I424 PolarHBondContact O-N 3.34Å; I424-N426 VanDerWaalsContact C-N 3.3Å; I424-N426 PolarHBondContact O-N 2.67Å; I424-S427 WeakPolarHBondContact O-CB 3.37Å; I424-S427 PolarHBondContact O-N 3.47Å; I424-A435 HydrophobicContact CG2-CB 3.72Å; I424-L439 HydrophobicContact CB-CD1 3.75Å; I424-L439 HydrophobicContact CD1-CD1 4.4Å; I424-L439 HydrophobicContact CG2-CD1 3.67Å; I424-L439 HydrophobicContact CG2-CG 4.43Å
425	L	97.2	Very high	97.2	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-39.3	-176.1	-173.7	64.8	0	0	0	112.2	F421 E422 K436 L439 H440 I443	F421-L425 HydrophobicContact CE1-CD2 4.14Å; F421-L425 WeakPolarHBondContact O-CB 3.15Å; F421-L425 PolarHBondContact O-N 3.14Å; E422-L425 PolarHBondContact O-N 3.1Å; L425-K436 WeakPolarHBondContact O-CD 3.4Å; L425-K436 WeakPolarHBondContact O-CE 3.33Å; L425-K436 PolarHBondContact O-NZ 2.99Å; L425-L439 HydrophobicContact CD1-CB 4.16Å; L425-H440 HydrophobicContact CD1-CB 4.32Å; L425-I443 HydrophobicContact CD2-CG1 4.11Å
426	N	96.9	Very high	97.2	Very high	110 Å²	110	52.7 Å²	52.7	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.4	-176.8	-60.9	-54.2	0	0	0	113.6	E422 I424	E422-N426 VanDerWaalsContact O-CB 3.29Å; E422-N426 WeakPolarHBondContact O-CB 3.39Å; E422-N426 PolarHBondContact O-N 3.08Å; E422-N426 PolarHBondContact O-ND2 2.85Å; E422-N426 PolarHBondContact OE2-ND2 2.57Å; I424-N426 VanDerWaalsContact C-N 3.3Å; I424-N426 PolarHBondContact O-N 2.67Å
427	S	96.3	Very high	97.2	Very high	27 Å²	27	57.4 Å²	57.4	19%	0.189	32%	0.318	C	S	.	.			trans	-65	145.4	177.5	-175.1	0	0	0	0	112.3	Q423 I424 S429 L432 K436	Q423-S427 WeakPolarHBondContact O-CB 3.26Å; Q423-S427 PolarHBondContact O-N 3.32Å; I424-S427 WeakPolarHBondContact O-CB 3.37Å; I424-S427 PolarHBondContact O-N 3.47Å; S427-S429 PolarHBondContact OG-N 2.9Å; S427-S429 VanDerWaalsContact OG-N 3.11Å; S427-L432 WeakPolarHBondContact OG-CD1 3.17Å; S427-K436 PolarHBondContact O-NZ 3.44Å
428	S	94.6	Very high	97.2	Very high	121 Å²	121	57.5 Å²	57.5	85%	0.846	32%	0.318	S	S	*	.			trans	-101.5	-1.5	171.1	-59.1	0	0	0	0	112.8
429	S	95.3	Very high	97.1	Very high	41 Å²	41	56.6 Å²	56.6	29%	0.287	31%	0.313	S	S	.	.			trans	-72.5	132.5	-178.7	131.9	0	0	0	0	110.6	S427 E431 L432	S427-S429 PolarHBondContact OG-N 2.9Å; S427-S429 VanDerWaalsContact OG-N 3.11Å; S429-E431 VanDerWaalsContact CB-OE2 3.3Å; S429-E431 WeakPolarHBondContact CB-OE2 3.47Å; S429-E431 PolarHBondContact O-N 2.69Å; S429-E431 PolarHBondContact OG-N 3.37Å; S429-E431 PolarHBondContact OG-OE2 2.96Å; S429-L432 PolarHBondContact O-N 2.67Å
430	P	95.7	Very high	97.1	Very high	102 Å²	102	56.1 Å²	56.1	66%	0.662	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.2	179.5	26.1	-33.9	0	0	0	112.5	L432 A433	P430-L432 PolarHBondContact O-N 2.93Å; P430-A433 WeakPolarHBondContact O-CB 3.48Å; P430-A433 PolarHBondContact O-N 2.65Å; P430-A433 VanDerWaalsContact O-N 3.13Å
431	E	95.9	Very high	97.1	Very high	105 Å²	105	59.4 Å²	59.4	49%	0.491	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-63.5	-28.2	178.2	-57.4	79.5	-171.8	0	0	112.2	H390 S429	H390-E431 HydrophobicContact CB-CB 4.42Å; S429-E431 VanDerWaalsContact CB-OE2 3.3Å; S429-E431 WeakPolarHBondContact CB-OE2 3.47Å; S429-E431 PolarHBondContact O-N 2.69Å; S429-E431 PolarHBondContact OG-N 3.37Å; S429-E431 PolarHBondContact OG-OE2 2.96Å
432	L	96.9	Very high	97.1	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-92.1	3.5	179	-68	172.6	0	0	0	113.5	A387 H390 I391 S427 S429 P430 E434 A435 K436	A387-L432 HydrophobicContact CB-CD2 3.56Å; H390-L432 HydrophobicContact CB-CD2 3.87Å; H390-L432 HydrophobicContact CB-CG 4.22Å; I391-L432 HydrophobicContact CD1-CD1 3.84Å; I391-L432 HydrophobicContact CD1-CD2 4.29Å; I391-L432 HydrophobicContact CG1-CD2 4.36Å; S427-L432 WeakPolarHBondContact OG-CD1 3.17Å; S429-L432 PolarHBondContact O-N 2.67Å; P430-L432 PolarHBondContact O-N 2.93Å; L432-E434 PolarHBondContact O-N 2.93Å; L432-A435 PolarHBondContact O-N 3.11Å; L432-K436 VanDerWaalsContact O-CB 3.23Å; L432-K436 WeakPolarHBondContact O-CB 3.39Å; L432-K436 PolarHBondContact O-N 3.34Å
433	A	97.1	Very high	97.1	Very high	53 Å²	53	59.4 Å²	59.4	44%	0.438	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-41.2	-173.7	0	0	0	0	0	113.2	P430 L437	P430-A433 WeakPolarHBondContact O-CB 3.48Å; P430-A433 PolarHBondContact O-N 2.65Å; P430-A433 VanDerWaalsContact O-N 3.13Å; A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.41Å
434	E	97	Very high	97	Very high	120 Å²	120	58 Å²	58	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-68.4	-45.5	178.9	-65.5	-170	-176.8	0	0	112.3	K386 L432 K436 L437 I438	K386-E434 HydrophobicContact CD-CB 3.97Å; K386-E434 IonicContact NZ-OE2 2.7Å; K386-E434 PolarHBondContact NZ-OE2 2.93Å; L432-E434 PolarHBondContact O-N 2.93Å; E434-K436 VanDerWaalsContact C-N 3.33Å; E434-K436 PolarHBondContact O-N 3.09Å; E434-L437 WeakPolarHBondContact O-CB 3.31Å; E434-L437 PolarHBondContact O-N 3.16Å; E434-I438 WeakPolarHBondContact O-CG1 3.49Å; E434-I438 PolarHBondContact O-N 2.91Å
435	A	97.9	Very high	97	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.7	0	0	0	0	0	110.6	A383 K386 A387 I424 L432 L437 I438 L439	A383-A435 HydrophobicContact CB-CB 4.32Å; A383-A435 VanDerWaalsContact O-CB 3.27Å; A383-A435 WeakPolarHBondContact O-CB 3.45Å; K386-A435 HydrophobicContact CB-CB 4.06Å; A387-A435 HydrophobicContact CB-CB 4.01Å; I424-A435 HydrophobicContact CG2-CB 3.72Å; L432-A435 PolarHBondContact O-N 3.11Å; A435-L437 VanDerWaalsContact C-N 3.33Å; A435-L437 PolarHBondContact O-N 3.37Å; A435-I438 PolarHBondContact O-N 2.95Å; A435-I438 VanDerWaalsContact O-N 3.17Å; A435-L439 WeakPolarHBondContact O-CG 3.27Å; A435-L439 PolarHBondContact O-N 3.11Å
436	K	98	Very high	96.9	Very high	77 Å²	77	69.4 Å²	69.4	34%	0.335	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-41.9	175.2	178.1	172.7	179.2	166	0	112.3	L425 S427 L432 E434 I438 L439 H440	L425-K436 WeakPolarHBondContact O-CD 3.4Å; L425-K436 WeakPolarHBondContact O-CE 3.33Å; L425-K436 PolarHBondContact O-NZ 2.99Å; S427-K436 PolarHBondContact O-NZ 3.44Å; L432-K436 VanDerWaalsContact O-CB 3.23Å; L432-K436 WeakPolarHBondContact O-CB 3.39Å; L432-K436 PolarHBondContact O-N 3.34Å; E434-K436 VanDerWaalsContact C-N 3.33Å; E434-K436 PolarHBondContact O-N 3.09Å; K436-I438 VanDerWaalsContact C-N 3.32Å; K436-I438 PolarHBondContact O-N 3.39Å; K436-L439 PolarHBondContact O-N 2.93Å; K436-H440 VanDerWaalsContact O-CB 3.29Å; K436-H440 WeakPolarHBondContact O-CB 3.47Å; K436-H440 PolarHBondContact O-N 3.17Å
437	L	97.8	Very high	96.9	Very high	100 Å²	100	64.7 Å²	64.7	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-41.2	177.3	-177.6	67.3	0	0	0	111.8	A433 E434 A435 H440 K441	A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.41Å; E434-L437 WeakPolarHBondContact O-CB 3.31Å; E434-L437 PolarHBondContact O-N 3.16Å; A435-L437 VanDerWaalsContact C-N 3.33Å; A435-L437 PolarHBondContact O-N 3.37Å; L437-H440 PolarHBondContact O-N 3.18Å; L437-K441 WeakPolarHBondContact O-CG 3.47Å; L437-K441 PolarHBondContact O-N 3.36Å
438	I	97.8	Very high	96.9	Very high	13 Å²	13	64.4 Å²	64.4	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-47.8	177.1	-62.6	169.3	0	0	0	110.4	M379 E382 A383 K386 E434 A435 K436 H440 K441 I442	M379-I438 HydrophobicContact CB-CG2 4.02Å; M379-I438 HydrophobicContact CE-CG2 4.26Å; M379-I438 VanDerWaalsContact O-CG2 3.27Å; M379-I438 WeakPolarHBondContact O-CG2 3.31Å; E382-I438 HydrophobicContact CB-CD1 4.21Å; A383-I438 HydrophobicContact CB-CB 4.12Å; A383-I438 HydrophobicContact CB-CG2 4.11Å; K386-I438 HydrophobicContact CD-CD1 3.77Å; E434-I438 WeakPolarHBondContact O-CG1 3.49Å; E434-I438 PolarHBondContact O-N 2.91Å; A435-I438 PolarHBondContact O-N 2.95Å; A435-I438 VanDerWaalsContact O-N 3.17Å; K436-I438 VanDerWaalsContact C-N 3.32Å; K436-I438 PolarHBondContact O-N 3.39Å; I438-H440 VanDerWaalsContact C-N 3.33Å; I438-H440 PolarHBondContact O-N 3.43Å; I438-K441 WeakPolarHBondContact O-CB 3.38Å; I438-K441 PolarHBondContact O-N 2.9Å; I438-K441 VanDerWaalsContact O-N 3.15Å; I438-I442 PolarHBondContact O-N 3.21Å
439	L	98.2	Very high	96.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-39.1	178.2	-60.5	-169.6	0	0	0	112.1	I380 A383 F421 I424 L425 A435 K436 K441 I442 I443	I380-L439 HydrophobicContact CG1-CD2 4.45Å; A383-L439 HydrophobicContact CB-CD2 3.39Å; A383-L439 HydrophobicContact CB-CG 3.75Å; F421-L439 HydrophobicContact CD1-CD1 4.45Å; F421-L439 HydrophobicContact CD2-CD1 4.05Å; F421-L439 HydrophobicContact CD2-CD2 3.88Å; F421-L439 HydrophobicContact CD2-CG 4.49Å; F421-L439 HydrophobicContact CE2-CB 4.35Å; F421-L439 HydrophobicContact CE2-CD1 4.26Å; F421-L439 HydrophobicContact CE2-CD2 3.6Å; F421-L439 HydrophobicContact CE2-CG 4.27Å; F421-L439 HydrophobicContact CG-CD1 4.15Å; F421-L439 HydrophobicContact CZ-CB 4.13Å; F421-L439 HydrophobicContact CZ-CD1 4.5Å; F421-L439 HydrophobicContact CZ-CD2 4.24Å; F421-L439 WeakPolarHBondContact O-CD1 3.17Å; I424-L439 HydrophobicContact CB-CD1 3.75Å; I424-L439 HydrophobicContact CD1-CD1 4.4Å; I424-L439 HydrophobicContact CG2-CD1 3.67Å; I424-L439 HydrophobicContact CG2-CG 4.43Å; L425-L439 HydrophobicContact CD1-CB 4.16Å; A435-L439 WeakPolarHBondContact O-CG 3.27Å; A435-L439 PolarHBondContact O-N 3.11Å; K436-L439 PolarHBondContact O-N 2.93Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.85Å; L439-I442 HydrophobicContact CD2-CD1 4.02Å; L439-I442 WeakPolarHBondContact O-CA 3.47Å; L439-I442 WeakPolarHBondContact O-CB 3.4Å; L439-I442 PolarHBondContact O-N 3.45Å; L439-I443 PolarHBondContact O-N 2.99Å; L439-I443 VanDerWaalsContact O-N 3.09Å
440	H	97.8	Very high	96.9	Very high	93 Å²	93	63.3 Å²	63.3	43%	0.431	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-37	174.8	-175	-86.5	0	0	0	112	L425 K436 L437 I438 I442 I443 C444	L425-H440 HydrophobicContact CD1-CB 4.32Å; K436-H440 VanDerWaalsContact O-CB 3.29Å; K436-H440 WeakPolarHBondContact O-CB 3.47Å; K436-H440 PolarHBondContact O-N 3.17Å; L437-H440 PolarHBondContact O-N 3.18Å; I438-H440 VanDerWaalsContact C-N 3.33Å; I438-H440 PolarHBondContact O-N 3.43Å; H440-I442 VanDerWaalsContact C-N 3.28Å; H440-I442 PolarHBondContact O-N 3.45Å; H440-I443 PolarHBondContact O-N 3.25Å; H440-C444 PolarHBondContact CE1-SG 2.97Å; H440-C444 WeakPolarHBondContact O-CB 3.33Å; H440-C444 PolarHBondContact O-N 2.77Å
441	K	97.6	Very high	96.8	Very high	75 Å²	75	58.8 Å²	58.8	33%	0.326	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-37.4	171.9	-74.9	175.5	-178.3	179.5	0	111.8	M379 L437 I438 L439 C444 R445 K446	M379-K441 HydrophobicContact CE-CB 3.96Å; L437-K441 WeakPolarHBondContact O-CG 3.47Å; L437-K441 PolarHBondContact O-N 3.36Å; I438-K441 WeakPolarHBondContact O-CB 3.38Å; I438-K441 PolarHBondContact O-N 2.9Å; I438-K441 VanDerWaalsContact O-N 3.15Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.85Å; K441-C444 CarbonylContact O-C 3.58Å; K441-R445 PolarHBondContact O-N 3.41Å; K441-R445 VanDerWaalsContact O-N 3.14Å; K441-K446 HydrophobicContact CB-CB 4.11Å; K441-K446 HydrophobicContact CG-CB 4.23Å; K441-K446 WeakPolarHBondContact O-CA 3.27Å; K441-K446 PolarHBondContact O-N 3.49Å
442	I	97.6	Very high	96.6	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-51.1	175.5	-59	171.8	0	0	0	110.4	Y148 I376 M379 I380 F421 I438 L439 H440 C444 R445 L447	Y148-I442 HydrophobicContact CD1-CG2 4.38Å; Y148-I442 HydrophobicContact CE1-CG2 4.45Å; I376-I442 HydrophobicContact CG1-CG2 4.48Å; I376-I442 HydrophobicContact CG2-CD1 4.49Å; I376-I442 HydrophobicContact CG2-CG2 4.01Å; M379-I442 HydrophobicContact CB-CD1 3.75Å; M379-I442 HydrophobicContact CB-CG1 4.03Å; M379-I442 HydrophobicContact CE-CG1 3.83Å; M379-I442 HydrophobicContact SD-CG1 4.2Å; I380-I442 HydrophobicContact CG1-CD1 3.63Å; F421-I442 HydrophobicContact CE2-CD1 4.34Å; I438-I442 PolarHBondContact O-N 3.21Å; L439-I442 HydrophobicContact CD2-CD1 4.02Å; L439-I442 WeakPolarHBondContact O-CA 3.47Å; L439-I442 WeakPolarHBondContact O-CB 3.4Å; L439-I442 PolarHBondContact O-N 3.45Å; H440-I442 VanDerWaalsContact C-N 3.28Å; H440-I442 PolarHBondContact O-N 3.45Å; I442-C444 VanDerWaalsContact C-N 3.33Å; I442-C444 PolarHBondContact O-N 2.87Å; I442-R445 PolarHBondContact O-N 2.94Å; I442-L447 HydrophobicContact CB-CD2 4.34Å; I442-L447 HydrophobicContact CG1-CD2 4.26Å; I442-L447 HydrophobicContact CG2-CD2 4.34Å
443	I	97.4	Very high	96.5	Very high	88 Å²	88	56.6 Å²	56.6	45%	0.451	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-42.2	179.8	-63.2	-61.3	0	0	0	111.6	Y148 F421 L425 L439 H440 R445	Y148-I443 HydrophobicContact CE1-CD1 4.29Å; F421-I443 HydrophobicContact CE1-CD1 4.05Å; F421-I443 HydrophobicContact CE1-CG1 4.38Å; F421-I443 HydrophobicContact CZ-CD1 4.13Å; F421-I443 HydrophobicContact CZ-CG1 4.37Å; L425-I443 HydrophobicContact CD2-CG1 4.11Å; L439-I443 PolarHBondContact O-N 2.99Å; L439-I443 VanDerWaalsContact O-N 3.09Å; H440-I443 PolarHBondContact O-N 3.25Å; I443-R445 PolarHBondContact O-N 2.94Å
444	C	97	Very high	96.3	Very high	58 Å²	58	54.2 Å²	54.2	39%	0.392	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	11.3	177	-63.7	0	0	0	0	114.3	H440 K441 I442 K446	H440-C444 PolarHBondContact CE1-SG 2.97Å; H440-C444 WeakPolarHBondContact O-CB 3.33Å; H440-C444 PolarHBondContact O-N 2.77Å; K441-C444 CarbonylContact O-C 3.58Å; I442-C444 VanDerWaalsContact C-N 3.33Å; I442-C444 PolarHBondContact O-N 2.87Å; C444-K446 HydrophobicContact CB-CG 4.35Å; C444-K446 PolarHBondContact O-N 2.88Å; C444-K446 VanDerWaalsContact O-N 3.12Å
445	R	96.1	Very high	96	Very high	123 Å²	123	52.1 Å²	52.1	46%	0.464	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	26.2	179.7	-153.9	60.1	172	-170	-6.3	115.1	Y148 K441 I442 I443 L447	Y148-R445 PolarHBondContact O-NH1 3.25Å; Y148-R445 PolarHBondContact O-NH2 3.34Å; K441-R445 PolarHBondContact O-N 3.41Å; K441-R445 VanDerWaalsContact O-N 3.14Å; I442-R445 PolarHBondContact O-N 2.94Å; I443-R445 PolarHBondContact O-N 2.94Å; R445-L447 VanDerWaalsContact C-N 3.26Å; R445-L447 PolarHBondContact O-N 3.39Å
446	K	96.3	Very high	95.7	Very high	139 Å²	139	53 Å²	53	60%	0.604	26%	0.257	S	S	*	.			trans	-88.7	59	173.2	-62.9	-176.6	-179.3	-179.4	0	110.7	K441 C444	K441-K446 HydrophobicContact CB-CB 4.11Å; K441-K446 HydrophobicContact CG-CB 4.23Å; K441-K446 WeakPolarHBondContact O-CA 3.27Å; K441-K446 PolarHBondContact O-N 3.49Å; C444-K446 HydrophobicContact CB-CG 4.35Å; C444-K446 PolarHBondContact O-N 2.88Å; C444-K446 VanDerWaalsContact O-N 3.12Å
447	L	96.8	Very high	94.9	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.058	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-79.4	156.9	-175.8	-51.9	179.3	0	0	0	112.4	V372 I376 M379 I442 R445	V372-L447 HydrophobicContact CG1-CD1 3.59Å; I376-L447 HydrophobicContact CD1-CD1 3.91Å; I376-L447 HydrophobicContact CD1-CD2 4.46Å; I376-L447 HydrophobicContact CG1-CD1 3.84Å; I376-L447 HydrophobicContact CG1-CD2 3.87Å; M379-L447 HydrophobicContact CE-CD2 4.41Å; M379-L447 HydrophobicContact SD-CB 4.24Å; M379-L447 HydrophobicContact SD-CD2 3.82Å; I442-L447 HydrophobicContact CB-CD2 4.34Å; I442-L447 HydrophobicContact CG1-CD2 4.26Å; I442-L447 HydrophobicContact CG2-CD2 4.34Å; R445-L447 VanDerWaalsContact C-N 3.26Å; R445-L447 PolarHBondContact O-N 3.39Å
448	Y	96.1	Very high	94.2	Very high	21 Å²	21	58.3 Å²	58.3	8%	0.082	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58.7	144.7	165.8	-52.6	-24.7	0	0	0	110.2	I375 M379 E382 C549 K550	I375-Y448 HydrophobicContact CD1-CD2 3.8Å; I375-Y448 HydrophobicContact CD1-CG 4.36Å; I375-Y448 HydrophobicContact CG1-CD2 4.19Å; I375-Y448 HydrophobicContact CG1-CG 4.37Å; M379-Y448 HydrophobicContact CE-CD1 4.39Å; M379-Y448 HydrophobicContact CE-CE1 4.15Å; M379-Y448 HydrophobicContact CG-CD2 3.69Å; M379-Y448 HydrophobicContact CG-CE1 4.4Å; M379-Y448 HydrophobicContact CG-CE2 3.52Å; M379-Y448 HydrophobicContact CG-CG 4.21Å; M379-Y448 HydrophobicContact SD-CD1 4.26Å; M379-Y448 HydrophobicContact SD-CD2 4.22Å; M379-Y448 HydrophobicContact SD-CE1 4.43Å; M379-Y448 HydrophobicContact SD-CE2 4.42Å; M379-Y448 HydrophobicContact SD-CG 4.14Å; E382-Y448 WeakPolarHBondContact OE2-CE2 3.25Å; E382-Y448 PolarHBondContact OE2-OH 3.32Å; Y448-C549 WeakPolarHBondContact CA-O 3.39Å; Y448-C549 WeakPolarHBondContact CB-O 3Å; Y448-K550 HydrophobicContact CD1-CB 4.01Å; Y448-K550 HydrophobicContact CD1-CG 4.03Å; Y448-K550 HydrophobicContact CD2-CG 3.95Å; Y448-K550 HydrophobicContact CE1-CB 4.03Å; Y448-K550 HydrophobicContact CE1-CD 4.47Å; Y448-K550 HydrophobicContact CE1-CG 3.97Å; Y448-K550 HydrophobicContact CE2-CD 4.17Å; Y448-K550 HydrophobicContact CE2-CG 3.87Å; Y448-K550 HydrophobicContact CG-CB 4.41Å; Y448-K550 HydrophobicContact CG-CG 4.04Å
449	K	95.1	Very high	93.5	Very high	94 Å²	94	61.6 Å²	61.6	41%	0.409	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.9	-170.6	-62.3	-62.6	-176.5	176.9	0	110.9	L451 Y548 C549 T552 L557	K449-L451 PolarHBondContact O-N 3.49Å; K449-Y548 CarbonylContact O-C 3.47Å; K449-Y548 WeakPolarHBondContact O-CA 3.24Å; K449-C549 PolarHBondContact N-O 3.3Å; K449-C549 PolarHBondContact O-N 2.92Å; K449-T552 HydrophobicContact CG-CG2 4.2Å; K449-L557 HydrophobicContact CB-CD1 4.44Å; K449-L557 HydrophobicContact CB-CD2 3.59Å; K449-L557 HydrophobicContact CG-CD1 3.92Å; K449-L557 HydrophobicContact CG-CD2 3.87Å
450	C	94.5	Very high	92.9	Very high	45 Å²	45	63.2 Å²	63.2	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.2	172.9	-174.2	0	0	0	0	109.5	Y548	C450-Y548 HydrophobicContact CB-CD1 3.67Å; C450-Y548 HydrophobicContact CB-CE1 3.66Å
451	L	93.3	Very high	92.3	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-36.3	177.3	-58.2	-179	0	0	0	111.2	K449 F493 V547 C549 L557 A560 K561 F564	K449-L451 PolarHBondContact O-N 3.49Å; L451-F493 HydrophobicContact CD1-CD1 3.96Å; L451-F493 HydrophobicContact CD1-CE1 3.73Å; L451-V547 HydrophobicContact CD1-CG1 3.85Å; L451-V547 PolarHBondContact N-O 3.11Å; L451-C549 HydrophobicContact CD1-CB 4.19Å; L451-C549 HydrophobicContact CD2-CB 3.81Å; L451-C549 HydrophobicContact CG-CB 4.14Å; L451-L557 HydrophobicContact CD2-CD2 4.37Å; L451-A560 HydrophobicContact CD1-CB 3.92Å; L451-A560 HydrophobicContact CD2-CB 3.91Å; L451-K561 HydrophobicContact CD2-CG 4.04Å; L451-F564 HydrophobicContact CB-CB 4.27Å; L451-F564 HydrophobicContact CB-CD1 4.32Å; L451-F564 HydrophobicContact CB-CG 4.28Å; L451-F564 HydrophobicContact CD1-CB 4.22Å
452	G	92.4	Very high	91.6	Very high	16 Å²	16	63.3 Å²	63.3	17%	0.165	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-173.6	176.7	0	0	0	0	0	113.1	V547	G452-V547 PolarHBondContact O-N 3.05Å
453	Q	93.8	Very high	91	Very high	52 Å²	52	65.7 Å²	65.7	24%	0.243	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.6	176.2	-175.5	-178.1	-76.1	0	0	109	L544 V545 R546	Q453-L544 HydrophobicContact CG-CB 4.32Å; Q453-V545 CarbonylContact C-O 3.46Å; Q453-V545 VanDerWaalsContact CA-O 3.31Å; Q453-V545 WeakPolarHBondContact CA-O 3.42Å; Q453-R546 HydrophobicContact CB-CG 4.07Å; Q453-R546 HydrophobicContact CG-CG 3.88Å
454	T	93.5	Very high	90.2	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	171.4	175.2	-174.9	0	0	0	0	110.2	V545 F564 F573 S574	T454-V545 HydrophobicContact CG2-CB 3.86Å; T454-V545 HydrophobicContact CG2-CG1 4.37Å; T454-V545 PolarHBondContact N-O 3.27Å; T454-V545 PolarHBondContact O-N 3.29Å; T454-F564 HydrophobicContact CG2-CE2 4.21Å; T454-F564 HydrophobicContact CG2-CZ 4.19Å; T454-F573 HydrophobicContact CG2-CB 4.22Å; T454-F573 HydrophobicContact CG2-CD2 3.79Å; T454-F573 HydrophobicContact CG2-CG 4.41Å; T454-F573 VanDerWaalsContact OG1-CB 3.27Å; T454-F573 WeakPolarHBondContact OG1-CB 3.48Å; T454-S574 PolarHBondContact OG1-N 2.96Å; T454-S574 PolarHBondContact OG1-O 3.31Å; T454-S574 PolarHBondContact OG1-OG 3.14Å
455	Q	91.9	Very high	89.7	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.36	37%	0.365	S	S	.	.			trans	-128.3	137.3	177.5	-62.1	-175.2	-14.4	0	0	110	L544 S574	Q455-L544 HydrophobicContact CG-CD2 3.72Å; Q455-S574 WeakPolarHBondContact CB-OG 3.38Å; Q455-S574 PolarHBondContact N-OG 3.06Å; Q455-S574 PolarHBondContact O-N 3.36Å
456	P	90	Very high	89.3	Confident	18 Å²	18	67.9 Å²	67.9	12%	0.117	36%	0.357	C	S	.	.			trans	-84.3	142.7	175.7	36.5	-34	0	0	0	110.9	K458 L460 Q543 F573	P456-K458 WeakPolarHBondContact CB-O 3.27Å; P456-K458 PolarHBondContact O-N 2.93Å; P456-L460 HydrophobicContact CB-CD1 3.89Å; P456-L460 HydrophobicContact CB-CD2 4.18Å; P456-L460 HydrophobicContact CB-CG 3.78Å; P456-L460 HydrophobicContact CG-CD1 3.94Å; P456-L460 HydrophobicContact CG-CG 3.86Å; P456-Q543 WeakPolarHBondContact CD-O 3.25Å; P456-Q543 HydrophobicContact CG-CB 3.92Å; P456-F573 HydrophobicContact CB-CD1 3.89Å; P456-F573 HydrophobicContact CB-CE1 3.6Å; P456-F573 HydrophobicContact CB-CZ 4.19Å
457	D	82.4	Confident	88.9	Confident	115 Å²	115	62.7 Å²	62.7	62%	0.615	34%	0.335	S	S	*	.	S	Bend	trans	-65.3	-30.5	174.8	-68.4	-12.8	0	0	0	112.3	N572	D457-N572 PolarHBondContact OD2-ND2 3.47Å
458	K	82.8	Confident	88.5	Confident	174 Å²	174	66.9 Å²	66.9	76%	0.757	35%	0.354	S	S	*	.	S	Bend	trans	-121	142.7	178.2	-63.6	-177.6	-177.1	175.4	0	109.6	P456 L460	P456-K458 WeakPolarHBondContact CB-O 3.27Å; P456-K458 PolarHBondContact O-N 2.93Å; K458-L460 PolarHBondContact O-N 3.18Å
459	A	83.2	Confident	88.3	Confident	82 Å²	82	68.3 Å²	68.3	68%	0.678	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-55.8	124.7	176.4	0	0	0	0	0	111
460	L	85.6	Confident	88.2	Confident	35 Å²	35	64.4 Å²	64.4	18%	0.183	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-84.4	137.7	176.6	-58.7	175.6	0	0	0	110	P456 K458 W470 Q543 V545 F573	P456-L460 HydrophobicContact CB-CD1 3.89Å; P456-L460 HydrophobicContact CB-CD2 4.18Å; P456-L460 HydrophobicContact CB-CG 3.78Å; P456-L460 HydrophobicContact CG-CD1 3.94Å; P456-L460 HydrophobicContact CG-CG 3.86Å; K458-L460 PolarHBondContact O-N 3.18Å; L460-W470 HydrophobicContact CB-CH2 4.12Å; L460-W470 HydrophobicContact CB-CZ2 4.34Å; L460-W470 HydrophobicContact CD1-CH2 4.24Å; L460-W470 HydrophobicContact CD1-CZ2 4.36Å; L460-Q543 PolarHBondContact O-NE2 3.24Å; L460-Q543 VanDerWaalsContact O-NE2 3.08Å; L460-V545 HydrophobicContact CD1-CG2 3.76Å; L460-F573 HydrophobicContact CD1-CZ 3.91Å; L460-F573 HydrophobicContact CD2-CE1 4.33Å; L460-F573 HydrophobicContact CD2-CZ 4.2Å
461	T	85.2	Confident	88	Confident	101 Å²	101	63.6 Å²	63.6	62%	0.62	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-83	122	166.6	-54.8	0	0	0	0	108.6	T463 N466	T461-T463 HydrophobicContact CG2-CG2 4.16Å; T461-N466 PolarHBondContact O-ND2 2.91Å
462	V	83.3	Confident	87.9	Confident	69 Å²	69	64.6 Å²	64.6	42%	0.418	35%	0.351	S	S	.	.			trans	-94.3	108.4	-179.4	-172.8	0	0	0	0	109	I467 V497	V462-I467 HydrophobicContact CG1-CD1 3.9Å; V462-I467 HydrophobicContact CG1-CG1 4.29Å; V462-V497 HydrophobicContact CG2-CB 3.64Å; V462-V497 HydrophobicContact CG2-CG1 3.63Å; V462-V497 HydrophobicContact CG2-CG2 4.05Å
463	T	84.1	Confident	87.9	Confident	53 Å²	53	66.2 Å²	66.2	33%	0.325	36%	0.356	S	S	.	.			trans	-126.2	158.3	169.1	64.5	0	0	0	0	108.8	T461 E465 N466 I467	T461-T463 HydrophobicContact CG2-CG2 4.16Å; T463-E465 PolarHBondContact O-N 3.21Å; T463-N466 PolarHBondContact O-N 3.13Å; T463-N466 VanDerWaalsContact O-N 3.14Å; T463-N466 WeakPolarHBondContact OG1-CB 3.36Å; T463-N466 PolarHBondContact OG1-N 3.29Å; T463-N466 PolarHBondContact OG1-ND2 2.96Å; T463-I467 WeakPolarHBondContact O-CG1 3.47Å; T463-I467 PolarHBondContact O-N 3.07Å
464	Q	81.3	Confident	87.7	Confident	100 Å²	100	63.7 Å²	63.7	47%	0.467	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-37.9	176.8	-167.9	60.6	30.4	0	0	111.4	I467 H468	Q464-I467 PolarHBondContact O-N 3.19Å; Q464-H468 PolarHBondContact NE2-CE1 2.95Å; Q464-H468 VanDerWaalsContact NE2-CE1 3.29Å; Q464-H468 PolarHBondContact NE2-NE2 2.69Å; Q464-H468 PolarHBondContact O-CD2 3.09Å; Q464-H468 PolarHBondContact O-N 3.35Å
465	E	85.9	Confident	87.5	Confident	161 Å²	161	64.2 Å²	64.2	75%	0.752	35%	0.348	S	S	*	.	H	α-helix	trans	-61.1	-44.7	174	-64.9	172.3	-176.7	0	0	112.1	T463 H468 S469	T463-E465 PolarHBondContact O-N 3.21Å; E465-H468 PolarHBondContact O-N 3.03Å; E465-S469 WeakPolarHBondContact O-CB 3.46Å; E465-S469 PolarHBondContact O-N 2.74Å
466	N	88.6	Confident	87.3	Confident	55 Å²	55	67.5 Å²	67.5	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-40.9	177.8	-74	-9.4	0	0	0	111.4	T461 T463 S469 W470	T461-N466 PolarHBondContact O-ND2 2.91Å; T463-N466 PolarHBondContact O-N 3.13Å; T463-N466 VanDerWaalsContact O-N 3.14Å; T463-N466 WeakPolarHBondContact OG1-CB 3.36Å; T463-N466 PolarHBondContact OG1-N 3.29Å; T463-N466 PolarHBondContact OG1-ND2 2.96Å; N466-S469 PolarHBondContact O-N 2.82Å; N466-W470 HydrophobicContact CB-CH2 4.07Å; N466-W470 HydrophobicContact CB-CZ2 3.74Å; N466-W470 PolarHBondContact O-N 3.24Å; N466-W470 PolarHBondContact O-NE1 2.76Å
467	I	87.7	Confident	87	Confident	29 Å²	29	67.3 Å²	67.3	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-47.5	176.6	-67.8	169.5	0	0	0	110.4	V462 T463 Q464 S469 W470 E471	V462-I467 HydrophobicContact CG1-CD1 3.9Å; V462-I467 HydrophobicContact CG1-CG1 4.29Å; T463-I467 WeakPolarHBondContact O-CG1 3.47Å; T463-I467 PolarHBondContact O-N 3.07Å; Q464-I467 PolarHBondContact O-N 3.19Å; I467-S469 VanDerWaalsContact C-N 3.34Å; I467-S469 PolarHBondContact O-N 2.68Å; I467-W470 HydrophobicContact CG1-CE3 4.23Å; I467-W470 HydrophobicContact CG1-CZ3 4.12Å; I467-W470 WeakPolarHBondContact O-CB 3.18Å; I467-W470 PolarHBondContact O-N 3.32Å; I467-E471 HydrophobicContact CG2-CG 4.49Å; I467-E471 WeakPolarHBondContact O-CG 3.46Å; I467-E471 PolarHBondContact O-N 3.31Å
468	H	88.7	Confident	86.8	Confident	99 Å²	99	65.5 Å²	65.5	46%	0.458	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-38.3	177.7	-71.1	-45.8	0	0	0	112.9	Q464 E465 W470 E471 A472	Q464-H468 PolarHBondContact NE2-CE1 2.95Å; Q464-H468 VanDerWaalsContact NE2-CE1 3.29Å; Q464-H468 PolarHBondContact NE2-NE2 2.69Å; Q464-H468 PolarHBondContact O-CD2 3.09Å; Q464-H468 PolarHBondContact O-N 3.35Å; E465-H468 PolarHBondContact O-N 3.03Å; H468-W470 VanDerWaalsContact C-N 3.3Å; H468-W470 PolarHBondContact O-N 3.32Å; H468-E471 IonicContact CE1-OE2 3.5Å; H468-E471 IonicContact ND1-OE2 3.59Å; H468-E471 PolarHBondContact ND1-OE2 3.23Å; H468-E471 VanDerWaalsContact ND1-OE2 3.09Å; H468-E471 PolarHBondContact O-N 2.84Å; H468-A472 WeakPolarHBondContact O-CB 3.27Å; H468-A472 PolarHBondContact O-N 2.93Å
469	S	91.2	Very high	86.2	Confident	51 Å²	51	57.3 Å²	57.3	36%	0.357	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-40.7	171	165.6	0	0	0	0	111.5	E465 N466 I467 A472 D473	E465-S469 WeakPolarHBondContact O-CB 3.46Å; E465-S469 PolarHBondContact O-N 2.74Å; N466-S469 PolarHBondContact O-N 2.82Å; I467-S469 VanDerWaalsContact C-N 3.34Å; I467-S469 PolarHBondContact O-N 2.68Å; S469-A472 PolarHBondContact O-N 3.2Å; S469-D473 WeakPolarHBondContact O-CB 3.38Å; S469-D473 PolarHBondContact O-N 3.5Å
470	W	92.2	Very high	85.4	Confident	13 Å²	13	62.5 Å²	62.5	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-36.9	-179.9	-59.8	-10.1	0	0	0	112.5	L460 N466 I467 H468 D473 L474 V495 V497 W567	L460-W470 HydrophobicContact CB-CH2 4.12Å; L460-W470 HydrophobicContact CB-CZ2 4.34Å; L460-W470 HydrophobicContact CD1-CH2 4.24Å; L460-W470 HydrophobicContact CD1-CZ2 4.36Å; N466-W470 HydrophobicContact CB-CH2 4.07Å; N466-W470 HydrophobicContact CB-CZ2 3.74Å; N466-W470 PolarHBondContact O-N 3.24Å; N466-W470 PolarHBondContact O-NE1 2.76Å; I467-W470 HydrophobicContact CG1-CE3 4.23Å; I467-W470 HydrophobicContact CG1-CZ3 4.12Å; I467-W470 WeakPolarHBondContact O-CB 3.18Å; I467-W470 PolarHBondContact O-N 3.32Å; H468-W470 VanDerWaalsContact C-N 3.3Å; H468-W470 PolarHBondContact O-N 3.32Å; W470-D473 PolarHBondContact O-N 2.71Å; W470-L474 WeakPolarHBondContact O-CB 3.34Å; W470-L474 WeakPolarHBondContact O-CD1 3.49Å; W470-L474 WeakPolarHBondContact O-CG 3.13Å; W470-L474 PolarHBondContact O-N 3.14Å; W470-V495 HydrophobicContact CB-CG2 4.3Å; W470-V495 HydrophobicContact CE3-CG1 3.97Å; W470-V497 HydrophobicContact CE3-CG2 4.27Å; W470-V497 HydrophobicContact CH2-CG2 4.09Å; W470-V497 HydrophobicContact CZ3-CG2 3.45Å; W470-V497 VanDerWaalsContact CZ3-CG2 3.45Å; W470-W567 HydrophobicContact CB-CZ2 3.86Å; W470-W567 HydrophobicContact CG-CZ2 4.1Å
471	E	91.4	Very high	84	Confident	27 Å²	27	64.1 Å²	64.1	13%	0.126	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-41.9	171.9	-71.3	167.9	166.8	0	0	111.2	I467 H468 L474 A475 P490 F493 V495	I467-E471 HydrophobicContact CG2-CG 4.49Å; I467-E471 WeakPolarHBondContact O-CG 3.46Å; I467-E471 PolarHBondContact O-N 3.31Å; H468-E471 IonicContact CE1-OE2 3.5Å; H468-E471 IonicContact ND1-OE2 3.59Å; H468-E471 PolarHBondContact ND1-OE2 3.23Å; H468-E471 VanDerWaalsContact ND1-OE2 3.09Å; H468-E471 PolarHBondContact O-N 2.84Å; E471-L474 PolarHBondContact O-N 2.74Å; E471-A475 PolarHBondContact O-N 2.87Å; E471-P490 HydrophobicContact CB-CB 4.3Å; E471-F493 HydrophobicContact CG-CB 4.46Å; E471-V495 HydrophobicContact CG-CG2 3.94Å
472	A	91.2	Very high	82.7	Confident	27 Å²	27	60 Å²	60	22%	0.223	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-44.3	175.4	0	0	0	0	0	112.7	H468 S469 L474 A475 Q476 P490	H468-A472 WeakPolarHBondContact O-CB 3.27Å; H468-A472 PolarHBondContact O-N 2.93Å; S469-A472 PolarHBondContact O-N 3.2Å; A472-L474 VanDerWaalsContact C-N 3.32Å; A472-L474 PolarHBondContact O-N 2.85Å; A472-A475 PolarHBondContact O-N 2.8Å; A472-Q476 WeakPolarHBondContact O-CG 3.38Å; A472-Q476 PolarHBondContact O-N 2.91Å; A472-Q476 VanDerWaalsContact O-N 3.15Å; A472-P490 HydrophobicContact CB-CG 4.39Å
473	D	91.2	Very high	81.3	Confident	50 Å²	50	60.6 Å²	60.6	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-41.6	176.6	-68.5	-6.1	0	0	0	111.2	S469 W470 A475 Q476 S477 R571	S469-D473 WeakPolarHBondContact O-CB 3.38Å; S469-D473 PolarHBondContact O-N 3.5Å; W470-D473 PolarHBondContact O-N 2.71Å; D473-A475 VanDerWaalsContact C-N 3.34Å; D473-A475 PolarHBondContact O-N 2.89Å; D473-Q476 CarbonylContact O-C 3.58Å; D473-Q476 PolarHBondContact O-N 2.82Å; D473-Q476 VanDerWaalsContact O-N 3.09Å; D473-S477 PolarHBondContact O-N 2.81Å; D473-S477 PolarHBondContact O-OG 2.91Å; D473-R571 IonicContact OD2-CZ 2.71Å; D473-R571 IonicContact OD2-NE 3.87Å; D473-R571 IonicContact OD2-NH2 2.65Å; D473-R571 PolarHBondContact OD2-NH2 3.41Å
474	L	90.1	Very high	80.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-41.1	176.8	-85	162.8	0	0	0	112.5	W470 E471 A472 Q476 F493 V495 V547 H563 F564 W567	W470-L474 WeakPolarHBondContact O-CB 3.34Å; W470-L474 WeakPolarHBondContact O-CD1 3.49Å; W470-L474 WeakPolarHBondContact O-CG 3.13Å; W470-L474 PolarHBondContact O-N 3.14Å; E471-L474 PolarHBondContact O-N 2.74Å; A472-L474 VanDerWaalsContact C-N 3.32Å; A472-L474 PolarHBondContact O-N 2.85Å; L474-Q476 PolarHBondContact O-N 3.33Å; L474-F493 HydrophobicContact CB-CD1 4.46Å; L474-F493 HydrophobicContact CB-CD2 4.22Å; L474-F493 HydrophobicContact CB-CE2 4.35Å; L474-F493 HydrophobicContact CB-CG 4.26Å; L474-F493 HydrophobicContact CD1-CB 4.49Å; L474-V495 HydrophobicContact CD1-CG2 3.4Å; L474-V495 VanDerWaalsContact CD1-CG2 3.4Å; L474-V547 HydrophobicContact CD1-CG1 3.66Å; L474-V547 HydrophobicContact CD1-CG2 4.04Å; L474-V547 HydrophobicContact CD2-CG1 4.42Å; L474-H563 PolarHBondContact O-ND1 2.84Å; L474-F564 HydrophobicContact CD2-CB 4.43Å; L474-F564 HydrophobicContact CD2-CD2 4.34Å; L474-W567 HydrophobicContact CD1-CD2 4.48Å; L474-W567 HydrophobicContact CD2-CB 3.6Å; L474-W567 HydrophobicContact CD2-CD2 3.57Å; L474-W567 HydrophobicContact CD2-CE3 3.82Å; L474-W567 HydrophobicContact CD2-CG 3.5Å; L474-W567 HydrophobicContact CG-CB 4.37Å; L474-W567 HydrophobicContact CG-CD2 3.77Å; L474-W567 HydrophobicContact CG-CE3 4.29Å; L474-W567 HydrophobicContact CG-CG 3.81Å
475	A	88.9	Confident	79.4	Confident	12 Å²	12	68 Å²	68	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-33.3	174.9	0	0	0	0	0	111.8	E471 A472 D473 L488 P490 F493 H563	E471-A475 PolarHBondContact O-N 2.87Å; A472-A475 PolarHBondContact O-N 2.8Å; D473-A475 VanDerWaalsContact C-N 3.34Å; D473-A475 PolarHBondContact O-N 2.89Å; A475-L488 WeakPolarHBondContact CB-O 3.29Å; A475-P490 HydrophobicContact CB-CG 4.12Å; A475-F493 HydrophobicContact CB-CE2 4.22Å; A475-H563 PolarHBondContact O-CE1 3.46Å; A475-H563 PolarHBondContact O-ND1 2.94Å
476	Q	87.8	Confident	79.1	Confident	147 Å²	147	62 Å²	62	69%	0.687	34%	0.336	S	S	*	.	H	α-helix	trans	-87.1	-20.5	-177.7	-67	175.3	24.9	0	0	115	A472 D473 L474 I478	A472-Q476 WeakPolarHBondContact O-CG 3.38Å; A472-Q476 PolarHBondContact O-N 2.91Å; A472-Q476 VanDerWaalsContact O-N 3.15Å; D473-Q476 CarbonylContact O-C 3.58Å; D473-Q476 PolarHBondContact O-N 2.82Å; D473-Q476 VanDerWaalsContact O-N 3.09Å; L474-Q476 PolarHBondContact O-N 3.33Å; Q476-I478 PolarHBondContact O-N 2.89Å
477	S	83.4	Confident	78.8	Confident	13 Å²	13	64.7 Å²	64.7	9%	0.091	35%	0.35	C	S	.	.			trans	-71.6	63	179.2	-76.3	0	0	0	0	112.8	D473 H563 D570	D473-S477 PolarHBondContact O-N 2.81Å; D473-S477 PolarHBondContact O-OG 2.91Å; S477-H563 WeakPolarHBondContact O-CA 3.46Å; S477-D570 PolarHBondContact OG-OD2 3.38Å
478	I	79.6	Confident	78.8	Confident	78 Å²	78	63.7 Å²	63.7	40%	0.4	35%	0.346	S	S	.	.			trans	-77.5	123.8	178.5	-57.4	169.6	0	0	0	109.3	Q476	Q476-I478 PolarHBondContact O-N 2.89Å
479	P	70.7	Confident	79	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.013	34%	0.341	C	S	.	.			trans	-71.6	143.3	175.3	10.5	-1.9	0	0	0	111.2	S481 G482 K562 L586	P479-S481 PolarHBondContact O-N 2.83Å; P479-G482 PolarHBondContact O-N 2.58Å; P479-K562 HydrophobicContact CG-CB 3.59Å; P479-L586 HydrophobicContact CB-CD1 3.91Å; P479-L586 HydrophobicContact CB-CD2 3.81Å; P479-L586 HydrophobicContact CB-CG 4.43Å; P479-L586 HydrophobicContact CG-CD1 4.25Å
480	H	64.8	Low	78.9	Confident	190 Å²	190	61.9 Å²	61.9	88%	0.88	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.3	-177.9	-67.2	59.6	0	0	0	113.4
481	S	57.2	Low	78.9	Confident	69 Å²	69	67.1 Å²	67.1	48%	0.483	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	2.2	178.7	50.5	0	0	0	0	113.9	P479	P479-S481 PolarHBondContact O-N 2.83Å
482	G	56.9	Low	79	Confident	16 Å²	16	66.9 Å²	66.9	17%	0.165	36%	0.359	C	S	.	.	S	Bend	trans	-84.4	148.8	-177.7	0	0	0	0	0	113.6	P479 H484	P479-G482 PolarHBondContact O-N 2.58Å; G482-H484 PolarHBondContact O-N 2.68Å
483	S	54.2	Low	79.1	Confident	81 Å²	81	65.7 Å²	65.7	57%	0.566	35%	0.349	S	S	*	.			trans	-66.4	122.5	169.3	55.6	0	0	0	0	110.1	D485	S483-D485 PolarHBondContact O-N 3.44Å
484	H	61.3	Low	79.3	Confident	152 Å²	152	63.9 Å²	63.9	70%	0.704	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	7.1	174	-67.3	-68.6	0	0	0	114.3	G482 V486	G482-H484 PolarHBondContact O-N 2.68Å; H484-V486 PolarHBondContact O-N 3.28Å
485	D	65.1	Low	79.5	Confident	156 Å²	156	64.2 Å²	64.2	83%	0.834	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.4	-171.2	-72.9	-15.6	0	0	0	114.4	S483	S483-D485 PolarHBondContact O-N 3.44Å
486	V	78.8	Confident	79.6	Confident	36 Å²	36	65.1 Å²	65.1	22%	0.218	35%	0.346	C	S	.	.			trans	-115.9	119.3	-179	-174.6	0	0	0	0	110.2	H484 L488 T556 A559	H484-V486 PolarHBondContact O-N 3.28Å; V486-L488 HydrophobicContact CG1-CG 4.24Å; V486-T556 HydrophobicContact CG1-CG2 3.97Å; V486-T556 WeakPolarHBondContact CG1-OG1 3.49Å; V486-A559 HydrophobicContact CB-CB 4.21Å; V486-A559 HydrophobicContact CG1-CB 4.41Å; V486-A559 HydrophobicContact CG2-CB 4.36Å
487	D	82.6	Confident	79.8	Confident	110 Å²	110	59.4 Å²	59.4	59%	0.588	32%	0.321	S	S	*	.			trans	-89.5	109.6	174.7	-172.2	35.5	0	0	0	110.7	Q489 K551	D487-Q489 PolarHBondContact OD1-NE2 3.24Å; D487-Q489 PolarHBondContact OD2-NE2 2.85Å; D487-K551 PolarHBondContact O-NZ 2.83Å
488	L	87.4	Confident	80.2	Confident	9 Å²	9	59 Å²	59	5%	0.047	32%	0.318	C	S	.	.			trans	-107.2	118.6	179.3	-82.5	167.7	0	0	0	109	A475 V486 D492 F493 T556 A559 A560	A475-L488 WeakPolarHBondContact CB-O 3.29Å; V486-L488 HydrophobicContact CG1-CG 4.24Å; L488-D492 HydrophobicContact CD2-CB 4.3Å; L488-F493 HydrophobicContact CB-CE2 4.1Å; L488-F493 HydrophobicContact CB-CZ 4.31Å; L488-F493 HydrophobicContact CD1-CZ 4.06Å; L488-F493 HydrophobicContact CD2-CE2 4.42Å; L488-F493 HydrophobicContact CD2-CZ 4.22Å; L488-F493 HydrophobicContact CG-CZ 4.45Å; L488-T556 HydrophobicContact CD2-CG2 3.39Å; L488-T556 HydrophobicContact CG-CG2 4.17Å; L488-A559 HydrophobicContact CD1-CB 4.08Å; L488-A560 HydrophobicContact CD1-CB 3.95Å; L488-A560 HydrophobicContact CD2-CB 4.37Å
489	Q	92.2	Very high	80.7	Confident	80 Å²	80	60 Å²	60	37%	0.374	32%	0.322	S	S	.	.			trans	-98.6	157.9	-178.6	-62.7	-62.8	-31.4	0	0	110.8	D487 E491 D492	D487-Q489 PolarHBondContact OD1-NE2 3.24Å; D487-Q489 PolarHBondContact OD2-NE2 2.85Å; Q489-E491 VanDerWaalsContact CB-OE2 3.26Å; Q489-E491 WeakPolarHBondContact CB-OE2 3.38Å; Q489-E491 PolarHBondContact O-N 3.12Å; Q489-E491 VanDerWaalsContact O-N 3.15Å; Q489-D492 PolarHBondContact N-OD2 3.05Å; Q489-D492 VanDerWaalsContact O-CB 3.3Å; Q489-D492 WeakPolarHBondContact O-CB 3.35Å; Q489-D492 PolarHBondContact O-N 2.93Å
490	P	91.1	Very high	81.6	Confident	32 Å²	32	60.1 Å²	60.1	21%	0.208	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.7	178.5	-25.8	35.5	0	0	0	112.9	E471 A472 A475 D492 F493	E471-P490 HydrophobicContact CB-CB 4.3Å; A472-P490 HydrophobicContact CB-CG 4.39Å; A475-P490 HydrophobicContact CB-CG 4.12Å; P490-D492 PolarHBondContact O-N 2.78Å; P490-F493 PolarHBondContact O-N 3.32Å; P490-F493 VanDerWaalsContact O-N 3.15Å
491	E	91.8	Very high	82.8	Confident	123 Å²	123	52.8 Å²	52.8	58%	0.575	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.4	-178.1	-52.9	73.5	-154	0	0	113.5	Q489 F493 K550	Q489-E491 VanDerWaalsContact CB-OE2 3.26Å; Q489-E491 WeakPolarHBondContact CB-OE2 3.38Å; Q489-E491 PolarHBondContact O-N 3.12Å; Q489-E491 VanDerWaalsContact O-N 3.15Å; E491-F493 VanDerWaalsContact C-N 3.26Å; E491-K550 WeakPolarHBondContact O-CD 3.3Å; E491-K550 WeakPolarHBondContact O-CE 3.46Å; E491-K550 PolarHBondContact O-NZ 3.49Å
492	D	92.3	Very high	84.1	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.118	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-74.8	-19.5	175.2	-67.5	-44.8	0	0	0	112.1	L488 Q489 P490 C549 K550 K551	L488-D492 HydrophobicContact CD2-CB 4.3Å; Q489-D492 PolarHBondContact N-OD2 3.05Å; Q489-D492 VanDerWaalsContact O-CB 3.3Å; Q489-D492 WeakPolarHBondContact O-CB 3.35Å; Q489-D492 PolarHBondContact O-N 2.93Å; P490-D492 PolarHBondContact O-N 2.78Å; D492-C549 CarbonylContact O-C 3.58Å; D492-C549 WeakPolarHBondContact O-CA 3.24Å; D492-K550 PolarHBondContact O-N 2.99Å; D492-K551 VanDerWaalsContact CG-CE 3.49Å; D492-K551 WeakPolarHBondContact OD1-CE 3.41Å; D492-K551 IonicContact OD1-NZ 3.09Å; D492-K551 VanDerWaalsContact OD2-CE 3.25Å; D492-K551 WeakPolarHBondContact OD2-CE 3.33Å; D492-K551 IonicContact OD2-NZ 3.49Å; D492-K551 PolarHBondContact OD2-NZ 2.7Å
493	F	94.4	Very high	85.4	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	152.7	179.4	-63.8	-80.2	0	0	0	111.8	L451 E471 L474 A475 L488 P490 E491 V547 Y548 A560	L451-F493 HydrophobicContact CD1-CD1 3.96Å; L451-F493 HydrophobicContact CD1-CE1 3.73Å; E471-F493 HydrophobicContact CG-CB 4.46Å; L474-F493 HydrophobicContact CB-CD1 4.46Å; L474-F493 HydrophobicContact CB-CD2 4.22Å; L474-F493 HydrophobicContact CB-CE2 4.35Å; L474-F493 HydrophobicContact CB-CG 4.26Å; L474-F493 HydrophobicContact CD1-CB 4.49Å; A475-F493 HydrophobicContact CB-CE2 4.22Å; L488-F493 HydrophobicContact CB-CE2 4.1Å; L488-F493 HydrophobicContact CB-CZ 4.31Å; L488-F493 HydrophobicContact CD1-CZ 4.06Å; L488-F493 HydrophobicContact CD2-CE2 4.42Å; L488-F493 HydrophobicContact CD2-CZ 4.22Å; L488-F493 HydrophobicContact CG-CZ 4.45Å; P490-F493 PolarHBondContact O-N 3.32Å; P490-F493 VanDerWaalsContact O-N 3.15Å; E491-F493 VanDerWaalsContact C-N 3.26Å; F493-V547 HydrophobicContact CD1-CG1 4Å; F493-Y548 CarbonylContact C-O 3.56Å; F493-Y548 WeakPolarHBondContact CA-O 3.46Å; F493-A560 HydrophobicContact CE1-CB 3.97Å; F493-A560 HydrophobicContact CZ-CB 4.29Å
494	V	94.4	Very high	86.9	Confident	13 Å²	13	49.4 Å²	49.4	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.9	167.2	179.2	0	0	0	0	107.3	T378 V547 Y548 K550	T378-V494 HydrophobicContact CG2-CG1 4.16Å; V494-V547 WeakPolarHBondContact O-CA 3.5Å; V494-Y548 HydrophobicContact CB-CD2 4.45Å; V494-Y548 HydrophobicContact CG1-CD2 4.48Å; V494-Y548 PolarHBondContact N-O 3.23Å; V494-Y548 PolarHBondContact O-N 3.27Å; V494-K550 HydrophobicContact CG2-CG 4.26Å
495	V	94.1	Very high	88.1	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.2	175.9	-174.8	0	0	0	0	109.5	W470 E471 L474 V545 V547	W470-V495 HydrophobicContact CB-CG2 4.3Å; W470-V495 HydrophobicContact CE3-CG1 3.97Å; E471-V495 HydrophobicContact CG-CG2 3.94Å; L474-V495 HydrophobicContact CD1-CG2 3.4Å; L474-V495 VanDerWaalsContact CD1-CG2 3.4Å; V495-V545 HydrophobicContact CG1-CG1 3.97Å; V495-V547 HydrophobicContact CG2-CG2 4.36Å
496	T	92.2	Very high	89.1	Confident	31 Å²	31	48 Å²	48	19%	0.19	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.7	177.4	-52	0	0	0	0	109.7	I498 R546	T496-I498 HydrophobicContact CG2-CD1 4.49Å; T496-I498 HydrophobicContact CG2-CG1 4.02Å; T496-R546 PolarHBondContact N-O 3.05Å; T496-R546 PolarHBondContact O-N 3.45Å
497	V	92.1	Very high	89.6	Confident	26 Å²	26	53 Å²	53	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.1	172.3	-175.9	0	0	0	0	108.9	V462 W470 L544 V545	V462-V497 HydrophobicContact CG2-CB 3.64Å; V462-V497 HydrophobicContact CG2-CG1 3.63Å; V462-V497 HydrophobicContact CG2-CG2 4.05Å; W470-V497 HydrophobicContact CE3-CG2 4.27Å; W470-V497 HydrophobicContact CH2-CG2 4.09Å; W470-V497 HydrophobicContact CZ3-CG2 3.45Å; W470-V497 VanDerWaalsContact CZ3-CG2 3.45Å; V497-L544 WeakPolarHBondContact CA-O 3.3Å; V497-V545 HydrophobicContact CG2-CG2 4.3Å
498	I	91.8	Very high	89.8	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.3	-174.6	-59.8	167.5	0	0	0	107.9	Q369 T496 M500 Q543 L544 R546	Q369-I498 HydrophobicContact CB-CG2 4.1Å; Q369-I498 HydrophobicContact CG-CG2 3.67Å; Q369-I498 VanDerWaalsContact OE1-CG2 3.32Å; T496-I498 HydrophobicContact CG2-CD1 4.49Å; T496-I498 HydrophobicContact CG2-CG1 4.02Å; I498-M500 HydrophobicContact CG2-CG 4.06Å; I498-Q543 WeakPolarHBondContact O-CA 3.44Å; I498-L544 HydrophobicContact CB-CB 4.3Å; I498-L544 PolarHBondContact N-O 3.29Å; I498-L544 PolarHBondContact O-N 2.94Å; I498-R546 HydrophobicContact CD1-CG 4.32Å
499	M	90.1	Very high	89.7	Confident	98 Å²	98	47.7 Å²	47.7	48%	0.483	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.6	169.7	-60.9	-60.7	-48.9	0	0	108.9	Q543	M499-Q543 HydrophobicContact CE-CG 3.67Å; M499-Q543 VanDerWaalsContact SD-CD 3.58Å; M499-Q543 HydrophobicContact SD-CG 3.41Å; M499-Q543 WeakPolarHBondContact SD-CG 3.5Å; M499-Q543 PolarHBondContact SD-NE2 2.82Å
500	M	89.4	Confident	89.6	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.8	169.3	-57.2	-157.5	63.1	0	0	108.7	H364 R365 I498 A541 E542 L544	H364-M500 HydrophobicContact CB-CE 3.62Å; R365-M500 HydrophobicContact CB-CE 4.17Å; R365-M500 HydrophobicContact CG-CE 3.2Å; R365-M500 HydrophobicContact CG-SD 3.84Å; I498-M500 HydrophobicContact CG2-CG 4.06Å; M500-A541 CarbonylContact O-C 3.54Å; M500-A541 WeakPolarHBondContact O-CA 3.45Å; M500-A541 WeakPolarHBondContact O-CB 3.41Å; M500-E542 HydrophobicContact CB-CG 3.73Å; M500-E542 HydrophobicContact CG-CG 4.37Å; M500-E542 PolarHBondContact N-O 3.29Å; M500-E542 PolarHBondContact O-N 2.91Å; M500-L544 HydrophobicContact CG-CD1 4.25Å; M500-L544 HydrophobicContact SD-CD1 3.56Å; M500-L544 VanDerWaalsContact SD-CD1 3.56Å; M500-L544 HydrophobicContact SD-CG 4.34Å
501	D	89.6	Confident	89.5	Confident	37 Å²	37	45.8 Å²	45.8	20%	0.198	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-178.2	177.4	64.7	26.7	0	0	0	112.2	R360 G503 K505 F540 A541	R360-D501 IonicContact CZ-OD1 2.87Å; R360-D501 VanDerWaalsContact CZ-OD1 3.3Å; R360-D501 VanDerWaalsContact NH1-C 3.33Å; R360-D501 PolarHBondContact NH1-O 2.8Å; R360-D501 IonicContact NH1-OD1 3.36Å; R360-D501 PolarHBondContact NH1-OD1 3.3Å; R360-D501 IonicContact NH2-OD1 3.23Å; R360-D501 PolarHBondContact NH2-OD1 3.08Å; D501-G503 VanDerWaalsContact C-N 3.33Å; D501-G503 WeakPolarHBondContact OD1-CA 3.31Å; D501-G503 PolarHBondContact OD1-N 2.9Å; D501-K505 PolarHBondContact OD2-N 2.99Å; D501-F540 CarbonylContact C-O 3.39Å; D501-F540 WeakPolarHBondContact CA-O 2.99Å; D501-A541 HydrophobicContact CB-CB 3.86Å
502	Y	85.3	Confident	89.4	Confident	21 Å²	21	42.5 Å²	42.5	8%	0.082	22%	0.215	C	C	.	.	S	Bend	trans	-95.8	22.9	171.4	-85.8	-129.4	0	0	0	112.2	F357 N361 P509 P537 F540	F357-Y502 HydrophobicContact CB-CD1 3.56Å; F357-Y502 HydrophobicContact CB-CE1 4.03Å; F357-Y502 HydrophobicContact CB-CG 4.39Å; F357-Y502 WeakPolarHBondContact CD1-O 3.36Å; F357-Y502 WeakPolarHBondContact CE1-O 3.12Å; F357-Y502 HydrophobicContact CG-CD1 4.41Å; N361-Y502 HydrophobicContact CB-CE2 4.13Å; Y502-P509 WeakPolarHBondContact O-CG 3.44Å; Y502-P537 HydrophobicContact CE1-CG 4.17Å; Y502-P537 VanDerWaalsContact OH-CG 3.31Å; Y502-P537 WeakPolarHBondContact OH-CG 3.4Å; Y502-F540 AromaticContact CD1-CD1 3.82Å; Y502-F540 HydrophobicContact CD1-CD1 3.82Å; Y502-F540 HydrophobicContact CD1-CE1 4.21Å; Y502-F540 HydrophobicContact CD2-CD1 4.33Å; Y502-F540 HydrophobicContact CE1-CD1 4.42Å; Y502-F540 AromaticContact CG-CD1 3.8Å; Y502-F540 HydrophobicContact CG-CD1 3.8Å; Y502-F540 PolarHBondContact N-O 3.15Å
503	G	83	Confident	89.4	Confident	33 Å²	33	41.8 Å²	41.8	34%	0.34	21%	0.212	S	C	.	.	S	Bend	trans	91.6	-2.4	179.1	0	0	0	0	0	114.3	D501	D501-G503 VanDerWaalsContact C-N 3.33Å; D501-G503 WeakPolarHBondContact OD1-CA 3.31Å; D501-G503 PolarHBondContact OD1-N 2.9Å
504	M	85.8	Confident	89.5	Confident	41 Å²	41	43.8 Å²	43.8	20%	0.202	22%	0.219	C	C	.	.	S	Bend	trans	-138	37.1	180	-69.5	-161.3	76.5	0	0	113.2	R299 E506 K507 P509 N512	R299-M504 VanDerWaalsContact O-CE 3.28Å; R299-M504 WeakPolarHBondContact O-CE 3.49Å; M504-E506 PolarHBondContact O-N 2.97Å; M504-K507 HydrophobicContact CB-CB 4.3Å; M504-K507 WeakPolarHBondContact O-CB 3.32Å; M504-K507 PolarHBondContact O-N 3.29Å; M504-K507 VanDerWaalsContact O-N 3.09Å; M504-P509 HydrophobicContact CB-CB 4.4Å; M504-P509 HydrophobicContact CG-CB 3.91Å; M504-P509 VanDerWaalsContact SD-CA 3.57Å; M504-P509 HydrophobicContact SD-CB 3.82Å; M504-N512 WeakPolarHBondContact CE-ND2 3.43Å; M504-N512 PolarHBondContact SD-ND2 2.9Å; M504-N512 VanDerWaalsContact SD-ND2 3.41Å
505	K	87	Confident	89.6	Confident	161 Å²	161	43.2 Å²	43.2	70%	0.7	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	-135.3	-175	-53	-178.6	178.4	-175.6	0	110	D501 K507	D501-K505 PolarHBondContact OD2-N 2.99Å; K505-K507 PolarHBondContact O-N 3.16Å; K505-K507 VanDerWaalsContact O-N 3.11Å
506	E	86.9	Confident	89.8	Confident	117 Å²	117	43.8 Å²	43.8	55%	0.547	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.5	178.9	-55.1	-54.3	143.1	0	0	115	M504 A541	M504-E506 PolarHBondContact O-N 2.97Å; E506-A541 VanDerWaalsContact OE1-CB 3.32Å; E506-A541 WeakPolarHBondContact OE1-CB 3.48Å
507	K	88.1	Confident	90	Very high	141 Å²	141	44 Å²	44	61%	0.613	22%	0.22	S	C	*	.	S	Bend	trans	-90.2	139	-173.8	-62.3	-178.4	179.9	179.5	0	110.9	M504 K505 P509	M504-K507 HydrophobicContact CB-CB 4.3Å; M504-K507 WeakPolarHBondContact O-CB 3.32Å; M504-K507 PolarHBondContact O-N 3.29Å; M504-K507 VanDerWaalsContact O-N 3.09Å; K505-K507 PolarHBondContact O-N 3.16Å; K505-K507 VanDerWaalsContact O-N 3.11Å; K507-P509 VanDerWaalsContact O-CD 3.31Å; K507-P509 WeakPolarHBondContact O-CD 3.36Å
508	N	87.2	Confident	90.1	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	24%	0.242	C	C	.	.			trans	-66.3	116.1	167.2	-179.7	5.7	0	0	0	110	Y354 I510 N511 F540	Y354-N508 PolarHBondContact OH-ND2 2.82Å; N508-I510 PolarHBondContact O-N 3.04Å; N508-I510 WeakPolarHBondContact OD1-CB 3.17Å; N508-I510 PolarHBondContact OD1-N 2.66Å; N508-I510 VanDerWaalsContact OD1-N 3.11Å; N508-N511 PolarHBondContact ND2-OD1 3.37Å; N508-N511 WeakPolarHBondContact O-CB 3.47Å; N508-N511 PolarHBondContact O-N 3.26Å; N508-N511 VanDerWaalsContact O-N 3.16Å; N508-F540 HydrophobicContact CB-CD1 4.14Å; N508-F540 HydrophobicContact CB-CD2 4Å; N508-F540 HydrophobicContact CB-CE1 3.79Å; N508-F540 HydrophobicContact CB-CE2 3.66Å; N508-F540 HydrophobicContact CB-CG 4.24Å; N508-F540 HydrophobicContact CB-CZ 3.55Å
509	P	85.7	Confident	90.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.1	-178.4	27.2	-37.8	0	0	0	113.4	F357 Y502 M504 K507 N511 N512	F357-P509 HydrophobicContact CD1-CB 4.34Å; F357-P509 HydrophobicContact CD1-CG 3.64Å; F357-P509 HydrophobicContact CD2-CB 4.47Å; F357-P509 HydrophobicContact CD2-CG 3.64Å; F357-P509 HydrophobicContact CE1-CB 3.65Å; F357-P509 HydrophobicContact CE1-CG 3.46Å; F357-P509 VanDerWaalsContact CE1-CG 3.46Å; F357-P509 HydrophobicContact CE2-CB 3.82Å; F357-P509 HydrophobicContact CE2-CG 3.48Å; F357-P509 VanDerWaalsContact CE2-CG 3.48Å; F357-P509 HydrophobicContact CG-CG 3.74Å; F357-P509 HydrophobicContact CZ-CB 3.36Å; F357-P509 HydrophobicContact CZ-CG 3.39Å; Y502-P509 WeakPolarHBondContact O-CG 3.44Å; M504-P509 HydrophobicContact CB-CB 4.4Å; M504-P509 HydrophobicContact CG-CB 3.91Å; M504-P509 VanDerWaalsContact SD-CA 3.57Å; M504-P509 HydrophobicContact SD-CB 3.82Å; K507-P509 VanDerWaalsContact O-CD 3.31Å; K507-P509 WeakPolarHBondContact O-CD 3.36Å; P509-N511 PolarHBondContact O-N 3.29Å; P509-N512 PolarHBondContact O-N 2.92Å; P509-N512 VanDerWaalsContact O-N 3.08Å
510	I	89.2	Confident	90.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.9	178.8	-59.1	-65.9	0	0	0	112	V350 L353 Y354 F357 N508 N512 V513 F515	V350-I510 HydrophobicContact CG2-CG2 4.21Å; L353-I510 HydrophobicContact CB-CD1 3.5Å; L353-I510 HydrophobicContact CD1-CD1 4.15Å; L353-I510 HydrophobicContact CG-CD1 4.5Å; Y354-I510 HydrophobicContact CD1-CG1 4.29Å; Y354-I510 HydrophobicContact CD2-CG1 4.42Å; Y354-I510 HydrophobicContact CE1-CG1 3.9Å; Y354-I510 HydrophobicContact CE2-CG1 4.01Å; Y354-I510 HydrophobicContact CE2-CG2 4.24Å; F357-I510 HydrophobicContact CD2-CD1 3.91Å; F357-I510 HydrophobicContact CD2-CG1 4.29Å; F357-I510 HydrophobicContact CE2-CD1 3.64Å; F357-I510 HydrophobicContact CE2-CG1 4.25Å; N508-I510 PolarHBondContact O-N 3.04Å; N508-I510 WeakPolarHBondContact OD1-CB 3.17Å; N508-I510 PolarHBondContact OD1-N 2.66Å; N508-I510 VanDerWaalsContact OD1-N 3.11Å; I510-N512 PolarHBondContact O-N 3.17Å; I510-N512 VanDerWaalsContact O-N 3.14Å; I510-V513 HydrophobicContact CD1-CG2 4.41Å; I510-V513 WeakPolarHBondContact O-CB 3.48Å; I510-V513 PolarHBondContact O-N 2.63Å; I510-F515 HydrophobicContact CG2-CE2 4.27Å; I510-F515 HydrophobicContact CG2-CZ 4.19Å
511	N	88.8	Confident	90.7	Very high	72 Å²	72	56.8 Å²	56.8	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-63.9	-21.5	178.7	-66.7	-4.6	0	0	0	112.9	N508 P509	N508-N511 PolarHBondContact ND2-OD1 3.37Å; N508-N511 WeakPolarHBondContact O-CB 3.47Å; N508-N511 PolarHBondContact O-N 3.26Å; N508-N511 VanDerWaalsContact O-N 3.16Å; P509-N511 PolarHBondContact O-N 3.29Å
512	N	89.8	Confident	90.8	Very high	54 Å²	54	60 Å²	60	29%	0.289	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-100.2	2.9	177.8	-61.6	-47.5	0	0	0	112.8	R299 N300 M504 P509 I510	R299-N512 PolarHBondContact NH1-O 3.44Å; N300-N512 HydrophobicContact CB-CB 3.95Å; M504-N512 WeakPolarHBondContact CE-ND2 3.43Å; M504-N512 PolarHBondContact SD-ND2 2.9Å; M504-N512 VanDerWaalsContact SD-ND2 3.41Å; P509-N512 PolarHBondContact O-N 2.92Å; P509-N512 VanDerWaalsContact O-N 3.08Å; I510-N512 PolarHBondContact O-N 3.17Å; I510-N512 VanDerWaalsContact O-N 3.14Å
513	V	93.7	Very high	91.3	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.042	33%	0.33	C	S	.	.			trans	-84.8	143.5	173.5	-177.1	0	0	0	0	109.4	N300 I302 L353 I510 F515	N300-V513 HydrophobicContact CB-CG2 4.23Å; I302-V513 HydrophobicContact CD1-CG1 4.47Å; I302-V513 HydrophobicContact CD1-CG2 3.48Å; I302-V513 VanDerWaalsContact CD1-CG2 3.48Å; L353-V513 HydrophobicContact CD1-CG1 3.76Å; L353-V513 HydrophobicContact CD1-CG2 4.32Å; I510-V513 HydrophobicContact CD1-CG2 4.41Å; I510-V513 WeakPolarHBondContact O-CB 3.48Å; I510-V513 PolarHBondContact O-N 2.63Å; V513-F515 HydrophobicContact CB-CE2 3.86Å; V513-F515 HydrophobicContact CB-CZ 4.09Å; V513-F515 HydrophobicContact CG1-CD2 4.25Å; V513-F515 HydrophobicContact CG1-CE1 4.16Å; V513-F515 HydrophobicContact CG1-CE2 3.72Å; V513-F515 HydrophobicContact CG1-CZ 3.67Å
514	R	95.4	Very high	91.9	Very high	43 Å²	43	64.9 Å²	64.9	16%	0.162	32%	0.323	C	S	.	.			trans	-109.4	134.5	174	-60.3	-63.2	-174.8	148.4	11.5	108.4	V337 D338 C344 T345 A524 K526	V337-R514 HydrophobicContact CG2-CG 4.25Å; D338-R514 IonicContact OD2-NH2 2.72Å; D338-R514 PolarHBondContact OD2-NH2 2.9Å; C344-R514 WeakPolarHBondContact CA-O 3.37Å; C344-R514 HydrophobicContact CB-CB 4.44Å; C344-R514 WeakPolarHBondContact CB-O 3.46Å; C344-R514 WeakPolarHBondContact SG-CB 2.98Å; T345-R514 PolarHBondContact N-O 3.35Å; R514-A524 HydrophobicContact CB-CB 4.4Å; R514-K526 VanDerWaalsContact NH1-CE 3.32Å
515	F	97.1	Very high	92.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	165.4	-179.9	-61.6	-92.6	0	0	0	110.3	T345 V350 L353 I510 V513 A524 I525 I527	T345-F515 HydrophobicContact CG2-CD1 3.58Å; T345-F515 HydrophobicContact CG2-CE1 3.62Å; T345-F515 CarbonylContact O-C 3.35Å; T345-F515 WeakPolarHBondContact O-CA 3.4Å; V350-F515 HydrophobicContact CB-CE1 3.89Å; V350-F515 HydrophobicContact CB-CZ 4.04Å; V350-F515 HydrophobicContact CG2-CE1 4.29Å; V350-F515 HydrophobicContact CG2-CZ 3.91Å; L353-F515 HydrophobicContact CD1-CE1 3.93Å; L353-F515 HydrophobicContact CD1-CZ 3.96Å; I510-F515 HydrophobicContact CG2-CE2 4.27Å; I510-F515 HydrophobicContact CG2-CZ 4.19Å; V513-F515 HydrophobicContact CB-CE2 3.86Å; V513-F515 HydrophobicContact CB-CZ 4.09Å; V513-F515 HydrophobicContact CG1-CD2 4.25Å; V513-F515 HydrophobicContact CG1-CE1 4.16Å; V513-F515 HydrophobicContact CG1-CE2 3.72Å; V513-F515 HydrophobicContact CG1-CZ 3.67Å; F515-A524 CarbonylContact O-C 3.29Å; F515-A524 VanDerWaalsContact O-CA 3.27Å; F515-A524 WeakPolarHBondContact O-CA 3.32Å; F515-I525 HydrophobicContact CB-CG1 3.87Å; F515-I525 PolarHBondContact N-O 2.9Å; F515-I525 WeakPolarHBondContact O-CG1 3.49Å; F515-I525 PolarHBondContact O-N 3.4Å; F515-I527 HydrophobicContact CB-CD1 4.01Å; F515-I527 HydrophobicContact CB-CG1 4.33Å; F515-I527 HydrophobicContact CD1-CD1 3.86Å; F515-I527 HydrophobicContact CD2-CB 4.04Å; F515-I527 HydrophobicContact CD2-CD1 3.76Å; F515-I527 HydrophobicContact CD2-CG1 3.7Å; F515-I527 HydrophobicContact CE1-CD1 4.25Å; F515-I527 HydrophobicContact CE2-CB 4.01Å; F515-I527 HydrophobicContact CE2-CD1 4.15Å; F515-I527 HydrophobicContact CE2-CG1 4.15Å; F515-I527 HydrophobicContact CG-CD1 3.6Å; F515-I527 HydrophobicContact CG-CG1 4Å; F515-I527 HydrophobicContact CZ-CD1 4.38Å
516	Y	97.3	Very high	92.7	Very high	19 Å²	19	63.3 Å²	63.3	8%	0.075	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.5	165.7	70.3	-95.4	0	0	0	110.4	F331 R333 C344 T345 R346 D347 P521	F331-Y516 WeakPolarHBondContact O-CE1 3.4Å; F331-Y516 PolarHBondContact O-OH 2.97Å; R333-Y516 HydrophobicContact CB-CD1 4.16Å; R333-Y516 HydrophobicContact CB-CE1 3.78Å; R333-Y516 HydrophobicContact CG-CD1 4.46Å; R333-Y516 HydrophobicContact CG-CE1 3.7Å; C344-Y516 HydrophobicContact CB-CD1 4.23Å; T345-Y516 WeakPolarHBondContact O-CD1 3.5Å; T345-Y516 PolarHBondContact O-N 2.68Å; R346-Y516 HydrophobicContact CB-CE1 4.19Å; R346-Y516 HydrophobicContact CB-CE2 4.11Å; R346-Y516 HydrophobicContact CG-CE2 4.15Å; D347-Y516 PolarHBondContact N-O 3.42Å; Y516-P521 HydrophobicContact CD2-CB 4.09Å; Y516-P521 HydrophobicContact CE2-CB 4.26Å
517	C	96.3	Very high	93	Very high	37 Å²	37	58.7 Å²	58.7	25%	0.25	30%	0.296	C	S	.	.			trans	-93.9	153.7	176.7	-176.7	0	0	0	0	110.6	D519 D520	C517-D519 PolarHBondContact O-N 3.29Å; C517-D520 CarbonylContact O-C 3.52Å; C517-D520 PolarHBondContact O-N 3.43Å; C517-D520 VanDerWaalsContact O-O 3.08Å
518	K	94.9	Very high	93.1	Very high	144 Å²	144	56 Å²	56	63%	0.626	29%	0.288	S	S	*	.	S	Bend	trans	-57.3	-36.9	173.8	-175.2	-172.5	171.9	-167.2	0	112.4	D520	K518-D520 VanDerWaalsContact C-N 3.34Å
519	D	95.2	Very high	93.2	Very high	146 Å²	146	58.1 Å²	58.1	78%	0.781	30%	0.297	S	S	*	.	S	Bend	trans	-74.8	-27.7	-173.2	-58.8	-26.2	0	0	0	112.3	C517	C517-D519 PolarHBondContact O-N 3.29Å
520	D	94.6	Very high	93.4	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	33%	0.331	S	S	.	.			trans	-138.1	92.4	170.4	-175.6	-10.1	0	0	0	110	C517 K518 T522 K523	C517-D520 CarbonylContact O-C 3.52Å; C517-D520 PolarHBondContact O-N 3.43Å; C517-D520 VanDerWaalsContact O-O 3.08Å; K518-D520 VanDerWaalsContact C-N 3.34Å; D520-T522 PolarHBondContact O-N 2.96Å; D520-T522 PolarHBondContact OD1-N 3.23Å; D520-T522 PolarHBondContact OD1-OG1 3.11Å; D520-K523 HydrophobicContact CB-CB 4.34Å; D520-K523 PolarHBondContact OD1-N 3.36Å; D520-K523 VanDerWaalsContact OD2-CB 3.23Å; D520-K523 WeakPolarHBondContact OD2-CB 3.29Å
521	P	93.5	Very high	93.4	Very high	50 Å²	50	70.6 Å²	70.6	33%	0.325	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.7	179	-19.7	33.5	0	0	0	114.9	Y516	Y516-P521 HydrophobicContact CD2-CB 4.09Å; Y516-P521 HydrophobicContact CE2-CB 4.26Å
522	T	92.4	Very high	93.6	Very high	105 Å²	105	69.4 Å²	69.4	64%	0.644	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-23.6	-176.9	67.6	0	0	0	0	112.3	C335 D520	C335-T522 WeakPolarHBondContact CB-O 2.98Å; D520-T522 PolarHBondContact O-N 2.96Å; D520-T522 PolarHBondContact OD1-N 3.23Å; D520-T522 PolarHBondContact OD1-OG1 3.11Å
523	K	94.4	Very high	93.6	Very high	133 Å²	133	68.9 Å²	68.9	58%	0.578	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-92.7	121.9	-176.2	-174.2	175.1	-176.4	176.1	0	112.1	D520	D520-K523 HydrophobicContact CB-CB 4.34Å; D520-K523 PolarHBondContact OD1-N 3.36Å; D520-K523 VanDerWaalsContact OD2-CB 3.23Å; D520-K523 WeakPolarHBondContact OD2-CB 3.29Å
524	A	96.4	Very high	93.5	Very high	22 Å²	22	78.4 Å²	78.4	18%	0.182	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138	173.1	0	0	0	0	0	111.9	C335 V337 R514 F515	C335-A524 HydrophobicContact CB-CB 4.02Å; V337-A524 HydrophobicContact CG2-CB 3.4Å; V337-A524 VanDerWaalsContact CG2-CB 3.4Å; R514-A524 HydrophobicContact CB-CB 4.4Å; F515-A524 CarbonylContact O-C 3.29Å; F515-A524 VanDerWaalsContact O-CA 3.27Å; F515-A524 WeakPolarHBondContact O-CA 3.32Å
525	I	95.6	Very high	93.3	Very high	61 Å²	61	84.2 Å²	84.2	31%	0.313	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	165.8	174.5	67	174.2	0	0	0	110.4	D347 F515	D347-I525 HydrophobicContact CB-CD1 4.46Å; F515-I525 HydrophobicContact CB-CG1 3.87Å; F515-I525 PolarHBondContact N-O 2.9Å; F515-I525 WeakPolarHBondContact O-CG1 3.49Å; F515-I525 PolarHBondContact O-N 3.4Å
526	K	95.1	Very high	93	Very high	108 Å²	108	85.5 Å²	85.5	47%	0.47	44%	0.436	S	S	.	.			trans	-112.2	147	170	-79	177.6	162.1	170.8	0	109	R514	R514-K526 VanDerWaalsContact NH1-CE 3.32Å
527	I	92.8	Very high	92.5	Very high	20 Å²	20	86.6 Å²	86.6	10%	0.103	45%	0.446	C	S	.	.			trans	-120	125.7	174.6	-59.1	177.3	0	0	0	107.6	D347 V350 F515 Q531 V532	D347-I527 HydrophobicContact CB-CD1 3.91Å; V350-I527 HydrophobicContact CB-CD1 4.34Å; V350-I527 HydrophobicContact CG2-CG2 4.29Å; F515-I527 HydrophobicContact CB-CD1 4.01Å; F515-I527 HydrophobicContact CB-CG1 4.33Å; F515-I527 HydrophobicContact CD1-CD1 3.86Å; F515-I527 HydrophobicContact CD2-CB 4.04Å; F515-I527 HydrophobicContact CD2-CD1 3.76Å; F515-I527 HydrophobicContact CD2-CG1 3.7Å; F515-I527 HydrophobicContact CE1-CD1 4.25Å; F515-I527 HydrophobicContact CE2-CB 4.01Å; F515-I527 HydrophobicContact CE2-CD1 4.15Å; F515-I527 HydrophobicContact CE2-CG1 4.15Å; F515-I527 HydrophobicContact CG-CD1 3.6Å; F515-I527 HydrophobicContact CG-CG1 4Å; F515-I527 HydrophobicContact CZ-CD1 4.38Å; I527-Q531 HydrophobicContact CG2-CB 4.25Å; I527-V532 HydrophobicContact CG2-CG2 3.57Å
528	N	89.3	Confident	92.2	Very high	85 Å²	85	92.4 Å²	92.4	46%	0.455	47%	0.469	S	S	.	.			trans	-92.4	153.4	179.8	-65.4	-38.5	0	0	0	111.2	N530 Q531	N528-N530 VanDerWaalsContact C-N 3.25Å; N528-N530 WeakPolarHBondContact CB-OD1 3.36Å; N528-N530 PolarHBondContact O-N 2.86Å; N528-N530 VanDerWaalsContact O-N 3.16Å; N528-Q531 HydrophobicContact CB-CG 4.45Å; N528-Q531 WeakPolarHBondContact O-CB 3.43Å; N528-Q531 PolarHBondContact O-N 3.39Å
529	K	89.8	Confident	91.9	Very high	52 Å²	52	92.5 Å²	92.5	23%	0.226	47%	0.472	C	S	.	.	H	α-helix	trans	-49.6	-43.5	-179.6	-176.2	-169.9	171.5	-172.9	0	113.1	Q531 V532 S533 L536 P537	K529-Q531 PolarHBondContact O-N 3.38Å; K529-V532 PolarHBondContact O-N 3.27Å; K529-S533 PolarHBondContact O-N 2.97Å; K529-L536 HydrophobicContact CD-CB 4.32Å; K529-L536 VanDerWaalsContact CE-CB 3.44Å; K529-L536 WeakPolarHBondContact CE-O 3.35Å; K529-L536 HydrophobicContact CG-CB 4.06Å; K529-L536 HydrophobicContact CG-CD1 3.82Å; K529-L536 PolarHBondContact NZ-O 3.08Å; K529-P537 VanDerWaalsContact CE-O 3.26Å; K529-P537 WeakPolarHBondContact CE-O 3.42Å; K529-P537 PolarHBondContact NZ-O 2.55Å
530	N	89.7	Confident	91.6	Very high	134 Å²	134	86.5 Å²	86.5	72%	0.717	44%	0.439	S	S	*	.	H	α-helix	trans	-66.4	-20.4	-178.8	65.4	-22.3	0	0	0	114	N528 V532	N528-N530 VanDerWaalsContact C-N 3.25Å; N528-N530 WeakPolarHBondContact CB-OD1 3.36Å; N528-N530 PolarHBondContact O-N 2.86Å; N528-N530 VanDerWaalsContact O-N 3.16Å; N530-V532 VanDerWaalsContact C-N 3.33Å
531	Q	90.2	Very high	91.4	Very high	129 Å²	129	84.3 Å²	84.3	60%	0.603	43%	0.43	S	S	*	.	H	α-helix	trans	-83.5	-13.1	174.3	-60.5	174.7	-66	0	0	112.3	I527 N528 K529	I527-Q531 HydrophobicContact CG2-CB 4.25Å; N528-Q531 HydrophobicContact CB-CG 4.45Å; N528-Q531 WeakPolarHBondContact O-CB 3.43Å; N528-Q531 PolarHBondContact O-N 3.39Å; K529-Q531 PolarHBondContact O-N 3.38Å
532	V	91.2	Very high	91.2	Very high	46 Å²	46	84.5 Å²	84.5	28%	0.279	43%	0.426	S	S	.	.	H	α-helix	trans	-99.1	-64.6	-175.1	-176.3	0	0	0	0	110.8	V350 Y354 I527 K529 N530 L536	V350-V532 HydrophobicContact CG1-CG1 4.19Å; V350-V532 HydrophobicContact CG1-CG2 4.12Å; V350-V532 HydrophobicContact CG2-CG1 4.33Å; V350-V532 HydrophobicContact CG2-CG2 3.64Å; Y354-V532 HydrophobicContact CD2-CG1 4.05Å; Y354-V532 HydrophobicContact CE2-CB 4.25Å; Y354-V532 HydrophobicContact CE2-CG1 3.87Å; Y354-V532 HydrophobicContact CE2-CG2 4.15Å; I527-V532 HydrophobicContact CG2-CG2 3.57Å; K529-V532 PolarHBondContact O-N 3.27Å; N530-V532 VanDerWaalsContact C-N 3.33Å; V532-L536 HydrophobicContact CB-CD1 3.8Å; V532-L536 HydrophobicContact CG1-CD1 3.85Å
533	S	91	Very high	91.2	Very high	44 Å²	44	80.6 Å²	80.6	31%	0.308	40%	0.4	S	S	.	.			trans	-167.2	145	179.8	174.9	0	0	0	0	111.9	K529 L535	K529-S533 PolarHBondContact O-N 2.97Å; S533-L535 PolarHBondContact O-N 2.82Å; S533-L535 PolarHBondContact OG-N 3.32Å
534	K	90.9	Very high	91.1	Very high	207 Å²	207	74.6 Å²	74.6	90%	0.9	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.7	171	-67.4	-173.5	178.7	-176.7	0	113.1	L536	K534-L536 PolarHBondContact O-N 2.93Å
535	L	91.1	Very high	91	Very high	164 Å²	164	73.6 Å²	73.6	86%	0.859	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	4.8	-179.4	-58.2	177.1	0	0	0	113.5	S533	S533-L535 PolarHBondContact O-N 2.82Å; S533-L535 PolarHBondContact OG-N 3.32Å
536	L	90.3	Very high	91	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.141	35%	0.354	C	S	.	.	S	Bend	trans	-80.2	149.4	180	-68	172.9	0	0	0	111.6	Y354 K529 V532 K534 E538	Y354-L536 HydrophobicContact CD1-CD1 4.5Å; Y354-L536 HydrophobicContact CD1-CD2 3.64Å; Y354-L536 HydrophobicContact CD2-CD1 4.26Å; Y354-L536 HydrophobicContact CD2-CD2 4.11Å; Y354-L536 HydrophobicContact CE1-CD1 3.92Å; Y354-L536 HydrophobicContact CE1-CD2 3.81Å; Y354-L536 HydrophobicContact CE1-CG 4.36Å; Y354-L536 HydrophobicContact CE2-CD1 3.66Å; Y354-L536 HydrophobicContact CE2-CD2 4.28Å; Y354-L536 HydrophobicContact CG-CD2 3.8Å; Y354-L536 VanDerWaalsContact CZ-CD1 3.46Å; K529-L536 HydrophobicContact CD-CB 4.32Å; K529-L536 VanDerWaalsContact CE-CB 3.44Å; K529-L536 WeakPolarHBondContact CE-O 3.35Å; K529-L536 HydrophobicContact CG-CB 4.06Å; K529-L536 HydrophobicContact CG-CD1 3.82Å; K529-L536 PolarHBondContact NZ-O 3.08Å; V532-L536 HydrophobicContact CB-CD1 3.8Å; V532-L536 HydrophobicContact CG1-CD1 3.85Å; K534-L536 PolarHBondContact O-N 2.93Å; L536-E538 PolarHBondContact O-N 3.06Å
537	P	88.6	Confident	91	Very high	42 Å²	42	66.2 Å²	66.2	27%	0.273	33%	0.331	S	S	.	.			trans	-52.7	135.8	-179.1	-24	30.7	0	0	0	113.6	Y502 K529 F540	Y502-P537 HydrophobicContact CE1-CG 4.17Å; Y502-P537 VanDerWaalsContact OH-CG 3.31Å; Y502-P537 WeakPolarHBondContact OH-CG 3.4Å; K529-P537 VanDerWaalsContact CE-O 3.26Å; K529-P537 WeakPolarHBondContact CE-O 3.42Å; K529-P537 PolarHBondContact NZ-O 2.55Å; P537-F540 WeakPolarHBondContact O-CZ 3.27Å
538	E	88.6	Confident	91.2	Very high	160 Å²	160	65.3 Å²	65.3	75%	0.748	33%	0.327	S	S	*	.	S	Bend	trans	-79.2	-38.6	174.2	-62.5	-166.2	155.9	0	0	112.4	L536	L536-E538 PolarHBondContact O-N 3.06Å
539	H	88.6	Confident	91.5	Very high	146 Å²	146	61.2 Å²	61.2	68%	0.676	31%	0.305	S	S	*	.			trans	-107.3	142.4	175.6	-58.7	-77	0	0	0	110.6
540	F	88.6	Confident	91.7	Very high	19 Å²	19	61.9 Å²	61.9	8%	0.083	31%	0.308	C	S	.	.	S	Bend	trans	-113.5	-0.9	-176.3	-67.9	-85.4	0	0	0	113.5	D501 Y502 N508 P537	D501-F540 CarbonylContact C-O 3.39Å; D501-F540 WeakPolarHBondContact CA-O 2.99Å; Y502-F540 AromaticContact CD1-CD1 3.82Å; Y502-F540 HydrophobicContact CD1-CD1 3.82Å; Y502-F540 HydrophobicContact CD1-CE1 4.21Å; Y502-F540 HydrophobicContact CD2-CD1 4.33Å; Y502-F540 HydrophobicContact CE1-CD1 4.42Å; Y502-F540 AromaticContact CG-CD1 3.8Å; Y502-F540 HydrophobicContact CG-CD1 3.8Å; Y502-F540 PolarHBondContact N-O 3.15Å; N508-F540 HydrophobicContact CB-CD1 4.14Å; N508-F540 HydrophobicContact CB-CD2 4Å; N508-F540 HydrophobicContact CB-CE1 3.79Å; N508-F540 HydrophobicContact CB-CE2 3.66Å; N508-F540 HydrophobicContact CB-CG 4.24Å; N508-F540 HydrophobicContact CB-CZ 3.55Å; P537-F540 WeakPolarHBondContact O-CZ 3.27Å
541	A	90.4	Very high	91.8	Very high	17 Å²	17	58.7 Å²	58.7	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.2	171	0	0	0	0	0	111.7	M500 D501 E506	M500-A541 CarbonylContact O-C 3.54Å; M500-A541 WeakPolarHBondContact O-CA 3.45Å; M500-A541 WeakPolarHBondContact O-CB 3.41Å; D501-A541 HydrophobicContact CB-CB 3.86Å; E506-A541 VanDerWaalsContact OE1-CB 3.32Å; E506-A541 WeakPolarHBondContact OE1-CB 3.48Å
542	E	90.1	Very high	91.7	Very high	53 Å²	53	56.2 Å²	56.2	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.6	177.4	62.8	-176.3	165.8	0	0	110	R365 M500	R365-E542 IonicContact CZ-OE1 2.71Å; R365-E542 IonicContact NE-OE1 3.24Å; R365-E542 PolarHBondContact NE-OE1 3.15Å; R365-E542 IonicContact NH2-OE1 2.74Å; R365-E542 PolarHBondContact NH2-OE1 3.01Å; R365-E542 IonicContact NH2-OE2 3.21Å; M500-E542 HydrophobicContact CB-CG 3.73Å; M500-E542 HydrophobicContact CG-CG 4.37Å; M500-E542 PolarHBondContact N-O 3.29Å; M500-E542 PolarHBondContact O-N 2.91Å
543	Q	92.3	Very high	91.6	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.5	172.8	-70.6	-167.1	-13.9	0	0	110.6	P456 L460 I498 M499	P456-Q543 WeakPolarHBondContact CD-O 3.25Å; P456-Q543 HydrophobicContact CG-CB 3.92Å; L460-Q543 PolarHBondContact O-NE2 3.24Å; L460-Q543 VanDerWaalsContact O-NE2 3.08Å; I498-Q543 WeakPolarHBondContact O-CA 3.44Å; M499-Q543 HydrophobicContact CE-CG 3.67Å; M499-Q543 VanDerWaalsContact SD-CD 3.58Å; M499-Q543 HydrophobicContact SD-CG 3.41Å; M499-Q543 WeakPolarHBondContact SD-CG 3.5Å; M499-Q543 PolarHBondContact SD-NE2 2.82Å
544	L	93.1	Very high	91.5	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	172.3	-50.1	178.4	0	0	0	109	Q453 Q455 V497 I498 M500	Q453-L544 HydrophobicContact CG-CB 4.32Å; Q455-L544 HydrophobicContact CG-CD2 3.72Å; V497-L544 WeakPolarHBondContact CA-O 3.3Å; I498-L544 HydrophobicContact CB-CB 4.3Å; I498-L544 PolarHBondContact N-O 3.29Å; I498-L544 PolarHBondContact O-N 2.94Å; M500-L544 HydrophobicContact CG-CD1 4.25Å; M500-L544 HydrophobicContact SD-CD1 3.56Å; M500-L544 VanDerWaalsContact SD-CD1 3.56Å; M500-L544 HydrophobicContact SD-CG 4.34Å
545	V	94.4	Very high	91.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.5	171.4	-177	0	0	0	0	108.1	Q453 T454 L460 V495 V497 W567	Q453-V545 CarbonylContact C-O 3.46Å; Q453-V545 VanDerWaalsContact CA-O 3.31Å; Q453-V545 WeakPolarHBondContact CA-O 3.42Å; T454-V545 HydrophobicContact CG2-CB 3.86Å; T454-V545 HydrophobicContact CG2-CG1 4.37Å; T454-V545 PolarHBondContact N-O 3.27Å; T454-V545 PolarHBondContact O-N 3.29Å; L460-V545 HydrophobicContact CD1-CG2 3.76Å; V495-V545 HydrophobicContact CG1-CG1 3.97Å; V497-V545 HydrophobicContact CG2-CG2 4.3Å; V545-W567 HydrophobicContact CG1-CH2 4.03Å; V545-W567 HydrophobicContact CG1-CZ3 4.13Å
546	R	95.1	Very high	91.2	Very high	14 Å²	14	55 Å²	55	5%	0.053	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	174.4	-69.2	-177.3	-171.8	148.7	0.7	110	Q369 Q453 T496 I498 Y548	Q369-R546 PolarHBondContact O-NH1 3.34Å; Q369-R546 PolarHBondContact O-NH2 3.15Å; Q453-R546 HydrophobicContact CB-CG 4.07Å; Q453-R546 HydrophobicContact CG-CG 3.88Å; T496-R546 PolarHBondContact N-O 3.05Å; T496-R546 PolarHBondContact O-N 3.45Å; I498-R546 HydrophobicContact CD1-CG 4.32Å; R546-Y548 HydrophobicContact CB-CE2 3.87Å; R546-Y548 WeakPolarHBondContact CD-OH 3.45Å
547	V	95.8	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.8	178	-172.8	0	0	0	0	109	L451 G452 L474 F493 V494 V495 F564 W567	L451-V547 HydrophobicContact CD1-CG1 3.85Å; L451-V547 PolarHBondContact N-O 3.11Å; G452-V547 PolarHBondContact O-N 3.05Å; L474-V547 HydrophobicContact CD1-CG1 3.66Å; L474-V547 HydrophobicContact CD1-CG2 4.04Å; L474-V547 HydrophobicContact CD2-CG1 4.42Å; F493-V547 HydrophobicContact CD1-CG1 4Å; V494-V547 WeakPolarHBondContact O-CA 3.5Å; V495-V547 HydrophobicContact CG2-CG2 4.36Å; V547-F564 HydrophobicContact CB-CD2 3.81Å; V547-F564 HydrophobicContact CB-CE2 4.03Å; V547-F564 HydrophobicContact CG1-CD2 4.44Å; V547-F564 HydrophobicContact CG2-CD2 3.56Å; V547-F564 HydrophobicContact CG2-CE2 3.53Å; V547-W567 HydrophobicContact CG2-CZ3 4.18Å
548	Y	96.2	Very high	91.1	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155	175.3	-50.5	-100.7	0	0	0	110.1	K371 I375 K449 C450 F493 V494 R546	K371-Y548 WeakPolarHBondContact O-CE1 3.27Å; K371-Y548 PolarHBondContact O-OH 3.49Å; I375-Y548 HydrophobicContact CB-CD1 3.92Å; I375-Y548 HydrophobicContact CB-CE1 3.73Å; I375-Y548 HydrophobicContact CD1-CD1 3.7Å; I375-Y548 HydrophobicContact CD1-CD2 3.91Å; I375-Y548 HydrophobicContact CD1-CE1 4.2Å; I375-Y548 HydrophobicContact CD1-CE2 4.38Å; I375-Y548 HydrophobicContact CD1-CG 3.56Å; I375-Y548 HydrophobicContact CG1-CD1 3.7Å; I375-Y548 HydrophobicContact CG1-CE1 4.06Å; I375-Y548 HydrophobicContact CG1-CG 4.1Å; I375-Y548 HydrophobicContact CG2-CE1 4.35Å; K449-Y548 CarbonylContact O-C 3.47Å; K449-Y548 WeakPolarHBondContact O-CA 3.24Å; C450-Y548 HydrophobicContact CB-CD1 3.67Å; C450-Y548 HydrophobicContact CB-CE1 3.66Å; F493-Y548 CarbonylContact C-O 3.56Å; F493-Y548 WeakPolarHBondContact CA-O 3.46Å; V494-Y548 HydrophobicContact CB-CD2 4.45Å; V494-Y548 HydrophobicContact CG1-CD2 4.48Å; V494-Y548 PolarHBondContact N-O 3.23Å; V494-Y548 PolarHBondContact O-N 3.27Å; R546-Y548 HydrophobicContact CB-CE2 3.87Å; R546-Y548 WeakPolarHBondContact CD-OH 3.45Å
549	C	95.4	Very high	91.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.2	172	-174.6	0	0	0	0	110.1	Y448 K449 L451 D492 L557 A560	Y448-C549 WeakPolarHBondContact CA-O 3.39Å; Y448-C549 WeakPolarHBondContact CB-O 3Å; K449-C549 PolarHBondContact N-O 3.3Å; K449-C549 PolarHBondContact O-N 2.92Å; L451-C549 HydrophobicContact CD1-CB 4.19Å; L451-C549 HydrophobicContact CD2-CB 3.81Å; L451-C549 HydrophobicContact CG-CB 4.14Å; D492-C549 CarbonylContact O-C 3.58Å; D492-C549 WeakPolarHBondContact O-CA 3.24Å; C549-L557 HydrophobicContact CB-CD2 4.09Å; C549-A560 HydrophobicContact CB-CB 4.29Å
550	K	94.1	Very high	91.2	Very high	65 Å²	65	44.3 Å²	44.3	28%	0.283	21%	0.21	S	C	.	.	S	Bend	trans	-77.5	-33.6	178.5	-63.7	-174.5	-173.3	155	0	112.4	E382 Y448 E491 D492 V494	E382-K550 WeakPolarHBondContact OE1-CE 3.42Å; E382-K550 IonicContact OE1-NZ 2.7Å; Y448-K550 HydrophobicContact CD1-CB 4.01Å; Y448-K550 HydrophobicContact CD1-CG 4.03Å; Y448-K550 HydrophobicContact CD2-CG 3.95Å; Y448-K550 HydrophobicContact CE1-CB 4.03Å; Y448-K550 HydrophobicContact CE1-CD 4.47Å; Y448-K550 HydrophobicContact CE1-CG 3.97Å; Y448-K550 HydrophobicContact CE2-CD 4.17Å; Y448-K550 HydrophobicContact CE2-CG 3.87Å; Y448-K550 HydrophobicContact CG-CB 4.41Å; Y448-K550 HydrophobicContact CG-CG 4.04Å; E491-K550 WeakPolarHBondContact O-CD 3.3Å; E491-K550 WeakPolarHBondContact O-CE 3.46Å; E491-K550 PolarHBondContact O-NZ 3.49Å; D492-K550 PolarHBondContact O-N 2.99Å; V494-K550 HydrophobicContact CG2-CG 4.26Å
551	K	90.8	Very high	91.3	Very high	68 Å²	68	46.9 Å²	46.9	30%	0.296	22%	0.221	S	C	.	.			trans	-69.9	139.3	171.8	-70.8	176.8	176.5	158.5	0	109.1	D487 D492 T556 L557	D487-K551 PolarHBondContact O-NZ 2.83Å; D492-K551 VanDerWaalsContact CG-CE 3.49Å; D492-K551 WeakPolarHBondContact OD1-CE 3.41Å; D492-K551 IonicContact OD1-NZ 3.09Å; D492-K551 VanDerWaalsContact OD2-CE 3.25Å; D492-K551 WeakPolarHBondContact OD2-CE 3.33Å; D492-K551 IonicContact OD2-NZ 3.49Å; D492-K551 PolarHBondContact OD2-NZ 2.7Å; K551-T556 HydrophobicContact CB-CG2 3.73Å; K551-T556 HydrophobicContact CD-CG2 3.73Å; K551-T556 HydrophobicContact CG-CG2 4.37Å; K551-L557 WeakPolarHBondContact O-CD2 3.33Å
552	T	88.3	Confident	91.2	Very high	77 Å²	77	48.6 Å²	48.6	47%	0.472	23%	0.226	S	C	.	.			trans	-123.5	0	-170.4	57.5	0	0	0	0	113.5	K449 L557	K449-T552 HydrophobicContact CG-CG2 4.2Å; T552-L557 WeakPolarHBondContact O-CD1 3.3Å
553	D	90.6	Very high	91.3	Very high	74 Å²	74	46.7 Å²	46.7	40%	0.396	22%	0.217	S	C	.	.			trans	-69.7	143.1	172.8	63	-74.9	0	0	0	110.4	R555 T556 L557	D553-R555 PolarHBondContact O-N 3.43Å; D553-T556 VanDerWaalsContact CG-CB 3.44Å; D553-T556 PolarHBondContact O-N 3.27Å; D553-T556 VanDerWaalsContact OD1-CB 3.3Å; D553-T556 WeakPolarHBondContact OD1-CB 3.35Å; D553-T556 PolarHBondContact OD1-OG1 3.24Å; D553-T556 WeakPolarHBondContact OD2-CB 3.25Å; D553-T556 PolarHBondContact OD2-N 2.83Å; D553-T556 PolarHBondContact OD2-OG1 2.9Å; D553-L557 VanDerWaalsContact O-CG 3.32Å; D553-L557 WeakPolarHBondContact O-CG 3.32Å; D553-L557 PolarHBondContact O-N 3.11Å
554	E	87.1	Confident	91.2	Very high	148 Å²	148	45.7 Å²	45.7	69%	0.692	21%	0.212	S	C	*	.	H	α-helix	trans	-61.3	-43.2	-169.2	-170.3	167.8	-154	0	0	112.4	L557 E558	E554-L557 PolarHBondContact O-N 3.41Å; E554-E558 WeakPolarHBondContact O-CG 3.42Å; E554-E558 PolarHBondContact O-N 2.97Å
555	R	87.1	Confident	91.1	Very high	202 Å²	202	45.3 Å²	45.3	76%	0.762	21%	0.21	S	C	*	.	H	α-helix	trans	-62.2	-46.2	178.8	-65.9	-176.4	-178.1	-177.9	-0.3	112	D553 L557 E558 A559	D553-R555 PolarHBondContact O-N 3.43Å; R555-L557 VanDerWaalsContact C-N 3.34Å; R555-E558 PolarHBondContact O-N 3.04Å; R555-A559 PolarHBondContact O-N 2.85Å; R555-A559 VanDerWaalsContact O-N 3.11Å
556	T	89.1	Confident	90.9	Very high	12 Å²	12	46.5 Å²	46.5	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-67	-37.1	177.4	-59.7	0	0	0	0	111.9	V486 L488 K551 D553 A559 A560	V486-T556 HydrophobicContact CG1-CG2 3.97Å; V486-T556 WeakPolarHBondContact CG1-OG1 3.49Å; L488-T556 HydrophobicContact CD2-CG2 3.39Å; L488-T556 HydrophobicContact CG-CG2 4.17Å; K551-T556 HydrophobicContact CB-CG2 3.73Å; K551-T556 HydrophobicContact CD-CG2 3.73Å; K551-T556 HydrophobicContact CG-CG2 4.37Å; D553-T556 VanDerWaalsContact CG-CB 3.44Å; D553-T556 PolarHBondContact O-N 3.27Å; D553-T556 VanDerWaalsContact OD1-CB 3.3Å; D553-T556 WeakPolarHBondContact OD1-CB 3.35Å; D553-T556 PolarHBondContact OD1-OG1 3.24Å; D553-T556 WeakPolarHBondContact OD2-CB 3.25Å; D553-T556 PolarHBondContact OD2-N 2.83Å; D553-T556 PolarHBondContact OD2-OG1 2.9Å; T556-A559 PolarHBondContact O-N 3.49Å; T556-A560 VanDerWaalsContact O-CB 3.24Å; T556-A560 WeakPolarHBondContact O-CB 3.13Å; T556-A560 PolarHBondContact O-N 3.35Å
557	L	89.1	Confident	90.7	Very high	26 Å²	26	46 Å²	46	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-39.5	177	-74	173	0	0	0	112.5	K449 L451 C549 K551 T552 D553 E554 R555 K561	K449-L557 HydrophobicContact CB-CD1 4.44Å; K449-L557 HydrophobicContact CB-CD2 3.59Å; K449-L557 HydrophobicContact CG-CD1 3.92Å; K449-L557 HydrophobicContact CG-CD2 3.87Å; L451-L557 HydrophobicContact CD2-CD2 4.37Å; C549-L557 HydrophobicContact CB-CD2 4.09Å; K551-L557 WeakPolarHBondContact O-CD2 3.33Å; T552-L557 WeakPolarHBondContact O-CD1 3.3Å; D553-L557 VanDerWaalsContact O-CG 3.32Å; D553-L557 WeakPolarHBondContact O-CG 3.32Å; D553-L557 PolarHBondContact O-N 3.11Å; E554-L557 PolarHBondContact O-N 3.41Å; R555-L557 VanDerWaalsContact C-N 3.34Å; L557-K561 VanDerWaalsContact O-CB 3.3Å; L557-K561 WeakPolarHBondContact O-CB 3.32Å; L557-K561 VanDerWaalsContact O-CG 3.25Å; L557-K561 WeakPolarHBondContact O-CG 3.39Å; L557-K561 PolarHBondContact O-N 3.39Å
558	E	87.9	Confident	90.5	Very high	109 Å²	109	46 Å²	46	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-46.3	173.7	-74.2	178.9	179	0	0	111.4	E554 R555 K561 K562	E554-E558 WeakPolarHBondContact O-CG 3.42Å; E554-E558 PolarHBondContact O-N 2.97Å; R555-E558 PolarHBondContact O-N 3.04Å; E558-K561 WeakPolarHBondContact O-CB 3.1Å; E558-K561 PolarHBondContact O-N 2.95Å; E558-K562 WeakPolarHBondContact O-CG 3.46Å; E558-K562 PolarHBondContact O-N 3.45Å
559	A	88.6	Confident	90.1	Very high	14 Å²	14	47.3 Å²	47.3	12%	0.116	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-50	175	0	0	0	0	0	111.7	V486 L488 R555 T556 K561 K562 H563	V486-A559 HydrophobicContact CB-CB 4.21Å; V486-A559 HydrophobicContact CG1-CB 4.41Å; V486-A559 HydrophobicContact CG2-CB 4.36Å; L488-A559 HydrophobicContact CD1-CB 4.08Å; R555-A559 PolarHBondContact O-N 2.85Å; R555-A559 VanDerWaalsContact O-N 3.11Å; T556-A559 PolarHBondContact O-N 3.49Å; A559-K561 VanDerWaalsContact C-N 3.29Å; A559-K561 PolarHBondContact O-N 3.49Å; A559-K562 PolarHBondContact O-N 3.02Å; A559-H563 PolarHBondContact O-CD2 3.49Å; A559-H563 PolarHBondContact O-N 2.96Å
560	A	90.9	Very high	89.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-37.6	-179.2	0	0	0	0	0	112.5	L451 L488 F493 C549 T556 H563 F564	L451-A560 HydrophobicContact CD1-CB 3.92Å; L451-A560 HydrophobicContact CD2-CB 3.91Å; L488-A560 HydrophobicContact CD1-CB 3.95Å; L488-A560 HydrophobicContact CD2-CB 4.37Å; F493-A560 HydrophobicContact CE1-CB 3.97Å; F493-A560 HydrophobicContact CZ-CB 4.29Å; C549-A560 HydrophobicContact CB-CB 4.29Å; T556-A560 VanDerWaalsContact O-CB 3.24Å; T556-A560 WeakPolarHBondContact O-CB 3.13Å; T556-A560 PolarHBondContact O-N 3.35Å; A560-H563 WeakPolarHBondContact O-CB 3.31Å; A560-H563 PolarHBondContact O-N 3.07Å; A560-F564 WeakPolarHBondContact O-CB 3.5Å; A560-F564 PolarHBondContact O-N 2.92Å
561	K	90.8	Very high	89.4	Confident	73 Å²	73	52 Å²	52	32%	0.317	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-42.6	173.6	-86.4	177.1	-175.6	179.8	0	112.4	L451 L557 E558 A559 F564 V565 I582	L451-K561 HydrophobicContact CD2-CG 4.04Å; L557-K561 VanDerWaalsContact O-CB 3.3Å; L557-K561 WeakPolarHBondContact O-CB 3.32Å; L557-K561 VanDerWaalsContact O-CG 3.25Å; L557-K561 WeakPolarHBondContact O-CG 3.39Å; L557-K561 PolarHBondContact O-N 3.39Å; E558-K561 WeakPolarHBondContact O-CB 3.1Å; E558-K561 PolarHBondContact O-N 2.95Å; A559-K561 VanDerWaalsContact C-N 3.29Å; A559-K561 PolarHBondContact O-N 3.49Å; K561-F564 PolarHBondContact O-N 3.23Å; K561-V565 PolarHBondContact O-N 3.15Å; K561-V565 VanDerWaalsContact O-N 3.11Å; K561-I582 HydrophobicContact CB-CG2 3.5Å; K561-I582 VanDerWaalsContact CB-CG2 3.5Å; K561-I582 HydrophobicContact CD-CD1 4.43Å; K561-I582 HydrophobicContact CD-CG1 4.38Å; K561-I582 HydrophobicContact CD-CG2 3.8Å; K561-I582 HydrophobicContact CG-CG2 3.9Å
562	K	88.6	Confident	89.3	Confident	53 Å²	53	52.6 Å²	52.6	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-40.9	177	-62.9	-176.4	-174	-157.1	0	111.7	P479 E558 A559 F564 V565 Q566 E585 L586	P479-K562 HydrophobicContact CG-CB 3.59Å; E558-K562 WeakPolarHBondContact O-CG 3.46Å; E558-K562 PolarHBondContact O-N 3.45Å; A559-K562 PolarHBondContact O-N 3.02Å; K562-F564 VanDerWaalsContact C-N 3.28Å; K562-F564 PolarHBondContact O-N 3.23Å; K562-V565 PolarHBondContact O-N 3.17Å; K562-Q566 WeakPolarHBondContact O-CB 3.48Å; K562-Q566 PolarHBondContact O-N 3Å; K562-E585 WeakPolarHBondContact CD-OE1 3.3Å; K562-E585 WeakPolarHBondContact CE-OE1 3.16Å; K562-E585 IonicContact NZ-OE1 2.93Å; K562-E585 PolarHBondContact NZ-OE1 3.39Å; K562-L586 HydrophobicContact CB-CD1 4.45Å
563	H	91.1	Very high	89.4	Confident	13 Å²	13	49.4 Å²	49.4	6%	0.06	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-45	172.1	-79.6	-130.7	0	0	0	111.6	L474 A475 S477 A559 A560 V565 Q566 W567	L474-H563 PolarHBondContact O-ND1 2.84Å; A475-H563 PolarHBondContact O-CE1 3.46Å; A475-H563 PolarHBondContact O-ND1 2.94Å; S477-H563 WeakPolarHBondContact O-CA 3.46Å; A559-H563 PolarHBondContact O-CD2 3.49Å; A559-H563 PolarHBondContact O-N 2.96Å; A560-H563 WeakPolarHBondContact O-CB 3.31Å; A560-H563 PolarHBondContact O-N 3.07Å; H563-V565 PolarHBondContact O-N 3.42Å; H563-Q566 PolarHBondContact O-N 3.21Å; H563-W567 VanDerWaalsContact O-CB 3.25Å; H563-W567 WeakPolarHBondContact O-CB 3.25Å; H563-W567 PolarHBondContact O-N 3.17Å
564	F	92.2	Very high	89.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-43.8	177.8	170.5	-113	0	0	0	112.9	L451 T454 L474 V547 A560 K561 K562 W567 C568 P576	L451-F564 HydrophobicContact CB-CB 4.27Å; L451-F564 HydrophobicContact CB-CD1 4.32Å; L451-F564 HydrophobicContact CB-CG 4.28Å; L451-F564 HydrophobicContact CD1-CB 4.22Å; T454-F564 HydrophobicContact CG2-CE2 4.21Å; T454-F564 HydrophobicContact CG2-CZ 4.19Å; L474-F564 HydrophobicContact CD2-CB 4.43Å; L474-F564 HydrophobicContact CD2-CD2 4.34Å; V547-F564 HydrophobicContact CB-CD2 3.81Å; V547-F564 HydrophobicContact CB-CE2 4.03Å; V547-F564 HydrophobicContact CG1-CD2 4.44Å; V547-F564 HydrophobicContact CG2-CD2 3.56Å; V547-F564 HydrophobicContact CG2-CE2 3.53Å; A560-F564 WeakPolarHBondContact O-CB 3.5Å; A560-F564 PolarHBondContact O-N 2.92Å; K561-F564 PolarHBondContact O-N 3.23Å; K562-F564 VanDerWaalsContact C-N 3.28Å; K562-F564 PolarHBondContact O-N 3.23Å; F564-W567 HydrophobicContact CD2-CE3 4.21Å; F564-W567 HydrophobicContact CE2-CE3 4.31Å; F564-W567 HydrophobicContact CE2-CZ3 4.37Å; F564-W567 PolarHBondContact O-N 3.5Å; F564-C568 WeakPolarHBondContact CE2-SG 3.44Å; F564-C568 VanDerWaalsContact CZ-SG 3.59Å; F564-C568 PolarHBondContact O-N 3.29Å; F564-C568 PolarHBondContact O-SG 3.37Å; F564-P576 HydrophobicContact CD1-CG 4.35Å; F564-P576 HydrophobicContact CE1-CB 3.87Å; F564-P576 HydrophobicContact CE1-CG 3.6Å; F564-P576 HydrophobicContact CZ-CG 4.08Å
565	V	90.4	Very high	89.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-44.2	177.7	175.7	0	0	0	0	110.9	K561 K562 H563 W567 C568 M569 P576 I582 A583 L586 T587 W593	K561-V565 PolarHBondContact O-N 3.15Å; K561-V565 VanDerWaalsContact O-N 3.11Å; K562-V565 PolarHBondContact O-N 3.17Å; H563-V565 PolarHBondContact O-N 3.42Å; V565-W567 PolarHBondContact O-N 3.44Å; V565-C568 WeakPolarHBondContact O-CB 3.48Å; V565-C568 PolarHBondContact O-N 3.5Å; V565-M569 WeakPolarHBondContact O-CG 3.33Å; V565-M569 PolarHBondContact O-N 2.91Å; V565-M569 VanDerWaalsContact O-N 3.07Å; V565-P576 HydrophobicContact CG2-CG 4.43Å; V565-I582 HydrophobicContact CG2-CG2 4.35Å; V565-A583 HydrophobicContact CB-CB 3.99Å; V565-A583 HydrophobicContact CG1-CB 3.98Å; V565-A583 HydrophobicContact CG2-CB 3.91Å; V565-L586 HydrophobicContact CB-CD1 4.2Å; V565-L586 HydrophobicContact CG1-CB 4.01Å; V565-L586 HydrophobicContact CG1-CD1 4.15Å; V565-T587 HydrophobicContact CG1-CG2 4.41Å; V565-W593 HydrophobicContact CG1-CZ3 4.2Å
566	Q	89.9	Confident	89.5	Confident	24 Å²	24	34 Å²	34	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-46.7	175.8	-173.9	60.5	58	0	0	111.3	K562 H563 C568 M569 D570 L586	K562-Q566 WeakPolarHBondContact O-CB 3.48Å; K562-Q566 PolarHBondContact O-N 3Å; H563-Q566 PolarHBondContact O-N 3.21Å; Q566-C568 VanDerWaalsContact C-N 3.29Å; Q566-C568 PolarHBondContact O-N 2.97Å; Q566-M569 WeakPolarHBondContact O-CA 3.5Å; Q566-M569 VanDerWaalsContact O-CB 3.28Å; Q566-M569 WeakPolarHBondContact O-CB 3.37Å; Q566-M569 PolarHBondContact O-N 3.35Å; Q566-D570 PolarHBondContact NE2-OD1 3.02Å; Q566-D570 PolarHBondContact O-N 3.15Å; Q566-L586 HydrophobicContact CB-CD1 4.27Å
567	W	91.6	Very high	89.3	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-38	176.7	-178.8	79.2	0	0	0	113	W470 L474 V545 V547 H563 F564 V565 M569 D570 R571 F573	W470-W567 HydrophobicContact CB-CZ2 3.86Å; W470-W567 HydrophobicContact CG-CZ2 4.1Å; L474-W567 HydrophobicContact CD1-CD2 4.48Å; L474-W567 HydrophobicContact CD2-CB 3.6Å; L474-W567 HydrophobicContact CD2-CD2 3.57Å; L474-W567 HydrophobicContact CD2-CE3 3.82Å; L474-W567 HydrophobicContact CD2-CG 3.5Å; L474-W567 HydrophobicContact CG-CB 4.37Å; L474-W567 HydrophobicContact CG-CD2 3.77Å; L474-W567 HydrophobicContact CG-CE3 4.29Å; L474-W567 HydrophobicContact CG-CG 3.81Å; V545-W567 HydrophobicContact CG1-CH2 4.03Å; V545-W567 HydrophobicContact CG1-CZ3 4.13Å; V547-W567 HydrophobicContact CG2-CZ3 4.18Å; H563-W567 VanDerWaalsContact O-CB 3.25Å; H563-W567 WeakPolarHBondContact O-CB 3.25Å; H563-W567 PolarHBondContact O-N 3.17Å; F564-W567 HydrophobicContact CD2-CE3 4.21Å; F564-W567 HydrophobicContact CE2-CE3 4.31Å; F564-W567 HydrophobicContact CE2-CZ3 4.37Å; F564-W567 PolarHBondContact O-N 3.5Å; V565-W567 PolarHBondContact O-N 3.44Å; W567-M569 VanDerWaalsContact C-N 3.32Å; W567-M569 PolarHBondContact O-N 2.82Å; W567-D570 PolarHBondContact O-N 3.09Å; W567-R571 WeakPolarHBondContact O-CB 3.45Å; W567-R571 PolarHBondContact O-N 2.92Å; W567-R571 VanDerWaalsContact O-N 3.11Å; W567-F573 HydrophobicContact CE3-CD2 4.47Å; W567-F573 HydrophobicContact CE3-CE2 4.47Å; W567-F573 HydrophobicContact CH2-CD2 4.34Å; W567-F573 AromaticContact CH2-CE2 3.63Å; W567-F573 HydrophobicContact CH2-CE2 3.63Å; W567-F573 HydrophobicContact CZ2-CE2 4.19Å; W567-F573 HydrophobicContact CZ3-CD2 4.01Å; W567-F573 AromaticContact CZ3-CE2 3.77Å; W567-F573 HydrophobicContact CZ3-CE2 3.77Å
568	C	90.9	Very high	89	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-34.4	173.1	-66.8	0	0	0	0	112.4	F564 V565 Q566 N572 F573 P576 W593	F564-C568 WeakPolarHBondContact CE2-SG 3.44Å; F564-C568 VanDerWaalsContact CZ-SG 3.59Å; F564-C568 PolarHBondContact O-N 3.29Å; F564-C568 PolarHBondContact O-SG 3.37Å; V565-C568 WeakPolarHBondContact O-CB 3.48Å; V565-C568 PolarHBondContact O-N 3.5Å; Q566-C568 VanDerWaalsContact C-N 3.29Å; Q566-C568 PolarHBondContact O-N 2.97Å; C568-N572 PolarHBondContact O-N 3.47Å; C568-F573 HydrophobicContact CB-CB 4.4Å; C568-F573 PolarHBondContact O-N 3.06Å; C568-P576 HydrophobicContact CB-CG 4.39Å; C568-W593 HydrophobicContact CB-CH2 3.87Å; C568-W593 HydrophobicContact CB-CZ2 4.17Å
569	M	86.9	Confident	88.4	Confident	29 Å²	29	39.9 Å²	39.9	14%	0.143	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-51.9	174	-66.3	170.7	64.8	0	0	110.4	V565 Q566 W567 R571 N572 L586 L589 K590 W593	V565-M569 WeakPolarHBondContact O-CG 3.33Å; V565-M569 PolarHBondContact O-N 2.91Å; V565-M569 VanDerWaalsContact O-N 3.07Å; Q566-M569 WeakPolarHBondContact O-CA 3.5Å; Q566-M569 VanDerWaalsContact O-CB 3.28Å; Q566-M569 WeakPolarHBondContact O-CB 3.37Å; Q566-M569 PolarHBondContact O-N 3.35Å; W567-M569 VanDerWaalsContact C-N 3.32Å; W567-M569 PolarHBondContact O-N 2.82Å; M569-R571 VanDerWaalsContact C-N 3.26Å; M569-R571 PolarHBondContact O-N 2.7Å; M569-N572 PolarHBondContact O-N 2.94Å; M569-N572 VanDerWaalsContact O-N 3.08Å; M569-L586 HydrophobicContact SD-CB 3.95Å; M569-L589 HydrophobicContact CE-CB 3.76Å; M569-K590 HydrophobicContact CB-CD 4.33Å; M569-K590 HydrophobicContact CE-CB 4.12Å; M569-K590 HydrophobicContact CG-CD 4.19Å; M569-W593 HydrophobicContact CB-CH2 4.16Å; M569-W593 HydrophobicContact CB-CZ3 4.47Å; M569-W593 HydrophobicContact CG-CE3 4.13Å; M569-W593 HydrophobicContact CG-CH2 3.26Å; M569-W593 HydrophobicContact CG-CZ2 4.22Å; M569-W593 HydrophobicContact CG-CZ3 3.2Å; M569-W593 HydrophobicContact SD-CZ3 4.06Å
570	D	88.7	Confident	88	Confident	94 Å²	94	43 Å²	43	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-58.4	-38.5	-175.3	-58.7	-21	0	0	0	111.8	S477 Q566 W567 N572	S477-D570 PolarHBondContact OG-OD2 3.38Å; Q566-D570 PolarHBondContact NE2-OD1 3.02Å; Q566-D570 PolarHBondContact O-N 3.15Å; W567-D570 PolarHBondContact O-N 3.09Å; D570-N572 VanDerWaalsContact C-N 3.34Å
571	R	87.7	Confident	87.4	Confident	71 Å²	71	48.9 Å²	48.9	27%	0.268	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.9	-178.7	-70.9	-174.7	159.4	-125.8	-10.1	115.4	D473 W567 M569 F573	D473-R571 IonicContact OD2-CZ 2.71Å; D473-R571 IonicContact OD2-NE 3.87Å; D473-R571 IonicContact OD2-NH2 2.65Å; D473-R571 PolarHBondContact OD2-NH2 3.41Å; W567-R571 WeakPolarHBondContact O-CB 3.45Å; W567-R571 PolarHBondContact O-N 2.92Å; W567-R571 VanDerWaalsContact O-N 3.11Å; M569-R571 VanDerWaalsContact C-N 3.26Å; M569-R571 PolarHBondContact O-N 2.7Å; R571-F573 VanDerWaalsContact C-N 3.28Å; R571-F573 HydrophobicContact CB-CD1 4.02Å; R571-F573 HydrophobicContact CB-CD2 4.12Å; R571-F573 HydrophobicContact CB-CE1 3.94Å; R571-F573 HydrophobicContact CB-CE2 4.03Å; R571-F573 HydrophobicContact CB-CG 4.13Å; R571-F573 HydrophobicContact CB-CZ 3.95Å; R571-F573 WeakPolarHBondContact O-CD1 3.36Å; R571-F573 PolarHBondContact O-N 3.03Å
572	N	87.9	Confident	86.8	Confident	79 Å²	79	47.2 Å²	47.2	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.7	-172.3	-159.2	49.4	0	0	0	114.4	D457 C568 M569 D570 K590	D457-N572 PolarHBondContact OD2-ND2 3.47Å; C568-N572 PolarHBondContact O-N 3.47Å; M569-N572 PolarHBondContact O-N 2.94Å; M569-N572 VanDerWaalsContact O-N 3.08Å; D570-N572 VanDerWaalsContact C-N 3.34Å; N572-K590 VanDerWaalsContact OD1-CE 3.29Å; N572-K590 WeakPolarHBondContact OD1-CE 3.49Å; N572-K590 PolarHBondContact OD1-NZ 2.78Å
573	F	91.1	Very high	86.3	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-83.2	170.8	173.2	-64.9	-17.2	0	0	0	111.9	T454 P456 L460 W567 C568 R571 K590 W593	T454-F573 HydrophobicContact CG2-CB 4.22Å; T454-F573 HydrophobicContact CG2-CD2 3.79Å; T454-F573 HydrophobicContact CG2-CG 4.41Å; T454-F573 VanDerWaalsContact OG1-CB 3.27Å; T454-F573 WeakPolarHBondContact OG1-CB 3.48Å; P456-F573 HydrophobicContact CB-CD1 3.89Å; P456-F573 HydrophobicContact CB-CE1 3.6Å; P456-F573 HydrophobicContact CB-CZ 4.19Å; L460-F573 HydrophobicContact CD1-CZ 3.91Å; L460-F573 HydrophobicContact CD2-CE1 4.33Å; L460-F573 HydrophobicContact CD2-CZ 4.2Å; W567-F573 HydrophobicContact CE3-CD2 4.47Å; W567-F573 HydrophobicContact CE3-CE2 4.47Å; W567-F573 HydrophobicContact CH2-CD2 4.34Å; W567-F573 AromaticContact CH2-CE2 3.63Å; W567-F573 HydrophobicContact CH2-CE2 3.63Å; W567-F573 HydrophobicContact CZ2-CE2 4.19Å; W567-F573 HydrophobicContact CZ3-CD2 4.01Å; W567-F573 AromaticContact CZ3-CE2 3.77Å; W567-F573 HydrophobicContact CZ3-CE2 3.77Å; C568-F573 HydrophobicContact CB-CB 4.4Å; C568-F573 PolarHBondContact O-N 3.06Å; R571-F573 VanDerWaalsContact C-N 3.28Å; R571-F573 HydrophobicContact CB-CD1 4.02Å; R571-F573 HydrophobicContact CB-CD2 4.12Å; R571-F573 HydrophobicContact CB-CE1 3.94Å; R571-F573 HydrophobicContact CB-CE2 4.03Å; R571-F573 HydrophobicContact CB-CG 4.13Å; R571-F573 HydrophobicContact CB-CZ 3.95Å; R571-F573 WeakPolarHBondContact O-CD1 3.36Å; R571-F573 PolarHBondContact O-N 3.03Å; F573-K590 PolarHBondContact O-NZ 3.44Å; F573-W593 VanDerWaalsContact O-CZ2 3.31Å; F573-W593 WeakPolarHBondContact O-CZ2 3.49Å; F573-W593 PolarHBondContact O-NE1 3.09Å
574	S	89.4	Confident	85.7	Confident	38 Å²	38	47.7 Å²	47.7	27%	0.266	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.1	174.7	74.5	0	0	0	0	111.4	T454 Q455 P576	T454-S574 PolarHBondContact OG1-N 2.96Å; T454-S574 PolarHBondContact OG1-O 3.31Å; T454-S574 PolarHBondContact OG1-OG 3.14Å; Q455-S574 WeakPolarHBondContact CB-OG 3.38Å; Q455-S574 PolarHBondContact N-OG 3.06Å; Q455-S574 PolarHBondContact O-N 3.36Å; S574-P576 WeakPolarHBondContact O-CD 3.45Å
575	K	88.8	Confident	85	Confident	58 Å²	58	50.6 Å²	50.6	25%	0.252	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.7	127.4	177.8	-169.1	-171.6	-169.6	170.5	0	109.7	Q577 D580 W593	K575-Q577 PolarHBondContact O-N 3.37Å; K575-D580 VanDerWaalsContact CE-CG 3.41Å; K575-D580 WeakPolarHBondContact CE-OD1 3.43Å; K575-D580 VanDerWaalsContact CE-OD2 3.27Å; K575-D580 WeakPolarHBondContact CE-OD2 3.32Å; K575-D580 IonicContact NZ-OD1 3.92Å; K575-D580 PolarHBondContact NZ-OD1 3.16Å; K575-D580 IonicContact NZ-OD2 2.7Å; K575-D580 PolarHBondContact NZ-OD2 2.98Å; K575-W593 HydrophobicContact CB-CB 4.35Å; K575-W593 HydrophobicContact CB-CD2 3.81Å; K575-W593 HydrophobicContact CB-CE3 4.43Å; K575-W593 HydrophobicContact CB-CG 3.79Å; K575-W593 HydrophobicContact CD-CB 4.04Å; K575-W593 HydrophobicContact CD-CG 4.34Å; K575-W593 HydrophobicContact CG-CB 4.28Å; K575-W593 HydrophobicContact CG-CD2 3.92Å; K575-W593 HydrophobicContact CG-CE3 4.07Å; K575-W593 HydrophobicContact CG-CG 4.06Å; K575-W593 PolarHBondContact NZ-O 3.34Å
576	P	88.8	Confident	84.4	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.026	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-56.3	140.1	169.6	-25.5	35.9	0	0	0	111	F564 V565 C568 S574 D578 G579	F564-P576 HydrophobicContact CD1-CG 4.35Å; F564-P576 HydrophobicContact CE1-CB 3.87Å; F564-P576 HydrophobicContact CE1-CG 3.6Å; F564-P576 HydrophobicContact CZ-CG 4.08Å; V565-P576 HydrophobicContact CG2-CG 4.43Å; C568-P576 HydrophobicContact CB-CG 4.39Å; S574-P576 WeakPolarHBondContact O-CD 3.45Å; P576-D578 VanDerWaalsContact C-N 3.27Å; P576-D578 PolarHBondContact O-N 3.1Å; P576-G579 PolarHBondContact O-N 3.37Å
577	Q	83.4	Confident	83.7	Confident	167 Å²	167	49.8 Å²	49.8	78%	0.78	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-42.3	-173.9	-72.1	-178.8	-18	0	0	113.3	K575	K575-Q577 PolarHBondContact O-N 3.37Å
578	D	82.9	Confident	83.1	Confident	103 Å²	103	53.4 Å²	53.4	55%	0.551	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	16.4	179.9	-55.4	-39.4	0	0	0	112.3	P576 D580 V581 I582	P576-D578 VanDerWaalsContact C-N 3.27Å; P576-D578 PolarHBondContact O-N 3.1Å; D578-D580 VanDerWaalsContact C-N 3.29Å; D578-D580 PolarHBondContact O-N 3.07Å; D578-V581 PolarHBondContact O-N 3.37Å; D578-I582 HydrophobicContact CB-CD1 3.69Å; D578-I582 HydrophobicContact CB-CG1 4.13Å; D578-I582 WeakPolarHBondContact O-CB 3.48Å; D578-I582 WeakPolarHBondContact O-CG1 3.47Å; D578-I582 PolarHBondContact O-N 3.11Å
579	G	75.8	Confident	82.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-37.6	-172.5	0	0	0	0	0	113.7	P576 V581 I582 A583 T587	P576-G579 PolarHBondContact O-N 3.37Å; G579-V581 VanDerWaalsContact C-N 3.25Å; G579-V581 PolarHBondContact O-N 3Å; G579-I582 PolarHBondContact O-N 2.82Å; G579-A583 CarbonylContact O-C 3.44Å; G579-A583 PolarHBondContact O-N 2.96Å; G579-T587 VanDerWaalsContact C-CG2 3.45Å; G579-T587 WeakPolarHBondContact O-CG2 3.47Å
580	D	80.4	Confident	82	Confident	80 Å²	80	58.5 Å²	58.5	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-67.4	-26.4	178.5	-65.2	-41	0	0	0	113	K575 D578 P584 T587	K575-D580 VanDerWaalsContact CE-CG 3.41Å; K575-D580 WeakPolarHBondContact CE-OD1 3.43Å; K575-D580 VanDerWaalsContact CE-OD2 3.27Å; K575-D580 WeakPolarHBondContact CE-OD2 3.32Å; K575-D580 IonicContact NZ-OD1 3.92Å; K575-D580 PolarHBondContact NZ-OD1 3.16Å; K575-D580 IonicContact NZ-OD2 2.7Å; K575-D580 PolarHBondContact NZ-OD2 2.98Å; D578-D580 VanDerWaalsContact C-N 3.29Å; D578-D580 PolarHBondContact O-N 3.07Å; D580-P584 WeakPolarHBondContact O-CA 3.26Å; D580-P584 WeakPolarHBondContact O-CB 3.41Å; D580-T587 WeakPolarHBondContact OD1-CB 3.33Å; D580-T587 PolarHBondContact OD1-OG1 3.05Å
581	V	78.8	Confident	81.4	Confident	123 Å²	123	58.9 Å²	58.9	75%	0.745	32%	0.318	S	S	*	.	H	α-helix	trans	-89.1	-38	179	-178.6	0	0	0	0	110.4	D578 G579	D578-V581 PolarHBondContact O-N 3.37Å; G579-V581 VanDerWaalsContact C-N 3.25Å; G579-V581 PolarHBondContact O-N 3Å
582	I	78.3	Confident	81	Confident	39 Å²	39	58.8 Å²	58.8	20%	0.2	33%	0.329	C	S	.	.	H	α-helix	trans	-80.3	-37.4	-173.5	-71.6	175.1	0	0	0	112.4	K561 V565 D578 G579	K561-I582 HydrophobicContact CB-CG2 3.5Å; K561-I582 VanDerWaalsContact CB-CG2 3.5Å; K561-I582 HydrophobicContact CD-CD1 4.43Å; K561-I582 HydrophobicContact CD-CG1 4.38Å; K561-I582 HydrophobicContact CD-CG2 3.8Å; K561-I582 HydrophobicContact CG-CG2 3.9Å; V565-I582 HydrophobicContact CG2-CG2 4.35Å; D578-I582 HydrophobicContact CB-CD1 3.69Å; D578-I582 HydrophobicContact CB-CG1 4.13Å; D578-I582 WeakPolarHBondContact O-CB 3.48Å; D578-I582 WeakPolarHBondContact O-CG1 3.47Å; D578-I582 PolarHBondContact O-N 3.11Å; G579-I582 PolarHBondContact O-N 2.82Å
583	A	77.1	Confident	80.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.			trans	-142.3	67.3	178.7	0	0	0	0	0	109.9	V565 G579 E585 L586 T587	V565-A583 HydrophobicContact CB-CB 3.99Å; V565-A583 HydrophobicContact CG1-CB 3.98Å; V565-A583 HydrophobicContact CG2-CB 3.91Å; G579-A583 CarbonylContact O-C 3.44Å; G579-A583 PolarHBondContact O-N 2.96Å; A583-E585 PolarHBondContact O-N 3.08Å; A583-E585 VanDerWaalsContact O-N 3.11Å; A583-L586 HydrophobicContact CB-CB 4.05Å; A583-L586 HydrophobicContact CB-CD1 3.92Å; A583-L586 HydrophobicContact CB-CG 4.06Å; A583-L586 PolarHBondContact O-N 3.28Å; A583-T587 PolarHBondContact O-N 3.44Å; A583-T587 PolarHBondContact O-OG1 2.93Å
584	P	79.3	Confident	79.6	Confident	75 Å²	75	59 Å²	59	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.2	178.6	23.7	-34.4	0	0	0	113.1	D580 P588	D580-P584 WeakPolarHBondContact O-CA 3.26Å; D580-P584 WeakPolarHBondContact O-CB 3.41Å; P584-P588 WeakPolarHBondContact O-CD 3.48Å; P584-P588 VanDerWaalsContact O-CG 3.32Å; P584-P588 WeakPolarHBondContact O-CG 3.28Å
585	E	77.8	Confident	78	Confident	64 Å²	64	61.5 Å²	61.5	30%	0.299	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.9	178.5	69	-85.1	-153.7	0	0	114.1	K562 A583	K562-E585 WeakPolarHBondContact CD-OE1 3.3Å; K562-E585 WeakPolarHBondContact CE-OE1 3.16Å; K562-E585 IonicContact NZ-OE1 2.93Å; K562-E585 PolarHBondContact NZ-OE1 3.39Å; A583-E585 PolarHBondContact O-N 3.08Å; A583-E585 VanDerWaalsContact O-N 3.11Å
586	L	76.6	Confident	75.9	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.016	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-39.7	-176.3	-61.8	-178.6	0	0	0	112.5	P479 K562 V565 Q566 M569 A583 P588 L589	P479-L586 HydrophobicContact CB-CD1 3.91Å; P479-L586 HydrophobicContact CB-CD2 3.81Å; P479-L586 HydrophobicContact CB-CG 4.43Å; P479-L586 HydrophobicContact CG-CD1 4.25Å; K562-L586 HydrophobicContact CB-CD1 4.45Å; V565-L586 HydrophobicContact CB-CD1 4.2Å; V565-L586 HydrophobicContact CG1-CB 4.01Å; V565-L586 HydrophobicContact CG1-CD1 4.15Å; Q566-L586 HydrophobicContact CB-CD1 4.27Å; M569-L586 HydrophobicContact SD-CB 3.95Å; A583-L586 HydrophobicContact CB-CB 4.05Å; A583-L586 HydrophobicContact CB-CD1 3.92Å; A583-L586 HydrophobicContact CB-CG 4.06Å; A583-L586 PolarHBondContact O-N 3.28Å; L586-P588 VanDerWaalsContact C-CD 3.42Å; L586-L589 HydrophobicContact CD2-CD1 4.36Å; L586-L589 WeakPolarHBondContact O-CB 3.41Å; L586-L589 PolarHBondContact O-N 3.36Å
587	T	76.4	Confident	73.7	Confident	4 Å²	4	72.6 Å²	72.6	3%	0.025	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-58	-36.1	-176.2	45.4	0	0	0	0	114.7	V565 G579 D580 A583 L589 K590 W593	V565-T587 HydrophobicContact CG1-CG2 4.41Å; G579-T587 VanDerWaalsContact C-CG2 3.45Å; G579-T587 WeakPolarHBondContact O-CG2 3.47Å; D580-T587 WeakPolarHBondContact OD1-CB 3.33Å; D580-T587 PolarHBondContact OD1-OG1 3.05Å; A583-T587 PolarHBondContact O-N 3.44Å; A583-T587 PolarHBondContact O-OG1 2.93Å; T587-L589 PolarHBondContact O-N 3.11Å; T587-K590 PolarHBondContact O-N 3.47Å; T587-W593 HydrophobicContact CG2-CE3 4.38Å
588	P	77.8	Confident	71.6	Confident	80 Å²	80	72.3 Å²	72.3	52%	0.519	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-69.7	-18.5	177.5	-20.3	35.5	0	0	0	114	P584 L586 K590	P584-P588 WeakPolarHBondContact O-CD 3.48Å; P584-P588 VanDerWaalsContact O-CG 3.32Å; P584-P588 WeakPolarHBondContact O-CG 3.28Å; L586-P588 VanDerWaalsContact C-CD 3.42Å; P588-K590 PolarHBondContact O-N 3.07Å
589	L	77	Confident	69.3	Low	118 Å²	118	71 Å²	71	62%	0.618	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-75	-13.9	-176.8	-59.2	176.7	0	0	0	112.8	M569 L586 T587 P591	M569-L589 HydrophobicContact CE-CB 3.76Å; L586-L589 HydrophobicContact CD2-CD1 4.36Å; L586-L589 WeakPolarHBondContact O-CB 3.41Å; L586-L589 PolarHBondContact O-N 3.36Å; T587-L589 PolarHBondContact O-N 3.11Å; L589-P591 WeakPolarHBondContact O-CD 3.5Å
590	K	77.8	Confident	67.3	Low	17 Å²	17	79.4 Å²	79.4	7%	0.074	46%	0.457	C	S	.	.			trans	-108.5	103.3	176.4	-175.1	159.9	170.8	-174.1	0	110.1	M569 N572 F573 T587 P588 S592 W593	M569-K590 HydrophobicContact CB-CD 4.33Å; M569-K590 HydrophobicContact CE-CB 4.12Å; M569-K590 HydrophobicContact CG-CD 4.19Å; N572-K590 VanDerWaalsContact OD1-CE 3.29Å; N572-K590 WeakPolarHBondContact OD1-CE 3.49Å; N572-K590 PolarHBondContact OD1-NZ 2.78Å; F573-K590 PolarHBondContact O-NZ 3.44Å; T587-K590 PolarHBondContact O-N 3.47Å; P588-K590 PolarHBondContact O-N 3.07Å; K590-S592 VanDerWaalsContact C-N 3.26Å; K590-S592 VanDerWaalsContact CE-OG 3.3Å; K590-S592 WeakPolarHBondContact CE-OG 3.37Å; K590-S592 WeakPolarHBondContact CG-OG 3.29Å; K590-S592 PolarHBondContact O-N 3.44Å; K590-S592 VanDerWaalsContact O-N 3.16Å; K590-W593 HydrophobicContact CB-CB 4.45Å; K590-W593 HydrophobicContact CB-CD2 4.02Å; K590-W593 HydrophobicContact CB-CE3 3.94Å; K590-W593 HydrophobicContact CB-CG 4.24Å; K590-W593 HydrophobicContact CD-CD2 3.65Å; K590-W593 HydrophobicContact CD-CE3 4.07Å; K590-W593 HydrophobicContact CD-CG 4.09Å; K590-W593 HydrophobicContact CD-CH2 4.25Å; K590-W593 HydrophobicContact CD-CZ2 3.83Å; K590-W593 HydrophobicContact CD-CZ3 4.36Å; K590-W593 HydrophobicContact CG-CD2 3.97Å; K590-W593 HydrophobicContact CG-CE3 4.36Å; K590-W593 HydrophobicContact CG-CG 4.01Å; K590-W593 WeakPolarHBondContact O-CB 3.45Å; K590-W593 PolarHBondContact O-N 2.91Å
591	P	76.4	Confident	65.2	Low	102 Å²	102	83.8 Å²	83.8	66%	0.662	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-56.6	-36.1	-174.5	-28.2	35.3	0	0	0	114.3	L589 W593 C594 T595	L589-P591 WeakPolarHBondContact O-CD 3.5Å; P591-W593 PolarHBondContact O-N 3.26Å; P591-W593 VanDerWaalsContact O-N 3.15Å; P591-C594 PolarHBondContact O-N 3.45Å; P591-T595 PolarHBondContact O-N 2.97Å
592	S	79.1	Confident	63	Low	70 Å²	70	82 Å²	82	49%	0.49	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-66	-13.4	178.9	57.7	0	0	0	0	114.4	K590	K590-S592 VanDerWaalsContact C-N 3.26Å; K590-S592 VanDerWaalsContact CE-OG 3.3Å; K590-S592 WeakPolarHBondContact CE-OG 3.37Å; K590-S592 WeakPolarHBondContact CG-OG 3.29Å; K590-S592 PolarHBondContact O-N 3.44Å; K590-S592 VanDerWaalsContact O-N 3.16Å
593	W	80.9	Confident	60.8	Low	25 Å²	25	88 Å²	88	10%	0.095	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-97	-6.4	175.6	-69.2	-5.7	0	0	0	113.5	V565 C568 M569 F573 K575 T587 K590 P591	V565-W593 HydrophobicContact CG1-CZ3 4.2Å; C568-W593 HydrophobicContact CB-CH2 3.87Å; C568-W593 HydrophobicContact CB-CZ2 4.17Å; M569-W593 HydrophobicContact CB-CH2 4.16Å; M569-W593 HydrophobicContact CB-CZ3 4.47Å; M569-W593 HydrophobicContact CG-CE3 4.13Å; M569-W593 HydrophobicContact CG-CH2 3.26Å; M569-W593 HydrophobicContact CG-CZ2 4.22Å; M569-W593 HydrophobicContact CG-CZ3 3.2Å; M569-W593 HydrophobicContact SD-CZ3 4.06Å; F573-W593 VanDerWaalsContact O-CZ2 3.31Å; F573-W593 WeakPolarHBondContact O-CZ2 3.49Å; F573-W593 PolarHBondContact O-NE1 3.09Å; K575-W593 HydrophobicContact CB-CB 4.35Å; K575-W593 HydrophobicContact CB-CD2 3.81Å; K575-W593 HydrophobicContact CB-CE3 4.43Å; K575-W593 HydrophobicContact CB-CG 3.79Å; K575-W593 HydrophobicContact CD-CB 4.04Å; K575-W593 HydrophobicContact CD-CG 4.34Å; K575-W593 HydrophobicContact CG-CB 4.28Å; K575-W593 HydrophobicContact CG-CD2 3.92Å; K575-W593 HydrophobicContact CG-CE3 4.07Å; K575-W593 HydrophobicContact CG-CG 4.06Å; K575-W593 PolarHBondContact NZ-O 3.34Å; T587-W593 HydrophobicContact CG2-CE3 4.38Å; K590-W593 HydrophobicContact CB-CB 4.45Å; K590-W593 HydrophobicContact CB-CD2 4.02Å; K590-W593 HydrophobicContact CB-CE3 3.94Å; K590-W593 HydrophobicContact CB-CG 4.24Å; K590-W593 HydrophobicContact CD-CD2 3.65Å; K590-W593 HydrophobicContact CD-CE3 4.07Å; K590-W593 HydrophobicContact CD-CG 4.09Å; K590-W593 HydrophobicContact CD-CH2 4.25Å; K590-W593 HydrophobicContact CD-CZ2 3.83Å; K590-W593 HydrophobicContact CD-CZ3 4.36Å; K590-W593 HydrophobicContact CG-CD2 3.97Å; K590-W593 HydrophobicContact CG-CE3 4.36Å; K590-W593 HydrophobicContact CG-CG 4.01Å; K590-W593 WeakPolarHBondContact O-CB 3.45Å; K590-W593 PolarHBondContact O-N 2.91Å; P591-W593 PolarHBondContact O-N 3.26Å; P591-W593 VanDerWaalsContact O-N 3.15Å
594	C	68.1	Low	58.7	Low	68 Å²	68	91.9 Å²	91.9	46%	0.459	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-20.9	-178.1	-60.7	0	0	0	0	112.8	P591 N596	P591-C594 PolarHBondContact O-N 3.45Å; C594-N596 PolarHBondContact O-N 3.15Å; C594-N596 VanDerWaalsContact O-N 3.16Å
595	T	56.9	Low	56.1	Low	91 Å²	91	94 Å²	94	56%	0.558	56%	0.562	S	S	*	*	S	Bend	trans	-71.1	106.7	171.9	45	0	0	0	0	109.2	P591 N597	P591-T595 PolarHBondContact O-N 2.97Å; T595-N597 PolarHBondContact O-N 3.45Å
596	N	44.3	Very low	53.9	Low	137 Å²	137	95.4 Å²	95.4	73%	0.733	58%	0.578	S	S	*	*			trans	-56.3	108.1	161	-73.4	-16	0	0	0	107	C594 E598	C594-N596 PolarHBondContact O-N 3.15Å; C594-N596 VanDerWaalsContact O-N 3.16Å; N596-E598 HydrophobicContact CB-CG 4.35Å; N596-E598 PolarHBondContact O-N 3.28Å
597	N	42.7	Very low	51.6	Low	158 Å²	158	101 Å²	101	85%	0.845	62%	0.617	S	S	*	*			trans	-68.2	72.4	158.2	-86.2	-11.5	0	0	0	107.4	T595	T595-N597 PolarHBondContact O-N 3.45Å
598	E	38.5	Very low	49.3	Very low	162 Å²	162	109.8 Å²	109.8	76%	0.757	66%	0.655	S	S	*	*			trans	-65.1	123.4	147.7	-69.9	-172.6	175.3	0	0	105.3	N596 E600	N596-E598 HydrophobicContact CB-CG 4.35Å; N596-E598 PolarHBondContact O-N 3.28Å; E598-E600 PolarHBondContact O-N 2.98Å; E598-E600 VanDerWaalsContact O-N 3.08Å
599	G	35.5	Very low	47	Very low	74 Å²	74	115 Å²	115	76%	0.763	67%	0.673	S	S	*	*			trans	-52.5	117.5	-172.6	0	0	0	0	0	112	D601	G599-D601 PolarHBondContact O-N 2.65Å
600	E	34.3	Very low	44.5	Very low	177 Å²	177	116.2 Å²	116.2	83%	0.827	69%	0.686	S	S	*	*			trans	-64.8	85.5	154.7	-72.5	-177	157.2	0	0	107.8	E598 S602	E598-E600 PolarHBondContact O-N 2.98Å; E598-E600 VanDerWaalsContact O-N 3.08Å; E600-S602 PolarHBondContact O-N 3.33Å
601	D	35.8	Very low	42	Very low	173 Å²	173	122.9 Å²	122.9	93%	0.925	72%	0.722	S	S	*	*			trans	-68	67.8	143.4	-80.8	-27.7	0	0	0	107	G599	G599-D601 PolarHBondContact O-N 2.65Å
602	S	31.8	Very low	39.7	Very low	86 Å²	86	123.9 Å²	123.9	60%	0.601	73%	0.726	S	S	*	*			trans	-97	93.4	163.9	70.9	0	0	0	0	107.4	E600 G604	E600-S602 PolarHBondContact O-N 3.33Å; S602-G604 PolarHBondContact O-N 2.86Å
603	D	32.8	Very low	37.1	Very low	164 Å²	164	128.9 Å²	128.9	88%	0.877	74%	0.741	S	S	*	*			trans	-45.3	127.6	162	-90.4	-36.5	0	0	0	109.7	C605	D603-C605 PolarHBondContact O-N 2.82Å
604	G	32.5	Very low	34.4	Very low	81 Å²	81	135 Å²	135	84%	0.835	77%	0.773	S	S	*	*			trans	-60	125.5	172.4	0	0	0	0	0	110.5	S602	S602-G604 PolarHBondContact O-N 2.86Å
605	C	26	Very low	32.4	Very low	121 Å²	121	139.5 Å²	139.5	82%	0.818	79%	0.792	S	S	*	*			trans	-142.9	125.9	153.1	-163.5	0	0	0	0	110.7	D603	D603-C605 PolarHBondContact O-N 2.82Å
606	S	29.8	Very low	30.9	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	80%	0.803	S	S	*	*			trans	-43.9	139.6	179.5	57.1	0	0	0	0	114.6	K608	S606-K608 PolarHBondContact O-N 2.93Å; S606-K608 VanDerWaalsContact O-N 3.11Å
607	S	29.1	Very low	30.3	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	81%	0.81	S	S	*	*			trans	-47.2	108	158.5	50.2	0	0	0	0	112.2
608	K	27.7	Very low	29.5	Very low	189 Å²	189	141.4 Å²	141.4	82%	0.822	81%	0.812	S	S	*	*			trans	-139.1	122.5	151.5	-81.1	-168.2	177.4	177.9	0	109.3	S606	S606-K608 PolarHBondContact O-N 2.93Å; S606-K608 VanDerWaalsContact O-N 3.11Å
609	E	29.8	Very low	29.1	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	82%	0.819	S	S	*	*			trans	-51.9	138.8	167.3	-62.6	170	141.5	0	0	110.9
610	T	25.5	Very low	28.7	Very low	145 Å²	145	144.9 Å²	144.9	89%	0.89	82%	0.822	S	S	*	*			trans	-171.7	151.7	137.1	15	0	0	0	0	112.5
611	N	25.4	Very low	28.5	Very low	157 Å²	157	146.5 Å²	146.5	84%	0.84	83%	0.827	S	S	*	*			trans	-62.2	151.5	-168.1	-76.2	-43.2	0	0	0	117.2
612	V	27.1	Very low	28.1	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	82%	0.824	S	S	*	*			trans	-19.6	127	150	-179.8	0	0	0	0	116
613	H	24.7	Very low	27.9	Very low	175 Å²	175	149.1 Å²	149.1	81%	0.81	83%	0.834	S	S	*	*				-175.2	164	115.4	-116.9	-17.2	0	0	0	115.5
614	M	25.2	Very low	27.7	Very low	154 Å²	154	148.6 Å²	148.6	76%	0.759	83%	0.83	S	S	*	*			trans	-74	160.1	-161.9	-70.1	-174.9	-179.4	0	0	118.4
615	N	24.8	Very low	27.4	Very low	162 Å²	162	152 Å²	152	87%	0.866	83%	0.829	S	S	*	*			trans	73.9	127.2	142.8	-74.6	-15.2	0	0	0	121.3
616	G	25.9	Very low	27.6	Very low	77 Å²	77	155 Å²	155	79%	0.794	83%	0.828	S	S	*	*			trans	164.2	90.1	157.5	0	0	0	0	0	115.3
617	V	31.2	Very low	28	Very low	142 Å²	142	163.4 Å²	163.4	86%	0.861	86%	0.858	S	S	*	*			trans	-60.3	135	169.2	172.5	0	0	0	0	111.4
618	K	26.7	Very low	27.9	Very low	206 Å²	206	165.6 Å²	165.6	90%	0.896	86%	0.859	S	S	*	*			trans	-164.2	122	141	-107.9	170.1	-170.2	-178	0	112.6
619	K	30.1	Very low	27.9	Very low	208 Å²	208	164.4 Å²	164.4	90%	0.904	86%	0.861	S	S	*	*			trans	-67.4	140.4	169.4	-77.2	174.6	170.8	174.7	0	111
620	A	27.3	Very low	27.8	Very low	101 Å²	101	163 Å²	163	84%	0.835	86%	0.859	S	S	*	*			trans	-147.5	134.1	150.4	0	0	0	0	0	110.5
621	K	28.8	Very low	27.9	Very low	211 Å²	211	164.1 Å²	164.1	92%	0.917	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-73.3	139.9	-174.2	-70.9	166.7	166.4	176.3	0	111.4
622	T	27.8	Very low	28.1	Very low	140 Å²	140	164.5 Å²	164.5	86%	0.859	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-101.8	118.7	164	-43.5	0	0	0	0	109.1
623	Q	28.4	Very low	28.2	Very low	175 Å²	175	167.3 Å²	167.3	82%	0.818	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-72.9	128.1	167.7	-83.1	176	-33.9	0	0	109.4
624	L	29	Very low	28.4	Very low	152 Å²	152	166.7 Å²	166.7	80%	0.796	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-83.7	116.8	163.3	-83.2	151.4	0	0	0	108.1	F626	L624-F626 HydrophobicContact CD2-CE2 4.47Å
625	N	25.9	Very low	28.7	Very low	152 Å²	152	167.7 Å²	167.7	81%	0.813	88%	0.879	S	S	*	*			trans	-106	117.2	162.3	-87.3	-9.2	0	0	0	108.2
626	F	30.1	Very low	29	Very low	184 Å²	184	168.2 Å²	168.2	81%	0.807	88%	0.88	S	S	*	*			trans	-93.1	127	161.4	-87.8	-88.6	0	0	0	108.5	L624	L624-F626 HydrophobicContact CD2-CE2 4.47Å
627	Q	36.8	Very low	29.3	Very low	270 Å²	270	176.5 Å²	176.5	100%	1.262	89%	0.888	S	S	*	*			trans	-135.7	0	141.9	-89.6	-167.1	-19.5	0	0	108.4

Retrieved 627 of 627 residues in 1042.5 ms (Link to these results)

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